A0A096N191_PAPAN Loading...

Receptor transporter protein 5 (putative)

AlphaFold DB , UniProt , Accession A0A096N191, Species PAPAN (Papio anubis, Olive baboon), Gene RTP5, Length 576 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
1M60.2Low75.3Confident37 Ų3746.9 Ų46.918%0.18232%0.316CS..  0139.10-168168.9175.600108.2G5 W9 P30 H32 M87 I89 D102 Q104M1-G5 WeakPolarHBondContact CE-O 3.16Å; M1-W9 HydrophobicContact CE-CB 4.44Å; M1-W9 HydrophobicContact CE-CG 3.88Å; M1-P30 HydrophobicContact SD-CB 4.28Å; M1-H32 PolarHBondContact N-NE2 2.69Å; M1-H32 PolarHBondContact O-CE1 3.17Å; M1-H32 PolarHBondContact O-NE2 3.5Å; M1-M87 HydrophobicContact CE-CE 4.35Å; M1-M87 HydrophobicContact SD-CE 4.44Å; M1-I89 HydrophobicContact CE-CD1 4.11Å; M1-I89 HydrophobicContact SD-CD1 3.89Å; M1-D102 PolarHBondContact N-OD2 2.82Å; M1-Q104 VanDerWaalsContact CA-OE1 3.22Å
2D61.9Low76.5Confident78 Ų7846.2 Ų46.242%0.41731%0.309SS..  trans-85.5172.4178.771.247000112.6A4 G5 A6 Q104D2-A4 PolarHBondContact OD1-N 3.32Å; D2-G5 PolarHBondContact OD1-N 3.33Å; D2-A6 WeakPolarHBondContact O-CB 3.45Å; D2-A6 PolarHBondContact O-N 3.02Å; D2-Q104 PolarHBondContact OD2-NE2 2.79Å
3G65.1Low77.7Confident45 Ų4542.6 Ų42.646%0.46429%0.285SS..Hα-helixtrans-64.4-43.3-17800000113.6G5 A6 D7G3-G5 VanDerWaalsContact C-N 3.35Å; G3-G5 PolarHBondContact O-N 3.42Å; G3-A6 WeakPolarHBondContact O-CA 3.45Å; G3-A6 WeakPolarHBondContact O-CB 3.47Å; G3-A6 PolarHBondContact O-N 2.84Å; G3-D7 PolarHBondContact O-N 2.85Å
4A64.4Low78.7Confident76 Ų7644.1 Ų44.163%0.62829%0.293SS*.Hα-helixtrans-66.5-38.3-178.100000111.8D2 M8D2-A4 PolarHBondContact OD1-N 3.32Å; A4-M8 WeakPolarHBondContact O-CB 3.12Å; A4-M8 PolarHBondContact O-N 3.29Å
5G69.1Low79.6Confident14 Ų1448.3 Ų48.314%0.14431%0.311CS..Hα-helixtrans-64.1-40.7169.600000112.3M1 D2 G3 M8 W9M1-G5 WeakPolarHBondContact CE-O 3.16Å; D2-G5 PolarHBondContact OD1-N 3.33Å; G3-G5 VanDerWaalsContact C-N 3.35Å; G3-G5 PolarHBondContact O-N 3.42Å; G5-M8 PolarHBondContact O-N 2.9Å; G5-W9 PolarHBondContact O-N 3.34Å
6A74.9Confident80.2Confident19 Ų1946.9 Ų46.916%0.15731%0.305CS..Hα-helixtrans-64.4-48.7179.200000112.5D2 G3 M8 W9 A10 P30D2-A6 WeakPolarHBondContact O-CB 3.45Å; D2-A6 PolarHBondContact O-N 3.02Å; G3-A6 WeakPolarHBondContact O-CA 3.45Å; G3-A6 WeakPolarHBondContact O-CB 3.47Å; G3-A6 PolarHBondContact O-N 2.84Å; A6-M8 VanDerWaalsContact C-N 3.25Å; A6-M8 PolarHBondContact O-N 3.39Å; A6-W9 PolarHBondContact O-N 2.97Å; A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.36Å; A6-P30 HydrophobicContact CB-CB 4.27Å; A6-P30 HydrophobicContact CB-CG 3.74Å
7D80.4Confident80.9Confident112 Ų11244.3 Ų44.360%0.59929%0.287SS*.Hα-helixtrans-59.9-36.1178.9-65.1-27.6000111.8G3 S11G3-D7 PolarHBondContact O-N 2.85Å; D7-S11 VanDerWaalsContact O-CB 3.27Å; D7-S11 WeakPolarHBondContact O-CB 3.43Å; D7-S11 PolarHBondContact O-N 2.82Å; D7-S11 PolarHBondContact O-OG 2.85Å
8M84.9Confident81.4Confident43 Ų4344.4 Ų44.421%0.21229%0.292CS..Hα-helixtrans-67.5-42.3177.9-175.7-174.87500113.1A4 G5 A6 S11 T12 P107 E110A4-M8 WeakPolarHBondContact O-CB 3.12Å; A4-M8 PolarHBondContact O-N 3.29Å; G5-M8 PolarHBondContact O-N 2.9Å; A6-M8 VanDerWaalsContact C-N 3.25Å; A6-M8 PolarHBondContact O-N 3.39Å; M8-S11 WeakPolarHBondContact CA-OG 3.36Å; M8-S11 PolarHBondContact O-OG 3.47Å; M8-T12 VanDerWaalsContact O-CB 3.27Å; M8-T12 WeakPolarHBondContact O-CB 3.47Å; M8-T12 PolarHBondContact O-N 2.88Å; M8-T12 VanDerWaalsContact O-N 3.09Å; M8-T12 PolarHBondContact O-OG1 3.07Å; M8-P107 HydrophobicContact CE-CB 3.85Å; M8-P107 HydrophobicContact CE-CG 4.03Å; M8-P107 HydrophobicContact SD-CB 3.52Å; M8-P107 VanDerWaalsContact SD-CB 3.52Å; M8-P107 HydrophobicContact SD-CG 3.63Å; M8-E110 HydrophobicContact CE-CG 4.42Å
9W87.9Confident81.9Confident1 Ų149.4 Ų49.40%0.00431%0.311CS..Hα-helixtrans-68.7-42174.7-82.672000111.3M1 G5 A6 F13 L28 V70 M87 I89 V105 E110 F113 L114M1-W9 HydrophobicContact CE-CB 4.44Å; M1-W9 HydrophobicContact CE-CG 3.88Å; G5-W9 PolarHBondContact O-N 3.34Å; A6-W9 PolarHBondContact O-N 2.97Å; W9-F13 VanDerWaalsContact O-CB 3.25Å; W9-F13 WeakPolarHBondContact O-CB 3.4Å; W9-F13 PolarHBondContact O-N 3Å; W9-L28 HydrophobicContact CB-CD2 4.26Å; W9-V70 HydrophobicContact CH2-CG2 4.46Å; W9-M87 HydrophobicContact CB-CE 4.31Å; W9-M87 HydrophobicContact CD2-CE 3.63Å; W9-M87 HydrophobicContact CD2-SD 4.1Å; W9-M87 HydrophobicContact CE3-CE 3.53Å; W9-M87 HydrophobicContact CE3-SD 3.36Å; W9-M87 HydrophobicContact CG-CE 4.01Å; W9-M87 HydrophobicContact CZ3-CE 4.05Å; W9-M87 HydrophobicContact CZ3-SD 3.65Å; W9-I89 HydrophobicContact CH2-CD1 4.31Å; W9-I89 HydrophobicContact CZ2-CD1 3.73Å; W9-V105 HydrophobicContact CZ2-CB 3.95Å; W9-V105 HydrophobicContact CZ2-CG1 3.93Å; W9-V105 HydrophobicContact CZ2-CG2 4.11Å; W9-E110 HydrophobicContact CD2-CB 3.63Å; W9-E110 HydrophobicContact CE3-CB 4.08Å; W9-E110 HydrophobicContact CG-CB 4.16Å; W9-E110 HydrophobicContact CH2-CB 3.98Å; W9-E110 HydrophobicContact CZ2-CB 3.49Å; W9-E110 VanDerWaalsContact CZ2-CB 3.49Å; W9-E110 HydrophobicContact CZ3-CB 4.24Å; W9-F113 HydrophobicContact CH2-CB 3.74Å; W9-F113 HydrophobicContact CH2-CD2 4.16Å; W9-F113 AromaticContact CH2-CG 3.98Å; W9-F113 HydrophobicContact CH2-CG 3.98Å; W9-F113 HydrophobicContact CZ3-CB 3.85Å; W9-L114 HydrophobicContact CE3-CD1 4.21Å; W9-L114 HydrophobicContact CE3-CD2 3.69Å; W9-L114 HydrophobicContact CE3-CG 3.85Å; W9-L114 HydrophobicContact CZ3-CD2 4.02Å; W9-L114 HydrophobicContact CZ3-CG 4.05Å
10A90.3Very high82.1Confident22 Ų2254.5 Ų54.518%0.18232%0.324CS..Hα-helixtrans-62.8-47.8178.300000112.2A6 T14 L28A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.36Å; A10-T14 WeakPolarHBondContact O-CB 3.17Å; A10-T14 PolarHBondContact O-N 2.93Å; A10-T14 PolarHBondContact O-OG1 3.02Å; A10-L28 WeakPolarHBondContact CB-O 3.24Å
11S89.2Confident82.4Confident69 Ų6953.8 Ų53.848%0.48332%0.317SS..Hα-helixtrans-66.1-45.8178.852.70000112.9D7 M8 F13 T14 L15D7-S11 VanDerWaalsContact O-CB 3.27Å; D7-S11 WeakPolarHBondContact O-CB 3.43Å; D7-S11 PolarHBondContact O-N 2.82Å; D7-S11 PolarHBondContact O-OG 2.85Å; M8-S11 WeakPolarHBondContact CA-OG 3.36Å; M8-S11 PolarHBondContact O-OG 3.47Å; S11-F13 VanDerWaalsContact C-N 3.32Å; S11-F13 PolarHBondContact O-N 2.68Å; S11-T14 PolarHBondContact O-N 3.34Å; S11-L15 PolarHBondContact O-N 3.2Å
12T89.4Confident83.7Confident38 Ų3856.9 Ų56.923%0.23334%0.34CS..Hα-helixtrans-62.3-39.4177.9-54.70000111.5M8 A16 E110 L114M8-T12 VanDerWaalsContact O-CB 3.27Å; M8-T12 WeakPolarHBondContact O-CB 3.47Å; M8-T12 PolarHBondContact O-N 2.88Å; M8-T12 VanDerWaalsContact O-N 3.09Å; M8-T12 PolarHBondContact O-OG1 3.07Å; T12-A16 WeakPolarHBondContact O-CB 3.42Å; T12-A16 PolarHBondContact O-N 2.89Å; T12-A16 VanDerWaalsContact O-N 3.15Å; T12-E110 HydrophobicContact CG2-CG 4.48Å; T12-L114 HydrophobicContact CG2-CD1 3.63Å
13F92.5Very high84.9Confident0 Ų060.7 Ų60.70%036%0.355CS..Hα-helixtrans-66.8-45.5174.4174.7-107.3000112.6W9 S11 L15 A16 M17 W26 L28 V85 L114 L117 V118 I121W9-F13 VanDerWaalsContact O-CB 3.25Å; W9-F13 WeakPolarHBondContact O-CB 3.4Å; W9-F13 PolarHBondContact O-N 3Å; S11-F13 VanDerWaalsContact C-N 3.32Å; S11-F13 PolarHBondContact O-N 2.68Å; F13-L15 VanDerWaalsContact C-N 3.3Å; F13-L15 PolarHBondContact O-N 2.9Å; F13-A16 PolarHBondContact O-N 3.1Å; F13-M17 HydrophobicContact CD2-CG 4.12Å; F13-M17 HydrophobicContact CE1-CG 4.05Å; F13-M17 HydrophobicContact CE2-CG 3.55Å; F13-M17 HydrophobicContact CE2-SD 4.18Å; F13-M17 HydrophobicContact CZ-CG 3.53Å; F13-M17 HydrophobicContact CZ-SD 4.36Å; F13-M17 PolarHBondContact O-N 3.24Å; F13-W26 HydrophobicContact CE1-CB 3.85Å; F13-W26 HydrophobicContact CE1-CE3 4.32Å; F13-W26 HydrophobicContact CZ-CB 4.18Å; F13-W26 HydrophobicContact CZ-CD2 4.44Å; F13-W26 AromaticContact CZ-CE3 3.91Å; F13-W26 HydrophobicContact CZ-CE3 3.91Å; F13-L28 HydrophobicContact CB-CB 4.17Å; F13-L28 HydrophobicContact CB-CD1 3.97Å; F13-L28 HydrophobicContact CD1-CB 3.37Å; F13-L28 HydrophobicContact CD1-CD1 4.14Å; F13-L28 HydrophobicContact CD1-CG 4.41Å; F13-L28 HydrophobicContact CD2-CD1 4.24Å; F13-L28 HydrophobicContact CE1-CB 3.9Å; F13-L28 HydrophobicContact CG-CB 3.91Å; F13-L28 HydrophobicContact CG-CD1 3.84Å; F13-V85 HydrophobicContact CE1-CG2 4.06Å; F13-V85 HydrophobicContact CE2-CG2 4.48Å; F13-V85 HydrophobicContact CZ-CG2 3.68Å; F13-L114 HydrophobicContact CB-CD1 4.31Å; F13-L114 HydrophobicContact CB-CD2 3.88Å; F13-L114 HydrophobicContact CD2-CD2 4.14Å; F13-L114 HydrophobicContact CG-CD2 4.39Å; F13-L117 HydrophobicContact CD2-CD2 3.64Å; F13-L117 HydrophobicContact CE2-CD2 3.44Å; F13-L117 VanDerWaalsContact CE2-CD2 3.44Å; F13-L117 HydrophobicContact CE2-CG 4Å; F13-L117 HydrophobicContact CZ-CD2 4.24Å; F13-V118 HydrophobicContact CD2-CG2 4.18Å; F13-V118 HydrophobicContact CE2-CG2 4.15Å; F13-I121 HydrophobicContact CE2-CD1 3.68Å; F13-I121 HydrophobicContact CZ-CD1 3.64Å
14T91.9Very high86.1Confident64 Ų6459 Ų5939%0.39334%0.336SS..Hα-helixtrans-61.2-41.3-178.9-55.90000110.8A10 S11 A18A10-T14 WeakPolarHBondContact O-CB 3.17Å; A10-T14 PolarHBondContact O-N 2.93Å; A10-T14 PolarHBondContact O-OG1 3.02Å; S11-T14 PolarHBondContact O-N 3.34Å; T14-A18 VanDerWaalsContact O-CB 3.28Å; T14-A18 WeakPolarHBondContact O-CB 3.21Å; T14-A18 PolarHBondContact O-N 2.86Å
15L91.4Very high87.4Confident107 Ų10759.5 Ų59.556%0.5633%0.33SS*.Hα-helixtrans-61.7-51.9173.9-178.363.3000111.7S11 F13 M17 A18 E19S11-L15 PolarHBondContact O-N 3.2Å; F13-L15 VanDerWaalsContact C-N 3.3Å; F13-L15 PolarHBondContact O-N 2.9Å; L15-M17 VanDerWaalsContact C-N 3.28Å; L15-M17 PolarHBondContact O-N 2.9Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-A18 VanDerWaalsContact O-N 3.11Å; L15-E19 WeakPolarHBondContact O-CG 3.4Å; L15-E19 PolarHBondContact O-N 3.03Å
16A89.7Confident88.6Confident26 Ų2659.1 Ų59.122%0.21533%0.325CS..Hα-helixtrans-63.5-30.4-178.500000113.5T12 F13 R20 V118T12-A16 WeakPolarHBondContact O-CB 3.42Å; T12-A16 PolarHBondContact O-N 2.89Å; T12-A16 VanDerWaalsContact O-N 3.15Å; F13-A16 PolarHBondContact O-N 3.1Å; A16-R20 WeakPolarHBondContact O-CG 3.46Å; A16-V118 HydrophobicContact CB-CG2 4.01Å
17M92.8Very high89.4Confident2 Ų261.2 Ų61.21%0.0134%0.335CS..Hα-helixtrans-76.3-40171.1-75.1-54.7-55.200112.4F13 L15 E19 R20 K21 W26 V118 I121 Y126F13-M17 HydrophobicContact CD2-CG 4.12Å; F13-M17 HydrophobicContact CE1-CG 4.05Å; F13-M17 HydrophobicContact CE2-CG 3.55Å; F13-M17 HydrophobicContact CE2-SD 4.18Å; F13-M17 HydrophobicContact CZ-CG 3.53Å; F13-M17 HydrophobicContact CZ-SD 4.36Å; F13-M17 PolarHBondContact O-N 3.24Å; L15-M17 VanDerWaalsContact C-N 3.28Å; L15-M17 PolarHBondContact O-N 2.9Å; M17-E19 VanDerWaalsContact C-N 3.33Å; M17-E19 PolarHBondContact O-N 2.82Å; M17-R20 PolarHBondContact O-N 3.05Å; M17-R20 VanDerWaalsContact O-N 3.1Å; M17-K21 HydrophobicContact CE-CG 4.36Å; M17-K21 PolarHBondContact O-N 3.05Å; M17-W26 HydrophobicContact CB-CB 3.85Å; M17-W26 HydrophobicContact CB-CG 4.22Å; M17-W26 HydrophobicContact CE-CD2 4.07Å; M17-W26 HydrophobicContact CE-CG 3.84Å; M17-W26 HydrophobicContact CG-CB 3.84Å; M17-W26 HydrophobicContact CG-CG 4.02Å; M17-V118 HydrophobicContact CG-CG2 4.25Å; M17-V118 HydrophobicContact SD-CB 4.17Å; M17-V118 HydrophobicContact SD-CG1 3.87Å; M17-V118 HydrophobicContact SD-CG2 3.78Å; M17-I121 HydrophobicContact CE-CG2 3.66Å; M17-I121 HydrophobicContact SD-CB 4.48Å; M17-I121 HydrophobicContact SD-CD1 4.18Å; M17-I121 HydrophobicContact SD-CG2 4.15Å; M17-Y126 HydrophobicContact CE-CE2 4.48Å
18A90Very high90Very high46 Ų4655.9 Ų55.938%0.3831%0.307SS..Hα-helixtrans-62.9-37.5177.100000112.4T14 L15 R20 P22T14-A18 VanDerWaalsContact O-CB 3.28Å; T14-A18 WeakPolarHBondContact O-CB 3.21Å; T14-A18 PolarHBondContact O-N 2.86Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-A18 VanDerWaalsContact O-N 3.11Å; A18-R20 VanDerWaalsContact C-N 3.25Å; A18-R20 PolarHBondContact O-N 3.03Å; A18-P22 VanDerWaalsContact O-CA 3.26Å; A18-P22 WeakPolarHBondContact O-CA 3.33Å; A18-P22 WeakPolarHBondContact O-CB 3.31Å; A18-P22 WeakPolarHBondContact O-CD 3.45Å
19E89.8Confident90.3Very high139 Ų13957.8 Ų57.865%0.6532%0.317SS*.Hα-helixtrans-59.7-32.9172.5-74.2174.4-170.500113.1L15 M17L15-E19 WeakPolarHBondContact O-CG 3.4Å; L15-E19 PolarHBondContact O-N 3.03Å; M17-E19 VanDerWaalsContact C-N 3.33Å; M17-E19 PolarHBondContact O-N 2.82Å
20R86.5Confident90.1Very high152 Ų15259.3 Ų59.357%0.57433%0.327SS*.Hα-helixtrans-97.9-31.2-173.8-63.5-66.9-178.5150.4-0.2113.6A16 M17 A18 V118 L122A16-R20 WeakPolarHBondContact O-CG 3.46Å; M17-R20 PolarHBondContact O-N 3.05Å; M17-R20 VanDerWaalsContact O-N 3.1Å; A18-R20 VanDerWaalsContact C-N 3.25Å; A18-R20 PolarHBondContact O-N 3.03Å; R20-V118 HydrophobicContact CG-CG1 4.17Å; R20-L122 HydrophobicContact CB-CD1 4.21Å; R20-L122 HydrophobicContact CB-CD2 4.26Å; R20-L122 HydrophobicContact CG-CD1 4.16Å
21K88.6Confident89.8Confident40 Ų4060.6 Ų60.617%0.17433%0.33CS..  trans-142.968-176-64.7-65.9179.9-175.60110M17 Q23 D24 L122 Y126 D128M17-K21 HydrophobicContact CE-CG 4.36Å; M17-K21 PolarHBondContact O-N 3.05Å; K21-Q23 PolarHBondContact O-N 2.87Å; K21-D24 HydrophobicContact CB-CB 4.03Å; K21-D24 PolarHBondContact O-N 3.35Å; K21-L122 HydrophobicContact CD-CD2 4.28Å; K21-L122 HydrophobicContact CG-CD2 3.92Å; K21-Y126 HydrophobicContact CD-CD1 4.11Å; K21-Y126 HydrophobicContact CD-CE1 3.78Å; K21-Y126 HydrophobicContact CG-CE1 4.11Å; K21-Y126 HydrophobicContact CG-CE2 4.13Å; K21-D128 WeakPolarHBondContact CE-OD2 3.41Å; K21-D128 VanDerWaalsContact NZ-CG 3.29Å; K21-D128 IonicContact NZ-OD1 2.8Å; K21-D128 PolarHBondContact NZ-OD1 3.33Å; K21-D128 VanDerWaalsContact NZ-OD1 3.15Å; K21-D128 IonicContact NZ-OD2 3.9Å; K21-D128 PolarHBondContact NZ-OD2 2.92Å
22P86.8Confident89Confident101 Ų10162.2 Ų62.266%0.65633%0.33SS*.THydrogen-bonded Turntrans-64.7-9.3-172.424.7-35.5000115.5A18A18-P22 VanDerWaalsContact O-CA 3.26Å; A18-P22 WeakPolarHBondContact O-CA 3.33Å; A18-P22 WeakPolarHBondContact O-CB 3.31Å; A18-P22 WeakPolarHBondContact O-CD 3.45Å
23Q87.3Confident88.4Confident158 Ų15864.6 Ų64.674%0.73835%0.347SS*.THydrogen-bonded Turntrans-95-2.7176.4-59.4-63.4-27.600113K21K21-Q23 PolarHBondContact O-N 2.87Å
24D90.6Very high87.7Confident11 Ų1165.1 Ų65.16%0.05935%0.35CS..SBendtrans-121.4130.2-169.1-57.6-26.4000111.3K21 W26 W76 R81 Y126K21-D24 HydrophobicContact CB-CB 4.03Å; K21-D24 PolarHBondContact O-N 3.35Å; D24-W26 PolarHBondContact O-N 3.33Å; D24-W76 HydrophobicContact CB-CH2 4.06Å; D24-W76 HydrophobicContact CB-CZ3 4.41Å; D24-R81 WeakPolarHBondContact CA-O 3.34Å; D24-R81 IonicContact OD1-CZ 3.1Å; D24-R81 IonicContact OD1-NE 2.68Å; D24-R81 PolarHBondContact OD1-NE 2.91Å; D24-R81 IonicContact OD1-NH2 3.7Å; D24-R81 PolarHBondContact OD1-NH2 2.9Å; D24-R81 IonicContact OD2-NE 3.98Å; D24-R81 IonicContact OD2-NH2 2.71Å; D24-R81 PolarHBondContact OD2-NH2 2.92Å; D24-Y126 WeakPolarHBondContact CB-OH 3.39Å; D24-Y126 VanDerWaalsContact CG-OH 3.26Å; D24-Y126 WeakPolarHBondContact OD2-CE1 3.44Å; D24-Y126 VanDerWaalsContact OD2-CZ 3.25Å; D24-Y126 PolarHBondContact OD2-OH 3.4Å
25V92.1Very high87Confident85 Ų8565.9 Ų65.952%0.51536%0.355SS..EExtended strand (participates in β ladder)trans-94106-176.3-179.80000109.6V27 R81 R82 G83V25-V27 HydrophobicContact CG1-CG2 4.33Å; V25-R81 PolarHBondContact N-O 2.89Å; V25-R82 HydrophobicContact CB-CG 4.19Å; V25-R82 WeakPolarHBondContact O-CA 3.46Å; V25-G83 PolarHBondContact O-N 3.06Å
26W93.6Very high86Confident6 Ų662.3 Ų62.32%0.02334%0.338CS..EExtended strand (participates in β ladder)trans-105.9130175.7-8185.2000111.2F13 M17 D24 W76 G83 V85 I121 C125 Y126F13-W26 HydrophobicContact CE1-CB 3.85Å; F13-W26 HydrophobicContact CE1-CE3 4.32Å; F13-W26 HydrophobicContact CZ-CB 4.18Å; F13-W26 HydrophobicContact CZ-CD2 4.44Å; F13-W26 AromaticContact CZ-CE3 3.91Å; F13-W26 HydrophobicContact CZ-CE3 3.91Å; M17-W26 HydrophobicContact CB-CB 3.85Å; M17-W26 HydrophobicContact CB-CG 4.22Å; M17-W26 HydrophobicContact CE-CD2 4.07Å; M17-W26 HydrophobicContact CE-CG 3.84Å; M17-W26 HydrophobicContact CG-CB 3.84Å; M17-W26 HydrophobicContact CG-CG 4.02Å; D24-W26 PolarHBondContact O-N 3.33Å; W26-W76 AromaticContact CE2-CE3 3.75Å; W26-W76 AromaticContact CE2-CZ3 3.85Å; W26-W76 HydrophobicContact CH2-CB 4.22Å; W26-W76 HydrophobicContact CH2-CE3 4.13Å; W26-W76 HydrophobicContact CZ2-CB 4.41Å; W26-W76 AromaticContact CZ2-CD2 3.82Å; W26-W76 HydrophobicContact CZ2-CD2 3.82Å; W26-W76 AromaticContact CZ2-CE3 3.34Å; W26-W76 HydrophobicContact CZ2-CE3 3.34Å; W26-W76 HydrophobicContact CZ2-CG 4.27Å; W26-W76 AromaticContact CZ2-CZ3 3.9Å; W26-W76 HydrophobicContact CZ2-CZ3 3.9Å; W26-W76 AromaticContact NE1-CE3 3.94Å; W26-W76 AromaticContact NE1-CZ3 3.53Å; W26-G83 WeakPolarHBondContact CA-O 3.12Å; W26-V85 HydrophobicContact CE3-CG2 3.96Å; W26-V85 HydrophobicContact CZ3-CG2 3.86Å; W26-I121 HydrophobicContact CD2-CG2 4.45Å; W26-I121 HydrophobicContact CE3-CD1 3.95Å; W26-I121 HydrophobicContact CH2-CD1 4.21Å; W26-I121 HydrophobicContact CH2-CG1 4.09Å; W26-I121 HydrophobicContact CH2-CG2 3.65Å; W26-I121 HydrophobicContact CZ2-CG2 3.44Å; W26-I121 VanDerWaalsContact CZ2-CG2 3.44Å; W26-I121 HydrophobicContact CZ3-CD1 3.75Å; W26-I121 HydrophobicContact CZ3-CG1 4.09Å; W26-I121 HydrophobicContact CZ3-CG2 4.24Å; W26-C125 HydrophobicContact CH2-CB 4.48Å; W26-C125 HydrophobicContact CZ2-CB 4.36Å; W26-Y126 HydrophobicContact CZ2-CE2 4.06Å; W26-Y126 AromaticContact NE1-CE2 3.96Å; W26-Y126 AromaticContact NE1-CZ 3.86Å; W26-Y126 PolarHBondContact NE1-OH 3.49Å
27V92.8Very high85.1Confident63 Ų6363 Ų6338%0.38235%0.347SS..EExtended strand (participates in β ladder)trans-123.8133.4-179.5-1770000109.6V25 L29 G83 L84 V85V25-V27 HydrophobicContact CG1-CG2 4.33Å; V27-L29 HydrophobicContact CG1-CD2 3.95Å; V27-L29 HydrophobicContact CG1-CG 4.17Å; V27-G83 PolarHBondContact N-O 3.19Å; V27-L84 HydrophobicContact CB-CD1 4.44Å; V27-V85 PolarHBondContact O-N 2.78Å
28L92.9Very high83.6Confident1 Ų173.2 Ų73.21%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-112.1128172.6-178.5156.2000110.4W9 A10 F13 P30 V85 M87 L114 L117W9-L28 HydrophobicContact CB-CD2 4.26Å; A10-L28 WeakPolarHBondContact CB-O 3.24Å; F13-L28 HydrophobicContact CB-CB 4.17Å; F13-L28 HydrophobicContact CB-CD1 3.97Å; F13-L28 HydrophobicContact CD1-CB 3.37Å; F13-L28 HydrophobicContact CD1-CD1 4.14Å; F13-L28 HydrophobicContact CD1-CG 4.41Å; F13-L28 HydrophobicContact CD2-CD1 4.24Å; F13-L28 HydrophobicContact CE1-CB 3.9Å; F13-L28 HydrophobicContact CG-CB 3.91Å; F13-L28 HydrophobicContact CG-CD1 3.84Å; L28-P30 HydrophobicContact CD2-CG 4.13Å; L28-V85 CarbonylContact C-O 3.57Å; L28-V85 VanDerWaalsContact CA-O 3.29Å; L28-V85 WeakPolarHBondContact CA-O 3.41Å; L28-V85 HydrophobicContact CB-CB 4.27Å; L28-V85 HydrophobicContact CD1-CG1 4.19Å; L28-V85 HydrophobicContact CG-CB 4.28Å; L28-V85 HydrophobicContact CG-CG1 4.24Å; L28-M87 HydrophobicContact CD1-SD 4.01Å; L28-M87 HydrophobicContact CD2-CB 4.19Å; L28-M87 HydrophobicContact CD2-CE 4.44Å; L28-M87 HydrophobicContact CD2-SD 4.03Å; L28-M87 HydrophobicContact CG-CB 4.33Å; L28-M87 HydrophobicContact CG-SD 4.47Å; L28-L114 HydrophobicContact CD1-CD2 3.88Å; L28-L117 HydrophobicContact CD1-CD2 3.98Å
29L89.8Confident82.8Confident82 Ų8272.5 Ų72.543%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-122.3116.4-179.9-60.6-178.1000110.5V27 L84 V85 K86 M87V27-L29 HydrophobicContact CG1-CD2 3.95Å; V27-L29 HydrophobicContact CG1-CG 4.17Å; L29-L84 HydrophobicContact CD1-CD1 3.91Å; L29-L84 HydrophobicContact CG-CD1 4.12Å; L29-V85 PolarHBondContact N-O 3.34Å; L29-K86 CarbonylContact O-C 3.55Å; L29-K86 WeakPolarHBondContact O-CA 3.32Å; L29-M87 PolarHBondContact O-N 2.8Å
30P84.9Confident81.8Confident33 Ų3371.7 Ų71.721%0.21438%0.375CS..EExtended strand (participates in β ladder)trans-70.1132.6170.4-2438.6000111.9M1 A6 L28 M87M1-P30 HydrophobicContact SD-CB 4.28Å; A6-P30 HydrophobicContact CB-CB 4.27Å; A6-P30 HydrophobicContact CB-CG 3.74Å; L28-P30 HydrophobicContact CD2-CG 4.13Å; P30-M87 CarbonylContact C-O 3.58Å; P30-M87 WeakPolarHBondContact CA-O 3.41Å; P30-M87 HydrophobicContact CG-CE 4.43Å
31E83.3Confident80.9Confident50 Ų5068.3 Ų68.323%0.23439%0.387CS..  trans-142.2104.9-173-178.3172.4-16000111S33 L34 K86 M87E31-S33 WeakPolarHBondContact CG-OG 3.13Å; E31-S33 PolarHBondContact O-N 3.31Å; E31-S33 VanDerWaalsContact O-N 3.13Å; E31-L34 HydrophobicContact CB-CD1 4.45Å; E31-L34 HydrophobicContact CG-CD1 4.38Å; E31-L34 WeakPolarHBondContact O-CB 3.48Å; E31-L34 PolarHBondContact O-N 3.46Å; E31-L34 VanDerWaalsContact O-N 3.11Å; E31-L34 WeakPolarHBondContact OE2-CD1 3.17Å; E31-K86 IonicContact OE1-NZ 3.34Å; E31-K86 PolarHBondContact OE1-NZ 2.82Å; E31-K86 WeakPolarHBondContact OE2-CD 3.48Å; E31-K86 WeakPolarHBondContact OE2-CE 3.39Å; E31-K86 WeakPolarHBondContact OE2-CG 3.29Å; E31-K86 IonicContact OE2-NZ 3.02Å; E31-K86 PolarHBondContact OE2-NZ 2.92Å; E31-M87 PolarHBondContact N-O 2.94Å
32H72.7Confident80.1Confident103 Ų10369.7 Ų69.748%0.47741%0.413SS..THydrogen-bonded Turntrans-71.1-13-170.8-47.5-6.8000113M1 R88M1-H32 PolarHBondContact N-NE2 2.69Å; M1-H32 PolarHBondContact O-CE1 3.17Å; M1-H32 PolarHBondContact O-NE2 3.5Å; H32-R88 WeakPolarHBondContact O-CD 3.42Å; H32-R88 PolarHBondContact O-NE 3.21Å; H32-R88 PolarHBondContact O-NH1 3.13Å
33S75.9Confident79.8Confident87 Ų8765.6 Ų65.661%0.60839%0.39SS*.THydrogen-bonded Turntrans-90.10.6174.947.60000114.4E31 V35E31-S33 WeakPolarHBondContact CG-OG 3.13Å; E31-S33 PolarHBondContact O-N 3.31Å; E31-S33 VanDerWaalsContact O-N 3.13Å; S33-V35 PolarHBondContact O-N 3.19Å
34L78.9Confident79.5Confident11 Ų1161 Ų616%0.05837%0.372CS..  trans-63.2133.6178.1-141.471.1000110.9E31 L71 H73 K86 R88E31-L34 HydrophobicContact CB-CD1 4.45Å; E31-L34 HydrophobicContact CG-CD1 4.38Å; E31-L34 WeakPolarHBondContact O-CB 3.48Å; E31-L34 PolarHBondContact O-N 3.46Å; E31-L34 VanDerWaalsContact O-N 3.11Å; E31-L34 WeakPolarHBondContact OE2-CD1 3.17Å; L34-L71 HydrophobicContact CB-CD2 4.44Å; L34-L71 HydrophobicContact CD2-CD2 3.92Å; L34-L71 HydrophobicContact CD2-CG 4.1Å; L34-L71 HydrophobicContact CG-CD2 4.06Å; L34-H73 WeakPolarHBondContact CD1-ND1 3.01Å; L34-H73 HydrophobicContact CD2-CB 4.39Å; L34-H73 WeakPolarHBondContact CG-ND1 3.45Å; L34-K86 HydrophobicContact CD1-CB 3.84Å; L34-K86 HydrophobicContact CD2-CB 4.33Å; L34-K86 WeakPolarHBondContact CD2-O 3.45Å; L34-R88 HydrophobicContact CB-CB 3.67Å; L34-R88 HydrophobicContact CD2-CB 4.29Å; L34-R88 WeakPolarHBondContact O-CD 3.35Å; L34-R88 PolarHBondContact O-NH1 2.82Å
35V75.8Confident79.3Confident80 Ų8064.5 Ų64.549%0.48539%0.388SS..  trans-132.7135.8177.4-176.70000108.7S33 G37 H73S33-V35 PolarHBondContact O-N 3.19Å; V35-G37 PolarHBondContact O-N 2.78Å; V35-H73 PolarHBondContact O-CE1 3.33Å; V35-H73 VanDerWaalsContact O-CE1 3.31Å
36P72.3Confident78.7Confident33 Ų3362.3 Ų62.321%0.21437%0.371CS..  trans-54.7135.3171.4-30.339.8000112.6L71 V151P36-L71 HydrophobicContact CB-CD2 4.5Å; P36-L71 HydrophobicContact CG-CD1 4.26Å; P36-L71 HydrophobicContact CG-CD2 3.78Å; P36-V151 HydrophobicContact CB-CG2 4.25Å; P36-V151 HydrophobicContact CG-CB 4.19Å; P36-V151 HydrophobicContact CG-CG1 3.69Å; P36-V151 HydrophobicContact CG-CG2 3.53Å
37G70.2Confident78.1Confident39 Ų3965.1 Ų65.140%0.40239%0.386SS..SBendtrans172.2-178.8-18000000112.1V35 L39V35-G37 PolarHBondContact O-N 2.78Å; G37-L39 PolarHBondContact O-N 2.84Å
38R61.4Low77.4Confident218 Ų21862.6 Ų62.682%0.82337%0.37SS*.PPolyproline II helixtrans-67.9122.3174.7-174.5177.4-179-82.32.7109.5D40R38-D40 IonicContact NH1-OD1 3.17Å; R38-D40 PolarHBondContact NH1-OD1 3.12Å; R38-D40 VanDerWaalsContact NH1-OD1 3.17Å
39L73.4Confident76.7Confident31 Ų3165.6 Ų65.616%0.16239%0.389CS..PPolyproline II helixtrans-83.2128.9176.8-76.7162000111.2G37 G43 V44 Q45 H73 W75G37-L39 PolarHBondContact O-N 2.84Å; L39-G43 WeakPolarHBondContact CB-O 3.44Å; L39-G43 WeakPolarHBondContact CD1-O 3.06Å; L39-V44 WeakPolarHBondContact CD1-O 3.49Å; L39-Q45 HydrophobicContact CD1-CB 4.14Å; L39-H73 HydrophobicContact CD1-CB 4.08Å; L39-H73 HydrophobicContact CD2-CB 4.01Å; L39-W75 HydrophobicContact CD2-CH2 4.07Å; L39-W75 HydrophobicContact CD2-CZ2 3.63Å
40D67.4Low75.7Confident122 Ų12262.6 Ų62.665%0.65238%0.377SS*.G310 helixtrans-82158.9167.7-67.5-44.1000111.3R38 G42R38-D40 IonicContact NH1-OD1 3.17Å; R38-D40 PolarHBondContact NH1-OD1 3.12Å; R38-D40 VanDerWaalsContact NH1-OD1 3.17Å; D40-G42 VanDerWaalsContact C-N 3.32Å; D40-G42 PolarHBondContact O-N 2.84Å
41G69.1Low74.9Confident80 Ų8067.6 Ų67.683%0.82540%0.401SS*.G310 helixtrans71.919.2-179.800000115.3
42G71.7Confident74.6Confident70 Ų7065.7 Ų65.772%0.72239%0.394SS*.G310 helixtrans7720.6175.200000115D40D40-G42 VanDerWaalsContact C-N 3.32Å; D40-G42 PolarHBondContact O-N 2.84Å
43G80.4Confident74.8Confident15 Ų1566.3 Ų66.316%0.15539%0.392CS..PPolyproline II helixtrans-68.8148.3174.200000113L39 L74L39-G43 WeakPolarHBondContact CB-O 3.44Å; L39-G43 WeakPolarHBondContact CD1-O 3.06Å; G43-L74 CarbonylContact C-O 3.59Å; G43-L74 WeakPolarHBondContact CA-O 3.32Å
44V81.4Confident74.9Confident62 Ų6262.1 Ų62.138%0.37636%0.363SS..EExtended strand (participates in β ladder)trans-101.5139.6176179.70000110L39 H73 L74L39-V44 WeakPolarHBondContact CD1-O 3.49Å; V44-H73 WeakPolarHBondContact O-CA 3.24Å; V44-L74 HydrophobicContact CB-CB 4.46Å; V44-L74 PolarHBondContact N-O 2.89Å; V44-L74 PolarHBondContact O-N 2.89Å
45Q84.7Confident74.8Confident84 Ų8464.7 Ų64.739%0.39338%0.375SS..EExtended strand (participates in β ladder)trans-98127.6174.6176.9-179.13.400110.4L39 L71L39-Q45 HydrophobicContact CD1-CB 4.14Å; Q45-L71 HydrophobicContact CG-CD1 3.74Å
46Y80.8Confident75Confident39 Ų3961 Ų6115%0.15335%0.352CS..EExtended strand (participates in β ladder)trans-124.6118.4168.6-174.6-125000110L48 F72 L117 H120Y46-L48 HydrophobicContact CE1-CB 4.05Å; Y46-L48 HydrophobicContact CE1-CD2 4.27Å; Y46-F72 AromaticContact CD1-CD2 3.59Å; Y46-F72 HydrophobicContact CD1-CD2 3.59Å; Y46-F72 HydrophobicContact CD1-CE2 4.08Å; Y46-F72 HydrophobicContact CD1-CG 4.42Å; Y46-F72 HydrophobicContact CE1-CD2 4.31Å; Y46-F72 HydrophobicContact CE1-CE2 4.35Å; Y46-F72 HydrophobicContact CG-CD2 4.46Å; Y46-F72 PolarHBondContact N-O 3.4Å; Y46-F72 PolarHBondContact O-N 2.89Å; Y46-L117 HydrophobicContact CD1-CD1 4.17Å; Y46-H120 WeakPolarHBondContact CB-NE2 3.35Å; Y46-H120 AromaticContact CD1-CD2 3.76Å; Y46-H120 AromaticContact CD2-CD2 3.44Å; Y46-H120 VanDerWaalsContact CD2-CD2 3.44Å; Y46-H120 WeakPolarHBondContact CD2-CD2 3.45Å; Y46-H120 AromaticContact CD2-CG 3.88Å; Y46-H120 AromaticContact CD2-NE2 3.56Å; Y46-H120 HydrophobicContact CE1-CB 4.4Å; Y46-H120 HydrophobicContact CE2-CB 4.33Å; Y46-H120 AromaticContact CG-CD2 3.3Å; Y46-H120 AromaticContact CG-NE2 3.61Å
47L80.3Confident75.1Confident64 Ų6462.2 Ų62.234%0.33536%0.361SS..EExtended strand (participates in β ladder)trans-108.3121.4173.7-179.764.7000108.8L71L47-L71 HydrophobicContact CB-CD1 4.42Å; L47-L71 HydrophobicContact CD1-CB 4.25Å; L47-L71 HydrophobicContact CD1-CD1 4.41Å
48L79.2Confident75.3Confident10 Ų1067 Ų675%0.05237%0.373CS..EExtended strand (participates in β ladder)trans-116135.5179.1179.957.7000110.2Y46 H69 V70 F72 F113 R116Y46-L48 HydrophobicContact CE1-CB 4.05Å; Y46-L48 HydrophobicContact CE1-CD2 4.27Å; L48-H69 CarbonylContact O-C 3.53Å; L48-H69 WeakPolarHBondContact O-CA 3.38Å; L48-V70 PolarHBondContact N-O 3.33Å; L48-V70 PolarHBondContact O-N 2.92Å; L48-F72 HydrophobicContact CB-CE2 4.05Å; L48-F72 HydrophobicContact CD2-CE2 4.33Å; L48-F113 HydrophobicContact CD2-CB 4.01Å; L48-F113 HydrophobicContact CD2-CD1 3.76Å; L48-F113 HydrophobicContact CD2-CG 4.25Å; L48-F113 HydrophobicContact CG-CD1 4.02Å; L48-R116 HydrophobicContact CD2-CB 3.82Å
49V77.3Confident76.1Confident65 Ų6558 Ų5839%0.39434%0.343SS..EExtended strand (participates in β ladder)trans-111.5141.2170.3-166.30000108.3V68V49-V68 WeakPolarHBondContact CA-O 3.47Å
50G68.6Low76.1Confident18 Ų1862.8 Ų62.819%0.18638%0.376CS..EExtended strand (participates in β ladder)trans-163.3162.6178.600000115.3A66 V68G50-A66 CarbonylContact C-O 3.53Å; G50-V68 PolarHBondContact N-O 3.16Å; G50-V68 WeakPolarHBondContact O-CB 3.46Å; G50-V68 PolarHBondContact O-N 3.34Å; G50-V68 VanDerWaalsContact O-N 3.09Å
51L68.3Low76.3Confident138 Ų13857.5 Ų57.572%0.72335%0.351SS*.EExtended strand (participates in β ladder)trans-70.7127.8168.5-71.5141.3000109.8S65 A66L51-S65 WeakPolarHBondContact CA-O 3.34Å; L51-A66 HydrophobicContact CD2-CB 3.73Å; L51-A66 HydrophobicContact CG-CB 4.35Å
52S76.4Confident76.7Confident11 Ų1156.9 Ų56.98%0.07733%0.331CS..EExtended strand (participates in β ladder)trans-154.2156.9167.9-152.10000112.7L54 S65 V105 G109S52-L54 PolarHBondContact O-N 2.91Å; S52-S65 PolarHBondContact N-O 3.08Å; S52-S65 PolarHBondContact O-N 2.7Å; S52-V105 WeakPolarHBondContact OG-CG1 3.26Å; S52-G109 PolarHBondContact OG-O 2.98Å; S52-G109 VanDerWaalsContact OG-O 3.11Å
53R76.9Confident76.7Confident115 Ų11556 Ų5643%0.43431%0.306SS..EExtended strand (participates in β ladder)trans-82.2115173.4-175.5160.2-71.2171.3-1.4109.1D64 R106R53-D64 WeakPolarHBondContact CB-OD1 3.34Å; R53-D64 IonicContact CZ-OD1 3.36Å; R53-D64 IonicContact CZ-OD2 3.62Å; R53-D64 IonicContact NE-OD1 2.72Å; R53-D64 PolarHBondContact NE-OD1 2.93Å; R53-D64 IonicContact NE-OD2 3.64Å; R53-D64 IonicContact NH2-OD1 3.18Å; R53-D64 PolarHBondContact NH2-OD1 2.6Å; R53-D64 IonicContact NH2-OD2 2.76Å; R53-D64 PolarHBondContact NH2-OD2 3.34Å; R53-R106 HydrophobicContact CG-CB 4.38Å; R53-R106 WeakPolarHBondContact O-CB 3.32Å; R53-R106 PolarHBondContact O-N 3.1Å
54L77.3Confident76Confident0 Ų060.2 Ų60.20%033%0.325CS..EExtended strand (participates in β ladder)trans-88.1147.8173.7-65.9177.4000110.6S52 T62 W63 V68 Q92 Q104 V105S52-L54 PolarHBondContact O-N 2.91Å; L54-T62 CarbonylContact O-C 3.57Å; L54-T62 WeakPolarHBondContact O-CA 3.46Å; L54-T62 WeakPolarHBondContact O-CB 3.35Å; L54-W63 HydrophobicContact CB-CD2 4.28Å; L54-W63 HydrophobicContact CB-CH2 4.37Å; L54-W63 HydrophobicContact CB-CZ2 3.77Å; L54-W63 HydrophobicContact CD1-CZ2 4.18Å; L54-W63 PolarHBondContact N-O 2.81Å; L54-W63 PolarHBondContact O-N 2.99Å; L54-V68 HydrophobicContact CD1-CG2 4.18Å; L54-V68 HydrophobicContact CD2-CG2 3.95Å; L54-V68 HydrophobicContact CG-CG2 4.06Å; L54-Q92 HydrophobicContact CD1-CB 4.39Å; L54-Q104 CarbonylContact C-O 3.58Å; L54-Q104 WeakPolarHBondContact CA-O 3.37Å; L54-V105 HydrophobicContact CD2-CG2 4.05Å
55Q78.2Confident75.3Confident65 Ų6557.4 Ų57.430%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-128.1136.2171.3-179.4168.8-3500108.9T62 Q104 R106Q55-T62 HydrophobicContact CB-CG2 3.9Å; Q55-T62 HydrophobicContact CG-CG2 3.86Å; Q55-Q104 PolarHBondContact N-O 2.88Å; Q55-Q104 PolarHBondContact O-N 2.81Å; Q55-R106 HydrophobicContact CB-CB 4.18Å
56C80Confident73.9Confident3 Ų355.7 Ų55.72%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-74.7142172.7-1700000110.6H58 C59 G61 W63 C94C56-H58 VanDerWaalsContact C-N 3.34Å; C56-H58 PolarHBondContact SG-N 2.97Å; C56-H58 VanDerWaalsContact SG-N 3.35Å; C56-C59 VanDerWaalsContact CB-SG 3.55Å; C56-G61 PolarHBondContact N-O 2.83Å; C56-G61 VanDerWaalsContact N-O 3.11Å; C56-W63 HydrophobicContact CB-CH2 4.06Å; C56-W63 HydrophobicContact CB-CZ3 3.99Å; C56-C94 HydrophobicContact CB-CB 4.05Å
57S74.2Confident73.3Confident57 Ų5758.5 Ų58.540%0.39932%0.322SS..SBendtrans-71.2-27.7169.950.70000113.2D102S57-D102 WeakPolarHBondContact CB-O 3.26Å; S57-D102 PolarHBondContact N-O 2.89Å; S57-D102 PolarHBondContact OG-O 2.91Å
58H74.9Confident73.1Confident140 Ų14055.4 Ų55.465%0.64831%0.306SS*.SBendtrans-101.3-8.5-172.7-60.1-84.4000115C56 G101C56-H58 VanDerWaalsContact C-N 3.34Å; C56-H58 PolarHBondContact SG-N 2.97Å; C56-H58 VanDerWaalsContact SG-N 3.35Å; H58-G101 VanDerWaalsContact CD2-CA 3.49Å; H58-G101 WeakPolarHBondContact CD2-CA 3.36Å
59C76.7Confident73.1Confident28 Ų2856.2 Ų56.219%0.18931%0.309CS..SBendtrans-148.9157.6178.780.10000111C56 G61 C97C56-C59 VanDerWaalsContact CB-SG 3.55Å; C59-G61 PolarHBondContact O-N 2.66Å; C59-G61 PolarHBondContact SG-N 3.29Å; C59-C97 VanDerWaalsContact SG-SG 3.64Å
60P73.5Confident73.5Confident132 Ų13253.1 Ų53.186%0.85729%0.29SS*.SBendtrans-71.18.2179.131.4-37.1000113.9
61G72.9Confident74.3Confident12 Ų1252.2 Ų52.212%0.12428%0.282CS..  trans-68.6129178.900000112.1C56 C59 W63C56-G61 PolarHBondContact N-O 2.83Å; C56-G61 VanDerWaalsContact N-O 3.11Å; C59-G61 PolarHBondContact O-N 2.66Å; C59-G61 PolarHBondContact SG-N 3.29Å; G61-W63 WeakPolarHBondContact O-CZ3 3.39Å
62T76.4Confident75.3Confident66 Ų6645.7 Ų45.741%0.40525%0.247SC..EExtended strand (participates in β ladder)trans-123.3146167.861.40000110.1L54 Q55L54-T62 CarbonylContact O-C 3.57Å; L54-T62 WeakPolarHBondContact O-CA 3.46Å; L54-T62 WeakPolarHBondContact O-CB 3.35Å; Q55-T62 HydrophobicContact CB-CG2 3.9Å; Q55-T62 HydrophobicContact CG-CG2 3.86Å
63W71.4Confident75.9Confident53 Ų5345.7 Ų45.720%0.20125%0.246CC..EExtended strand (participates in β ladder)trans-148.3150.7175.659.599000110.3L54 C56 G61 Q92 C94 C103L54-W63 HydrophobicContact CB-CD2 4.28Å; L54-W63 HydrophobicContact CB-CH2 4.37Å; L54-W63 HydrophobicContact CB-CZ2 3.77Å; L54-W63 HydrophobicContact CD1-CZ2 4.18Å; L54-W63 PolarHBondContact N-O 2.81Å; L54-W63 PolarHBondContact O-N 2.99Å; C56-W63 HydrophobicContact CB-CH2 4.06Å; C56-W63 HydrophobicContact CB-CZ3 3.99Å; G61-W63 WeakPolarHBondContact O-CZ3 3.39Å; W63-Q92 WeakPolarHBondContact CZ2-O 3.5Å; W63-C94 HydrophobicContact CH2-CB 3.51Å; W63-C94 HydrophobicContact CZ2-CB 4.2Å; W63-C94 HydrophobicContact CZ3-CB 3.97Å; W63-C94 WeakPolarHBondContact CZ3-SG 3.39Å; W63-C103 HydrophobicContact CH2-CB 4.35Å; W63-C103 HydrophobicContact CZ2-CB 4.19Å
64D67.3Low76.5Confident103 Ų10340.4 Ų40.455%0.55123%0.226SC*.EExtended strand (participates in β ladder)trans-83.6133.3173.9-63.3-45.9000109.8R53R53-D64 WeakPolarHBondContact CB-OD1 3.34Å; R53-D64 IonicContact CZ-OD1 3.36Å; R53-D64 IonicContact CZ-OD2 3.62Å; R53-D64 IonicContact NE-OD1 2.72Å; R53-D64 PolarHBondContact NE-OD1 2.93Å; R53-D64 IonicContact NE-OD2 3.64Å; R53-D64 IonicContact NH2-OD1 3.18Å; R53-D64 PolarHBondContact NH2-OD1 2.6Å; R53-D64 IonicContact NH2-OD2 2.76Å; R53-D64 PolarHBondContact NH2-OD2 3.34Å
65S66.4Low77.1Confident3 Ų343.6 Ų43.62%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-126.2120.7-178.4172.10000109.7L51 S52 H67L51-S65 WeakPolarHBondContact CA-O 3.34Å; S52-S65 PolarHBondContact N-O 3.08Å; S52-S65 PolarHBondContact O-N 2.7Å; S65-H67 PolarHBondContact O-N 2.66Å; S65-H67 PolarHBondContact OG-N 3.22Å
66A55.8Low77.7Confident47 Ų4743.1 Ų43.139%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-73.1-15.6172.600000113.7G50 L51G50-A66 CarbonylContact C-O 3.53Å; L51-A66 HydrophobicContact CD2-CB 3.73Å; L51-A66 HydrophobicContact CG-CB 4.35Å
67H67.3Low78.1Confident98 Ų9845.8 Ų45.845%0.45425%0.248SC..EExtended strand (participates in β ladder)trans-119.655.1-170.7-56.5102.4000110.9S65S65-H67 PolarHBondContact O-N 2.66Å; S65-H67 PolarHBondContact OG-N 3.22Å
68V76.7Confident78.6Confident0 Ų052.2 Ų52.20%026%0.264CS..EExtended strand (participates in β ladder)trans-88.4116.3166-175.80000107.8V49 G50 L54 V70 I89 V105 F113V49-V68 WeakPolarHBondContact CA-O 3.47Å; G50-V68 PolarHBondContact N-O 3.16Å; G50-V68 WeakPolarHBondContact O-CB 3.46Å; G50-V68 PolarHBondContact O-N 3.34Å; G50-V68 VanDerWaalsContact O-N 3.09Å; L54-V68 HydrophobicContact CD1-CG2 4.18Å; L54-V68 HydrophobicContact CD2-CG2 3.95Å; L54-V68 HydrophobicContact CG-CG2 4.06Å; V68-V70 HydrophobicContact CG1-CG2 4.32Å; V68-I89 HydrophobicContact CG1-CG2 3.68Å; V68-V105 HydrophobicContact CG1-CG2 4.03Å; V68-F113 HydrophobicContact CB-CE1 4.49Å; V68-F113 HydrophobicContact CB-CZ 4.16Å; V68-F113 HydrophobicContact CG1-CE1 4.49Å; V68-F113 HydrophobicContact CG1-CZ 4.34Å
69H79Confident79.2Confident26 Ų2650.1 Ų50.112%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-97.2133.3176.8-65.3-107.9000108.9L48 I89 W90L48-H69 CarbonylContact O-C 3.53Å; L48-H69 WeakPolarHBondContact O-CA 3.38Å; H69-I89 CarbonylContact O-C 3.56Å; H69-I89 WeakPolarHBondContact O-CA 3.18Å; H69-W90 HydrophobicContact CB-CB 4.46Å; H69-W90 HydrophobicContact CB-CE3 4.31Å; H69-W90 PolarHBondContact N-O 3.17Å; H69-W90 PolarHBondContact O-N 3.22Å
70V84.6Confident79.7Confident0 Ų057.7 Ų57.70%030%0.295CS..EExtended strand (participates in β ladder)trans-128.4118.4174.4-167.50000108.9W9 L48 V68 F72 M87 R88 I89 F113W9-V70 HydrophobicContact CH2-CG2 4.46Å; L48-V70 PolarHBondContact N-O 3.33Å; L48-V70 PolarHBondContact O-N 2.92Å; V68-V70 HydrophobicContact CG1-CG2 4.32Å; V70-F72 HydrophobicContact CB-CE2 3.88Å; V70-F72 HydrophobicContact CB-CZ 3.97Å; V70-F72 HydrophobicContact CG1-CD1 4.34Å; V70-F72 HydrophobicContact CG1-CD2 4.26Å; V70-F72 HydrophobicContact CG1-CE1 3.72Å; V70-F72 HydrophobicContact CG1-CE2 3.64Å; V70-F72 HydrophobicContact CG1-CZ 3.34Å; V70-M87 HydrophobicContact CG1-CG 3.61Å; V70-M87 HydrophobicContact CG1-SD 3.93Å; V70-R88 CarbonylContact C-O 3.6Å; V70-R88 WeakPolarHBondContact CA-O 3.33Å; V70-I89 HydrophobicContact CG1-CG1 4.28Å; V70-I89 HydrophobicContact CG2-CG1 4.25Å; V70-I89 HydrophobicContact CG2-CG2 4.38Å; V70-F113 HydrophobicContact CB-CD1 4.29Å; V70-F113 HydrophobicContact CG2-CD1 3.56Å; V70-F113 HydrophobicContact CG2-CE1 3.83Å; V70-F113 HydrophobicContact CG2-CG 4.31Å
71L86.1Confident80.4Confident0 Ų057.1 Ų57.10%028%0.275CS..EExtended strand (participates in β ladder)trans-94.4132172178.771.5000108.4L34 P36 Q45 L47 H73 M87 R88 W90L34-L71 HydrophobicContact CB-CD2 4.44Å; L34-L71 HydrophobicContact CD2-CD2 3.92Å; L34-L71 HydrophobicContact CD2-CG 4.1Å; L34-L71 HydrophobicContact CG-CD2 4.06Å; P36-L71 HydrophobicContact CB-CD2 4.5Å; P36-L71 HydrophobicContact CG-CD1 4.26Å; P36-L71 HydrophobicContact CG-CD2 3.78Å; Q45-L71 HydrophobicContact CG-CD1 3.74Å; L47-L71 HydrophobicContact CB-CD1 4.42Å; L47-L71 HydrophobicContact CD1-CB 4.25Å; L47-L71 HydrophobicContact CD1-CD1 4.41Å; L71-H73 WeakPolarHBondContact CD2-NE2 3.11Å; L71-M87 CarbonylContact O-C 3.53Å; L71-M87 WeakPolarHBondContact O-CA 3.17Å; L71-R88 PolarHBondContact N-O 2.97Å; L71-R88 PolarHBondContact O-N 3Å; L71-W90 HydrophobicContact CB-CH2 3.6Å; L71-W90 HydrophobicContact CB-CZ3 3.38Å; L71-W90 HydrophobicContact CD2-CH2 3.79Å; L71-W90 HydrophobicContact CD2-CZ3 4.44Å; L71-W90 HydrophobicContact CG-CH2 4.38Å
72F88.4Confident81.3Confident0 Ų064 Ų640%030%0.298CS..EExtended strand (participates in β ladder)trans-118.4131.6169.7-50.7-90.3000108.2Y46 L48 V70 L74 V85 K86 M87 L117Y46-F72 AromaticContact CD1-CD2 3.59Å; Y46-F72 HydrophobicContact CD1-CD2 3.59Å; Y46-F72 HydrophobicContact CD1-CE2 4.08Å; Y46-F72 HydrophobicContact CD1-CG 4.42Å; Y46-F72 HydrophobicContact CE1-CD2 4.31Å; Y46-F72 HydrophobicContact CE1-CE2 4.35Å; Y46-F72 HydrophobicContact CG-CD2 4.46Å; Y46-F72 PolarHBondContact N-O 3.4Å; Y46-F72 PolarHBondContact O-N 2.89Å; L48-F72 HydrophobicContact CB-CE2 4.05Å; L48-F72 HydrophobicContact CD2-CE2 4.33Å; V70-F72 HydrophobicContact CB-CE2 3.88Å; V70-F72 HydrophobicContact CB-CZ 3.97Å; V70-F72 HydrophobicContact CG1-CD1 4.34Å; V70-F72 HydrophobicContact CG1-CD2 4.26Å; V70-F72 HydrophobicContact CG1-CE1 3.72Å; V70-F72 HydrophobicContact CG1-CE2 3.64Å; V70-F72 HydrophobicContact CG1-CZ 3.34Å; F72-L74 HydrophobicContact CB-CD1 3.92Å; F72-V85 HydrophobicContact CB-CG1 3.98Å; F72-V85 HydrophobicContact CD1-CG1 3.77Å; F72-V85 HydrophobicContact CG-CG1 4.35Å; F72-K86 CarbonylContact C-O 3.59Å; F72-K86 WeakPolarHBondContact CA-O 3.36Å; F72-M87 HydrophobicContact CD1-CB 4.12Å; F72-M87 HydrophobicContact CD1-CG 3.64Å; F72-M87 HydrophobicContact CD1-SD 4.11Å; F72-M87 HydrophobicContact CE1-CB 4.44Å; F72-M87 HydrophobicContact CE1-CG 3.58Å; F72-M87 HydrophobicContact CE1-SD 3.49Å; F72-M87 WeakPolarHBondContact CE1-SD 3.33Å; F72-M87 HydrophobicContact CZ-CG 4.5Å; F72-M87 HydrophobicContact CZ-SD 4.33Å; F72-L117 HydrophobicContact CB-CD1 3.95Å; F72-L117 HydrophobicContact CD1-CD1 3.82Å; F72-L117 HydrophobicContact CD1-CD2 3.74Å; F72-L117 HydrophobicContact CD1-CG 4.32Å; F72-L117 HydrophobicContact CD2-CD1 4.1Å; F72-L117 HydrophobicContact CE1-CB 4.48Å; F72-L117 HydrophobicContact CE1-CD1 4.27Å; F72-L117 HydrophobicContact CE1-CD2 3.65Å; F72-L117 HydrophobicContact CE1-CG 4.35Å; F72-L117 HydrophobicContact CG-CD1 3.7Å; F72-L117 HydrophobicContact CG-CD2 4.47Å; F72-L117 HydrophobicContact CZ-CB 4.34Å; F72-L117 HydrophobicContact CZ-CD2 4.31Å
73H89.1Confident82Confident11 Ų1161.1 Ų61.15%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-108.3124.6165.1-66.6168.2000107.7L34 V35 L39 V44 L71 W75 V85 K86L34-H73 WeakPolarHBondContact CD1-ND1 3.01Å; L34-H73 HydrophobicContact CD2-CB 4.39Å; L34-H73 WeakPolarHBondContact CG-ND1 3.45Å; V35-H73 PolarHBondContact O-CE1 3.33Å; V35-H73 VanDerWaalsContact O-CE1 3.31Å; L39-H73 HydrophobicContact CD1-CB 4.08Å; L39-H73 HydrophobicContact CD2-CB 4.01Å; V44-H73 WeakPolarHBondContact O-CA 3.24Å; L71-H73 WeakPolarHBondContact CD2-NE2 3.11Å; H73-W75 HydrophobicContact CB-CH2 3.48Å; H73-W75 VanDerWaalsContact CB-CH2 3.48Å; H73-W75 HydrophobicContact CB-CZ2 4.35Å; H73-W75 HydrophobicContact CB-CZ3 3.58Å; H73-W75 VanDerWaalsContact O-CZ3 3.24Å; H73-W75 WeakPolarHBondContact O-CZ3 3.3Å; H73-V85 CarbonylContact O-C 3.46Å; H73-V85 WeakPolarHBondContact O-CA 3.33Å; H73-K86 HydrophobicContact CB-CB 4.45Å; H73-K86 PolarHBondContact N-O 3.26Å; H73-K86 PolarHBondContact O-N 3.02Å
74L90.2Very high83Confident4 Ų461.3 Ų61.32%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-116.9135.2-170.8-58.793.5000110.6G43 V44 F72 L84 V85 L117 I121G43-L74 CarbonylContact C-O 3.59Å; G43-L74 WeakPolarHBondContact CA-O 3.32Å; V44-L74 HydrophobicContact CB-CB 4.46Å; V44-L74 PolarHBondContact N-O 2.89Å; V44-L74 PolarHBondContact O-N 2.89Å; F72-L74 HydrophobicContact CB-CD1 3.92Å; L74-L84 CarbonylContact C-O 3.58Å; L74-L84 WeakPolarHBondContact CA-O 3.42Å; L74-V85 HydrophobicContact CD2-CG2 4.18Å; L74-V85 HydrophobicContact CG-CG2 4.21Å; L74-L117 HydrophobicContact CD2-CD1 3.93Å; L74-I121 HydrophobicContact CD2-CD1 3.86Å; L74-I121 HydrophobicContact CD2-CG1 3.39Å
75W89.4Confident84.2Confident68 Ų6856.4 Ų56.426%0.25826%0.26SS..EExtended strand (participates in β ladder)trans-128.5131.5169.1-61.9-99.2000108.9L39 H73 G83 L84 K86L39-W75 HydrophobicContact CD2-CH2 4.07Å; L39-W75 HydrophobicContact CD2-CZ2 3.63Å; H73-W75 HydrophobicContact CB-CH2 3.48Å; H73-W75 VanDerWaalsContact CB-CH2 3.48Å; H73-W75 HydrophobicContact CB-CZ2 4.35Å; H73-W75 HydrophobicContact CB-CZ3 3.58Å; H73-W75 VanDerWaalsContact O-CZ3 3.24Å; H73-W75 WeakPolarHBondContact O-CZ3 3.3Å; W75-G83 CarbonylContact O-C 3.51Å; W75-G83 WeakPolarHBondContact O-CA 3.39Å; W75-L84 HydrophobicContact CE3-CB 4.49Å; W75-L84 HydrophobicContact CE3-CD2 4.25Å; W75-L84 HydrophobicContact CE3-CG 4.3Å; W75-L84 PolarHBondContact N-O 3.44Å; W75-L84 PolarHBondContact O-N 3.3Å; W75-K86 HydrophobicContact CH2-CB 4.39Å; W75-K86 HydrophobicContact CH2-CD 3.63Å; W75-K86 HydrophobicContact CH2-CG 4.28Å; W75-K86 HydrophobicContact CZ3-CB 3.92Å; W75-K86 HydrophobicContact CZ3-CD 3.59Å; W75-K86 HydrophobicContact CZ3-CG 3.77Å
76W90.8Very high85.4Confident55 Ų5559 Ų5921%0.20827%0.27CS..EExtended strand (participates in β ladder)trans-123.6110.6-178.5174.4-131.2000111.1D24 W26 R78 R82 C125 Y126D24-W76 HydrophobicContact CB-CH2 4.06Å; D24-W76 HydrophobicContact CB-CZ3 4.41Å; W26-W76 AromaticContact CE2-CE3 3.75Å; W26-W76 AromaticContact CE2-CZ3 3.85Å; W26-W76 HydrophobicContact CH2-CB 4.22Å; W26-W76 HydrophobicContact CH2-CE3 4.13Å; W26-W76 HydrophobicContact CZ2-CB 4.41Å; W26-W76 AromaticContact CZ2-CD2 3.82Å; W26-W76 HydrophobicContact CZ2-CD2 3.82Å; W26-W76 AromaticContact CZ2-CE3 3.34Å; W26-W76 HydrophobicContact CZ2-CE3 3.34Å; W26-W76 HydrophobicContact CZ2-CG 4.27Å; W26-W76 AromaticContact CZ2-CZ3 3.9Å; W26-W76 HydrophobicContact CZ2-CZ3 3.9Å; W26-W76 AromaticContact NE1-CE3 3.94Å; W26-W76 AromaticContact NE1-CZ3 3.53Å; W76-R78 PolarHBondContact O-N 2.94Å; W76-R82 VanDerWaalsContact CE3-C 3.45Å; W76-R82 VanDerWaalsContact CE3-O 3.28Å; W76-R82 VanDerWaalsContact CZ3-C 3.46Å; W76-C125 HydrophobicContact CB-CB 4.19Å; W76-C125 VanDerWaalsContact CD1-O 3.26Å; W76-C125 HydrophobicContact CG-CB 3.88Å; W76-C125 PolarHBondContact NE1-O 3.15Å; W76-Y126 AromaticContact CH2-CE1 3.94Å; W76-Y126 HydrophobicContact CH2-CE1 3.94Å; W76-Y126 AromaticContact CH2-CZ 3.66Å; W76-Y126 WeakPolarHBondContact CH2-OH 3.44Å; W76-Y126 HydrophobicContact CZ2-CD1 4.32Å; W76-Y126 AromaticContact CZ2-CE1 3.51Å; W76-Y126 HydrophobicContact CZ2-CE1 3.51Å; W76-Y126 HydrophobicContact CZ2-CE2 4.37Å; W76-Y126 AromaticContact CZ2-CZ 3.56Å
77D88.1Confident87Confident58 Ų5856.8 Ų56.831%0.3125%0.252SS..EExtended strand (participates in β ladder)trans-93.193.5171.8-173.9-22.3000109.3A79 R80 R81 R82D77-A79 PolarHBondContact O-N 2.98Å; D77-A79 WeakPolarHBondContact OD1-CA 3.44Å; D77-A79 WeakPolarHBondContact OD1-CB 3.4Å; D77-A79 PolarHBondContact OD1-N 2.95Å; D77-R80 HydrophobicContact CB-CB 4.28Å; D77-R80 PolarHBondContact O-N 2.66Å; D77-R80 PolarHBondContact OD1-N 3.15Å; D77-R80 WeakPolarHBondContact OD2-CB 3.01Å; D77-R80 WeakPolarHBondContact OD2-CD 3.49Å; D77-R80 WeakPolarHBondContact OD2-CG 3.39Å; D77-R80 IonicContact OD2-NE 3.67Å; D77-R81 WeakPolarHBondContact O-CA 3.44Å; D77-R81 PolarHBondContact O-N 2.93Å; D77-R82 PolarHBondContact N-O 3.35Å; D77-R82 PolarHBondContact O-N 3.41Å; D77-R82 VanDerWaalsContact O-N 3.07Å
78R85.6Confident87.8Confident193 Ų19354 Ų5473%0.72824%0.238SC*.THydrogen-bonded Turntrans-62.6-24.9177.8-170.6175.1-177160.23.8113.2W76 R81W76-R78 PolarHBondContact O-N 2.94Å; R78-R81 WeakPolarHBondContact O-CD 3.29Å
79A86.6Confident88.1Confident95 Ų9555.5 Ų55.579%0.78525%0.245SC*.THydrogen-bonded Turntrans-81.1-39.1179.800000111.8D77D77-A79 PolarHBondContact O-N 2.98Å; D77-A79 WeakPolarHBondContact OD1-CA 3.44Å; D77-A79 WeakPolarHBondContact OD1-CB 3.4Å; D77-A79 PolarHBondContact OD1-N 2.95Å
80R88.2Confident87.9Confident187 Ų18754.8 Ų54.871%0.70624%0.242SC*.THydrogen-bonded Turntrans-89.2-2174.9-61.1-175.6-177162.5-2.7114D77 R82D77-R80 HydrophobicContact CB-CB 4.28Å; D77-R80 PolarHBondContact O-N 2.66Å; D77-R80 PolarHBondContact OD1-N 3.15Å; D77-R80 WeakPolarHBondContact OD2-CB 3.01Å; D77-R80 WeakPolarHBondContact OD2-CD 3.49Å; D77-R80 WeakPolarHBondContact OD2-CG 3.39Å; D77-R80 IonicContact OD2-NE 3.67Å; R80-R82 VanDerWaalsContact C-N 3.25Å; R80-R82 HydrophobicContact CB-CB 4.36Å; R80-R82 HydrophobicContact CB-CG 4.45Å; R80-R82 WeakPolarHBondContact O-CG 3.43Å; R80-R82 PolarHBondContact O-N 3.17Å
81R88.4Confident87.1Confident120 Ų12055.8 Ų55.845%0.45325%0.252SS..THydrogen-bonded Turntrans54.141.8-176.7-55.7-66.1-65.5-116.4-4.4111.7D24 V25 D77 R78D24-R81 WeakPolarHBondContact CA-O 3.34Å; D24-R81 IonicContact OD1-CZ 3.1Å; D24-R81 IonicContact OD1-NE 2.68Å; D24-R81 PolarHBondContact OD1-NE 2.91Å; D24-R81 IonicContact OD1-NH2 3.7Å; D24-R81 PolarHBondContact OD1-NH2 2.9Å; D24-R81 IonicContact OD2-NE 3.98Å; D24-R81 IonicContact OD2-NH2 2.71Å; D24-R81 PolarHBondContact OD2-NH2 2.92Å; V25-R81 PolarHBondContact N-O 2.89Å; D77-R81 WeakPolarHBondContact O-CA 3.44Å; D77-R81 PolarHBondContact O-N 2.93Å; R78-R81 WeakPolarHBondContact O-CD 3.29Å
82R91.1Very high86Confident157 Ų15758.9 Ų58.959%0.59227%0.266SS*.EExtended strand (participates in β ladder)trans-129.2128.5-171.8-80.9172-169.8-136.9-1112V25 W76 D77 R80V25-R82 HydrophobicContact CB-CG 4.19Å; V25-R82 WeakPolarHBondContact O-CA 3.46Å; W76-R82 VanDerWaalsContact CE3-C 3.45Å; W76-R82 VanDerWaalsContact CE3-O 3.28Å; W76-R82 VanDerWaalsContact CZ3-C 3.46Å; D77-R82 PolarHBondContact N-O 3.35Å; D77-R82 PolarHBondContact O-N 3.41Å; D77-R82 VanDerWaalsContact O-N 3.07Å; R80-R82 VanDerWaalsContact C-N 3.25Å; R80-R82 HydrophobicContact CB-CB 4.36Å; R80-R82 HydrophobicContact CB-CG 4.45Å; R80-R82 WeakPolarHBondContact O-CG 3.43Å; R80-R82 PolarHBondContact O-N 3.17Å
83G91.6Very high85.1Confident6 Ų664.3 Ų64.36%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-116.9139.3174.900000112.1V25 W26 V27 W75V25-G83 PolarHBondContact O-N 3.06Å; W26-G83 WeakPolarHBondContact CA-O 3.12Å; V27-G83 PolarHBondContact N-O 3.19Å; W75-G83 CarbonylContact O-C 3.51Å; W75-G83 WeakPolarHBondContact O-CA 3.39Å
84L92Very high84.3Confident57 Ų5764.2 Ų64.230%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-119.5130173178.364.7000109.1V27 L29 L74 W75 K86V27-L84 HydrophobicContact CB-CD1 4.44Å; L29-L84 HydrophobicContact CD1-CD1 3.91Å; L29-L84 HydrophobicContact CG-CD1 4.12Å; L74-L84 CarbonylContact C-O 3.58Å; L74-L84 WeakPolarHBondContact CA-O 3.42Å; W75-L84 HydrophobicContact CE3-CB 4.49Å; W75-L84 HydrophobicContact CE3-CD2 4.25Å; W75-L84 HydrophobicContact CE3-CG 4.3Å; W75-L84 PolarHBondContact N-O 3.44Å; W75-L84 PolarHBondContact O-N 3.3Å; L84-K86 HydrophobicContact CD2-CG 4.46Å; L84-K86 HydrophobicContact CG-CG 4.49Å
85V92.7Very high83.2Confident0 Ų073.5 Ų73.50%033%0.327CS..EExtended strand (participates in β ladder)trans-115.2120.9168.1-177.50000108.5F13 W26 V27 L28 L29 F72 H73 L74 L117 I121F13-V85 HydrophobicContact CE1-CG2 4.06Å; F13-V85 HydrophobicContact CE2-CG2 4.48Å; F13-V85 HydrophobicContact CZ-CG2 3.68Å; W26-V85 HydrophobicContact CE3-CG2 3.96Å; W26-V85 HydrophobicContact CZ3-CG2 3.86Å; V27-V85 PolarHBondContact O-N 2.78Å; L28-V85 CarbonylContact C-O 3.57Å; L28-V85 VanDerWaalsContact CA-O 3.29Å; L28-V85 WeakPolarHBondContact CA-O 3.41Å; L28-V85 HydrophobicContact CB-CB 4.27Å; L28-V85 HydrophobicContact CD1-CG1 4.19Å; L28-V85 HydrophobicContact CG-CB 4.28Å; L28-V85 HydrophobicContact CG-CG1 4.24Å; L29-V85 PolarHBondContact N-O 3.34Å; F72-V85 HydrophobicContact CB-CG1 3.98Å; F72-V85 HydrophobicContact CD1-CG1 3.77Å; F72-V85 HydrophobicContact CG-CG1 4.35Å; H73-V85 CarbonylContact O-C 3.46Å; H73-V85 WeakPolarHBondContact O-CA 3.33Å; L74-V85 HydrophobicContact CD2-CG2 4.18Å; L74-V85 HydrophobicContact CG-CG2 4.21Å; V85-L117 HydrophobicContact CG1-CD1 4.48Å; V85-L117 HydrophobicContact CG1-CD2 4.21Å; V85-I121 HydrophobicContact CG2-CD1 4.18Å
86K90.9Very high82.2Confident56 Ų5676.5 Ų76.524%0.24335%0.347CS..EExtended strand (participates in β ladder)trans-97.7134.7164.9-70173.7138.9-140.30108.5L29 E31 L34 F72 H73 W75 L84L29-K86 CarbonylContact O-C 3.55Å; L29-K86 WeakPolarHBondContact O-CA 3.32Å; E31-K86 IonicContact OE1-NZ 3.34Å; E31-K86 PolarHBondContact OE1-NZ 2.82Å; E31-K86 WeakPolarHBondContact OE2-CD 3.48Å; E31-K86 WeakPolarHBondContact OE2-CE 3.39Å; E31-K86 WeakPolarHBondContact OE2-CG 3.29Å; E31-K86 IonicContact OE2-NZ 3.02Å; E31-K86 PolarHBondContact OE2-NZ 2.92Å; L34-K86 HydrophobicContact CD1-CB 3.84Å; L34-K86 HydrophobicContact CD2-CB 4.33Å; L34-K86 WeakPolarHBondContact CD2-O 3.45Å; F72-K86 CarbonylContact C-O 3.59Å; F72-K86 WeakPolarHBondContact CA-O 3.36Å; H73-K86 HydrophobicContact CB-CB 4.45Å; H73-K86 PolarHBondContact N-O 3.26Å; H73-K86 PolarHBondContact O-N 3.02Å; W75-K86 HydrophobicContact CH2-CB 4.39Å; W75-K86 HydrophobicContact CH2-CD 3.63Å; W75-K86 HydrophobicContact CH2-CG 4.28Å; W75-K86 HydrophobicContact CZ3-CB 3.92Å; W75-K86 HydrophobicContact CZ3-CD 3.59Å; W75-K86 HydrophobicContact CZ3-CG 3.77Å; L84-K86 HydrophobicContact CD2-CG 4.46Å; L84-K86 HydrophobicContact CG-CG 4.49Å
87M89.3Confident81.4Confident2 Ų275.1 Ų75.11%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-130.5138.3-168.5-171.6-173.588.900112.6M1 W9 L28 L29 P30 E31 V70 L71 F72 I89M1-M87 HydrophobicContact CE-CE 4.35Å; M1-M87 HydrophobicContact SD-CE 4.44Å; W9-M87 HydrophobicContact CB-CE 4.31Å; W9-M87 HydrophobicContact CD2-CE 3.63Å; W9-M87 HydrophobicContact CD2-SD 4.1Å; W9-M87 HydrophobicContact CE3-CE 3.53Å; W9-M87 HydrophobicContact CE3-SD 3.36Å; W9-M87 HydrophobicContact CG-CE 4.01Å; W9-M87 HydrophobicContact CZ3-CE 4.05Å; W9-M87 HydrophobicContact CZ3-SD 3.65Å; L28-M87 HydrophobicContact CD1-SD 4.01Å; L28-M87 HydrophobicContact CD2-CB 4.19Å; L28-M87 HydrophobicContact CD2-CE 4.44Å; L28-M87 HydrophobicContact CD2-SD 4.03Å; L28-M87 HydrophobicContact CG-CB 4.33Å; L28-M87 HydrophobicContact CG-SD 4.47Å; L29-M87 PolarHBondContact O-N 2.8Å; P30-M87 CarbonylContact C-O 3.58Å; P30-M87 WeakPolarHBondContact CA-O 3.41Å; P30-M87 HydrophobicContact CG-CE 4.43Å; E31-M87 PolarHBondContact N-O 2.94Å; V70-M87 HydrophobicContact CG1-CG 3.61Å; V70-M87 HydrophobicContact CG1-SD 3.93Å; L71-M87 CarbonylContact O-C 3.53Å; L71-M87 WeakPolarHBondContact O-CA 3.17Å; F72-M87 HydrophobicContact CD1-CB 4.12Å; F72-M87 HydrophobicContact CD1-CG 3.64Å; F72-M87 HydrophobicContact CD1-SD 4.11Å; F72-M87 HydrophobicContact CE1-CB 4.44Å; F72-M87 HydrophobicContact CE1-CG 3.58Å; F72-M87 HydrophobicContact CE1-SD 3.49Å; F72-M87 WeakPolarHBondContact CE1-SD 3.33Å; F72-M87 HydrophobicContact CZ-CG 4.5Å; F72-M87 HydrophobicContact CZ-SD 4.33Å; M87-I89 HydrophobicContact CE-CD1 3.94Å; M87-I89 HydrophobicContact CE-CG1 3.86Å
88R85.1Confident79.9Confident40 Ų4079.3 Ų79.315%0.15138%0.377CS..EExtended strand (participates in β ladder)trans-133.6137.4166.5-176.3174.1172.4-175.83.9111.5H32 L34 V70 L71 W90 E145H32-R88 WeakPolarHBondContact O-CD 3.42Å; H32-R88 PolarHBondContact O-NE 3.21Å; H32-R88 PolarHBondContact O-NH1 3.13Å; L34-R88 HydrophobicContact CB-CB 3.67Å; L34-R88 HydrophobicContact CD2-CB 4.29Å; L34-R88 WeakPolarHBondContact O-CD 3.35Å; L34-R88 PolarHBondContact O-NH1 2.82Å; V70-R88 CarbonylContact C-O 3.6Å; V70-R88 WeakPolarHBondContact CA-O 3.33Å; L71-R88 PolarHBondContact N-O 2.97Å; L71-R88 PolarHBondContact O-N 3Å; R88-W90 HydrophobicContact CB-CH2 3.92Å; R88-W90 HydrophobicContact CB-CZ2 4.47Å; R88-W90 HydrophobicContact CB-CZ3 4.04Å; R88-W90 VanDerWaalsContact CD-CZ2 3.4Å; R88-W90 HydrophobicContact CG-CD2 4.37Å; R88-W90 HydrophobicContact CG-CE3 4.33Å; R88-W90 HydrophobicContact CG-CH2 3.88Å; R88-W90 HydrophobicContact CG-CZ2 3.97Å; R88-W90 HydrophobicContact CG-CZ3 4.06Å; R88-W90 WeakPolarHBondContact O-CZ3 3.46Å; R88-E145 IonicContact NH2-OE1 2.69Å
89I82Confident78.8Confident30 Ų3073.1 Ų73.115%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-101.7136.4172.2-50.6178.9000108.6M1 W9 V68 H69 V70 M87 V105M1-I89 HydrophobicContact CE-CD1 4.11Å; M1-I89 HydrophobicContact SD-CD1 3.89Å; W9-I89 HydrophobicContact CH2-CD1 4.31Å; W9-I89 HydrophobicContact CZ2-CD1 3.73Å; V68-I89 HydrophobicContact CG1-CG2 3.68Å; H69-I89 CarbonylContact O-C 3.56Å; H69-I89 WeakPolarHBondContact O-CA 3.18Å; V70-I89 HydrophobicContact CG1-CG1 4.28Å; V70-I89 HydrophobicContact CG2-CG1 4.25Å; V70-I89 HydrophobicContact CG2-CG2 4.38Å; M87-I89 HydrophobicContact CE-CD1 3.94Å; M87-I89 HydrophobicContact CE-CG1 3.86Å; I89-V105 HydrophobicContact CD1-CG2 4.12Å; I89-V105 HydrophobicContact CG2-CG2 4.36Å
90W75.1Confident77.3Confident12 Ų1273.3 Ų73.35%0.04536%0.36CS..EExtended strand (participates in β ladder)trans-113.9119.2157.8-59.4-103000108.2H69 L71 R88H69-W90 HydrophobicContact CB-CB 4.46Å; H69-W90 HydrophobicContact CB-CE3 4.31Å; H69-W90 PolarHBondContact N-O 3.17Å; H69-W90 PolarHBondContact O-N 3.22Å; L71-W90 HydrophobicContact CB-CH2 3.6Å; L71-W90 HydrophobicContact CB-CZ3 3.38Å; L71-W90 HydrophobicContact CD2-CH2 3.79Å; L71-W90 HydrophobicContact CD2-CZ3 4.44Å; L71-W90 HydrophobicContact CG-CH2 4.38Å; R88-W90 HydrophobicContact CB-CH2 3.92Å; R88-W90 HydrophobicContact CB-CZ2 4.47Å; R88-W90 HydrophobicContact CB-CZ3 4.04Å; R88-W90 VanDerWaalsContact CD-CZ2 3.4Å; R88-W90 HydrophobicContact CG-CD2 4.37Å; R88-W90 HydrophobicContact CG-CE3 4.33Å; R88-W90 HydrophobicContact CG-CH2 3.88Å; R88-W90 HydrophobicContact CG-CZ2 3.97Å; R88-W90 HydrophobicContact CG-CZ3 4.06Å; R88-W90 WeakPolarHBondContact O-CZ3 3.46Å
91G67.6Low75.8Confident20 Ų2064.9 Ų64.921%0.20633%0.331CS..PPolyproline II helixtrans-102.8168.7170.400000111.6
92Q64.8Low74.7Confident66 Ų6663.2 Ų63.231%0.30833%0.331SS..PPolyproline II helixtrans-67.2137.6165-63.7-175.4-9.800109.7L54 W63 C103L54-Q92 HydrophobicContact CD1-CB 4.39Å; W63-Q92 WeakPolarHBondContact CZ2-O 3.5Å; Q92-C103 PolarHBondContact O-SG 3.11Å
93R68.8Low73.6Confident114 Ų11456.9 Ų56.943%0.4331%0.31SS..PPolyproline II helixtrans-65.5144.9178.4-65.5177.1-179.71565.3111.1K95 E145 E148R93-K95 PolarHBondContact O-N 3.13Å; R93-E145 IonicContact CZ-OE2 3.34Å; R93-E145 VanDerWaalsContact CZ-OE2 3.26Å; R93-E145 IonicContact NE-OE2 3Å; R93-E145 PolarHBondContact NE-OE2 2.92Å; R93-E145 IonicContact NH2-OE2 2.66Å; R93-E145 PolarHBondContact NH2-OE2 2.82Å; R93-E148 IonicContact CZ-OE2 2.66Å; R93-E148 IonicContact NH1-OE1 3.15Å; R93-E148 IonicContact NH1-OE2 2.66Å; R93-E148 IonicContact NH2-OE2 2.7Å; R93-E148 PolarHBondContact NH2-OE2 2.9Å
94C72.3Confident72.7Confident8 Ų858 Ų585%0.05431%0.314CS..PPolyproline II helixtrans-67.9117.2-177.7-170.90000112.5C56 W63 L96 C97 C103C56-C94 HydrophobicContact CB-CB 4.05Å; W63-C94 HydrophobicContact CH2-CB 3.51Å; W63-C94 HydrophobicContact CZ2-CB 4.2Å; W63-C94 HydrophobicContact CZ3-CB 3.97Å; W63-C94 WeakPolarHBondContact CZ3-SG 3.39Å; C94-L96 PolarHBondContact O-N 2.83Å; C94-C97 HydrophobicContact CB-CB 4.4Å; C94-C97 PolarHBondContact O-N 3.29Å; C94-C103 PolarHBondContact N-SG 3.46Å
95K66.8Low71.7Confident199 Ų19955.6 Ų55.687%0.86530%0.301SS*.THydrogen-bonded Turntrans-68.9-9.7179.3-60.6-175.5-178.4-179.40114.9R93R93-K95 PolarHBondContact O-N 3.13Å
96L68.4Low70.5Confident131 Ų13161.1 Ų61.169%0.68632%0.322SS*.THydrogen-bonded Turntrans-97.2-8.9-178.3-62.1173.9000113.3C94C94-L96 PolarHBondContact O-N 2.83Å
97C73.2Confident69.1Low26 Ų2661.9 Ų61.918%0.17633%0.333CS..  trans-105.5129.8-178.3-66.70000110.1C59 C94 A99C59-C97 VanDerWaalsContact SG-SG 3.64Å; C94-C97 HydrophobicContact CB-CB 4.4Å; C94-C97 PolarHBondContact O-N 3.29Å; C97-A99 VanDerWaalsContact CB-O 3.23Å; C97-A99 WeakPolarHBondContact CB-O 3.39Å; C97-A99 PolarHBondContact O-N 3.15Å
98P58.5Low67.4Low147 Ų14765.8 Ų65.896%0.95536%0.359SS*.SBendtrans-73-18.4178.529.9-35.2000113.1
99A60.7Low66.5Low62 Ų6264.6 Ų64.651%0.51236%0.359SS..SBendtrans-104.5145.2165.200000109.3C97 G101C97-A99 VanDerWaalsContact CB-O 3.23Å; C97-A99 WeakPolarHBondContact CB-O 3.39Å; C97-A99 PolarHBondContact O-N 3.15Å; A99-G101 PolarHBondContact O-N 3.04Å
100P56.4Low66.3Low100 Ų10063.3 Ų63.365%0.64935%0.352SS*.  trans-67.696.6177.429-34.8000110.1
101G57.1Low66.5Low9 Ų970.5 Ų70.59%0.09338%0.379CS..  trans-80.9147.1-179.500000113.3H58 A99 C103H58-G101 VanDerWaalsContact CD2-CA 3.49Å; H58-G101 WeakPolarHBondContact CD2-CA 3.36Å; A99-G101 PolarHBondContact O-N 3.04Å; G101-C103 PolarHBondContact O-N 3.14Å; G101-C103 PolarHBondContact O-SG 3.34Å
102D64.2Low66.9Low86 Ų8673.1 Ų73.146%0.4639%0.392SS..  trans-60.2122.5176.2-124.736.5000110.3M1 S57M1-D102 PolarHBondContact N-OD2 2.82Å; S57-D102 WeakPolarHBondContact CB-O 3.26Å; S57-D102 PolarHBondContact N-O 2.89Å; S57-D102 PolarHBondContact OG-O 2.91Å
103C69.1Low67.7Low23 Ų2370.2 Ų70.216%0.15538%0.379CS..EExtended strand (participates in β ladder)trans-107131.1-175.6-64.30000110.4W63 Q92 C94 G101W63-C103 HydrophobicContact CH2-CB 4.35Å; W63-C103 HydrophobicContact CZ2-CB 4.19Å; Q92-C103 PolarHBondContact O-SG 3.11Å; C94-C103 PolarHBondContact N-SG 3.46Å; G101-C103 PolarHBondContact O-N 3.14Å; G101-C103 PolarHBondContact O-SG 3.34Å
104Q72.4Confident68.6Low29 Ų2964.9 Ų64.914%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-120.1146.5-171.8-54.6-162.796.500111.1M1 D2 L54 Q55 R106M1-Q104 VanDerWaalsContact CA-OE1 3.22Å; D2-Q104 PolarHBondContact OD2-NE2 2.79Å; L54-Q104 CarbonylContact C-O 3.58Å; L54-Q104 WeakPolarHBondContact CA-O 3.37Å; Q55-Q104 PolarHBondContact N-O 2.88Å; Q55-Q104 PolarHBondContact O-N 2.81Å; Q104-R106 PolarHBondContact O-N 3.44Å
105V69.6Low69.1Low7 Ų767.8 Ų67.84%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-69.5121.6170.3167.30000108.7W9 S52 L54 V68 I89W9-V105 HydrophobicContact CZ2-CB 3.95Å; W9-V105 HydrophobicContact CZ2-CG1 3.93Å; W9-V105 HydrophobicContact CZ2-CG2 4.11Å; S52-V105 WeakPolarHBondContact OG-CG1 3.26Å; L54-V105 HydrophobicContact CD2-CG2 4.05Å; V68-V105 HydrophobicContact CG1-CG2 4.03Å; I89-V105 HydrophobicContact CD1-CG2 4.12Å; I89-V105 HydrophobicContact CG2-CG2 4.36Å
106R68.3Low69.9Low116 Ų11665.1 Ų65.144%0.43836%0.364SS..PPolyproline II helixtrans-79.1131.9177.9-176.1-177.7168.7104.2-3.4109.7R53 Q55 Q104 G109R53-R106 HydrophobicContact CG-CB 4.38Å; R53-R106 WeakPolarHBondContact O-CB 3.32Å; R53-R106 PolarHBondContact O-N 3.1Å; Q55-R106 HydrophobicContact CB-CB 4.18Å; Q104-R106 PolarHBondContact O-N 3.44Å; R106-G109 WeakPolarHBondContact O-CA 3.41Å; R106-G109 PolarHBondContact O-N 2.97Å
107P60.7Low70.9Confident72 Ų7258.9 Ų58.947%0.46833%0.331SS..THydrogen-bonded Turntrans-62.9147.7176.621.3-30000113.4M8 G109 E110M8-P107 HydrophobicContact CE-CB 3.85Å; M8-P107 HydrophobicContact CE-CG 4.03Å; M8-P107 HydrophobicContact SD-CB 3.52Å; M8-P107 VanDerWaalsContact SD-CB 3.52Å; M8-P107 HydrophobicContact SD-CG 3.63Å; P107-G109 VanDerWaalsContact C-N 3.34Å; P107-E110 VanDerWaalsContact CA-OE2 3.28Å; P107-E110 WeakPolarHBondContact CA-OE2 3.48Å
108P55Low71.6Confident84 Ų8458.1 Ų58.155%0.54533%0.326SS..THydrogen-bonded Turncis-89.631.42.337.5-36.9000114.2E110 R111P108-E110 VanDerWaalsContact CA-OE1 3.32Å; P108-E110 WeakPolarHBondContact CA-OE1 3.41Å; P108-E110 WeakPolarHBondContact CA-OE2 3.43Å; P108-E110 PolarHBondContact O-N 3.47Å; P108-E110 VanDerWaalsContact O-N 3.1Å; P108-R111 HydrophobicContact CB-CG 4.4Å; P108-R111 PolarHBondContact O-N 3.43Å
109G65Low72.8Confident15 Ų1555.8 Ų55.816%0.15531%0.305CS..THydrogen-bonded Turntrans-65.6-6.6-174.500000116S52 R106 P107 F113S52-G109 PolarHBondContact OG-O 2.98Å; S52-G109 VanDerWaalsContact OG-O 3.11Å; R106-G109 WeakPolarHBondContact O-CA 3.41Å; R106-G109 PolarHBondContact O-N 2.97Å; P107-G109 VanDerWaalsContact C-N 3.34Å; G109-F113 VanDerWaalsContact O-CD2 3.28Å; G109-F113 WeakPolarHBondContact O-CD2 3.42Å; G109-F113 WeakPolarHBondContact O-CE2 3.49Å
110E78.2Confident73.8Confident4 Ų453.5 Ų53.52%0.01928%0.283CS..THydrogen-bonded Turntrans-75.4-33.7173.268.7-65.6149.600113.6M8 W9 T12 P107 P108 P112 F113 L114M8-E110 HydrophobicContact CE-CG 4.42Å; W9-E110 HydrophobicContact CD2-CB 3.63Å; W9-E110 HydrophobicContact CE3-CB 4.08Å; W9-E110 HydrophobicContact CG-CB 4.16Å; W9-E110 HydrophobicContact CH2-CB 3.98Å; W9-E110 HydrophobicContact CZ2-CB 3.49Å; W9-E110 VanDerWaalsContact CZ2-CB 3.49Å; W9-E110 HydrophobicContact CZ3-CB 4.24Å; T12-E110 HydrophobicContact CG2-CG 4.48Å; P107-E110 VanDerWaalsContact CA-OE2 3.28Å; P107-E110 WeakPolarHBondContact CA-OE2 3.48Å; P108-E110 VanDerWaalsContact CA-OE1 3.32Å; P108-E110 WeakPolarHBondContact CA-OE1 3.41Å; P108-E110 WeakPolarHBondContact CA-OE2 3.43Å; P108-E110 PolarHBondContact O-N 3.47Å; P108-E110 VanDerWaalsContact O-N 3.1Å; E110-P112 VanDerWaalsContact C-CD 3.48Å; E110-F113 PolarHBondContact O-N 3.44Å; E110-L114 HydrophobicContact CB-CD1 4.32Å; E110-L114 HydrophobicContact CG-CD1 4.13Å; E110-L114 PolarHBondContact O-N 3.09Å
111R79.3Confident75.3Confident163 Ų16348.7 Ų48.762%0.61525%0.252SS*.Hα-helixtrans-57.8-40.2-170.2-57.2-177-177.5-166.7-4.4114.4P108 F113 L114 S115P108-R111 HydrophobicContact CB-CG 4.4Å; P108-R111 PolarHBondContact O-N 3.43Å; R111-F113 VanDerWaalsContact C-N 3.28Å; R111-F113 PolarHBondContact O-N 3.29Å; R111-L114 PolarHBondContact O-N 2.96Å; R111-S115 VanDerWaalsContact O-CB 3.28Å; R111-S115 WeakPolarHBondContact O-CB 3.42Å; R111-S115 PolarHBondContact O-N 3.11Å
112P75.8Confident76.5Confident74 Ų7449.2 Ų49.248%0.48125%0.253SS..Hα-helixtrans-64-31.6177.4-22.635.2000113.5E110 R116E110-P112 VanDerWaalsContact C-CD 3.48Å; P112-R116 WeakPolarHBondContact O-CG 3.41Å; P112-R116 PolarHBondContact O-N 2.9Å
113F83.1Confident77.3Confident5 Ų547.1 Ų47.12%0.02224%0.24CC..Hα-helixtrans-77.7-45.9179.1-61-98.9000110.7W9 L48 V68 V70 G109 E110 R111 S115 R116 L117W9-F113 HydrophobicContact CH2-CB 3.74Å; W9-F113 HydrophobicContact CH2-CD2 4.16Å; W9-F113 AromaticContact CH2-CG 3.98Å; W9-F113 HydrophobicContact CH2-CG 3.98Å; W9-F113 HydrophobicContact CZ3-CB 3.85Å; L48-F113 HydrophobicContact CD2-CB 4.01Å; L48-F113 HydrophobicContact CD2-CD1 3.76Å; L48-F113 HydrophobicContact CD2-CG 4.25Å; L48-F113 HydrophobicContact CG-CD1 4.02Å; V68-F113 HydrophobicContact CB-CE1 4.49Å; V68-F113 HydrophobicContact CB-CZ 4.16Å; V68-F113 HydrophobicContact CG1-CE1 4.49Å; V68-F113 HydrophobicContact CG1-CZ 4.34Å; V70-F113 HydrophobicContact CB-CD1 4.29Å; V70-F113 HydrophobicContact CG2-CD1 3.56Å; V70-F113 HydrophobicContact CG2-CE1 3.83Å; V70-F113 HydrophobicContact CG2-CG 4.31Å; G109-F113 VanDerWaalsContact O-CD2 3.28Å; G109-F113 WeakPolarHBondContact O-CD2 3.42Å; G109-F113 WeakPolarHBondContact O-CE2 3.49Å; E110-F113 PolarHBondContact O-N 3.44Å; R111-F113 VanDerWaalsContact C-N 3.28Å; R111-F113 PolarHBondContact O-N 3.29Å; F113-S115 PolarHBondContact O-N 2.97Å; F113-R116 PolarHBondContact O-N 3.12Å; F113-L117 PolarHBondContact O-N 3.03Å
114L87Confident77.8Confident3 Ų350 Ų502%0.01625%0.254CS..Hα-helixtrans-63.7-39.3177.3-67.9179.9000112.4W9 T12 F13 L28 E110 R111 R116 L117 V118W9-L114 HydrophobicContact CE3-CD1 4.21Å; W9-L114 HydrophobicContact CE3-CD2 3.69Å; W9-L114 HydrophobicContact CE3-CG 3.85Å; W9-L114 HydrophobicContact CZ3-CD2 4.02Å; W9-L114 HydrophobicContact CZ3-CG 4.05Å; T12-L114 HydrophobicContact CG2-CD1 3.63Å; F13-L114 HydrophobicContact CB-CD1 4.31Å; F13-L114 HydrophobicContact CB-CD2 3.88Å; F13-L114 HydrophobicContact CD2-CD2 4.14Å; F13-L114 HydrophobicContact CG-CD2 4.39Å; L28-L114 HydrophobicContact CD1-CD2 3.88Å; E110-L114 HydrophobicContact CB-CD1 4.32Å; E110-L114 HydrophobicContact CG-CD1 4.13Å; E110-L114 PolarHBondContact O-N 3.09Å; R111-L114 PolarHBondContact O-N 2.96Å; L114-R116 PolarHBondContact O-N 3.09Å; L114-L117 HydrophobicContact CD2-CD2 4.14Å; L114-L117 WeakPolarHBondContact O-CB 3.25Å; L114-L117 PolarHBondContact O-N 2.94Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.23Å
115S82.2Confident78.2Confident68 Ų6849.7 Ų49.748%0.47626%0.255SS..Hα-helixtrans-58.6-45.4174.5-179.50000112.2R111 F113 V118 L119R111-S115 VanDerWaalsContact O-CB 3.28Å; R111-S115 WeakPolarHBondContact O-CB 3.42Å; R111-S115 PolarHBondContact O-N 3.11Å; F113-S115 PolarHBondContact O-N 2.97Å; S115-V118 PolarHBondContact O-N 2.86Å; S115-L119 WeakPolarHBondContact O-CG 3.49Å; S115-L119 PolarHBondContact O-N 2.78Å; S115-L119 VanDerWaalsContact O-N 3.09Å
116R84.4Confident78.7Confident144 Ų14451.4 Ų51.454%0.54326%0.261SS..Hα-helixtrans-67-39.5176.7-70.6178.1179.6-138.90112.7L48 P112 F113 L114 L119 H120L48-R116 HydrophobicContact CD2-CB 3.82Å; P112-R116 WeakPolarHBondContact O-CG 3.41Å; P112-R116 PolarHBondContact O-N 2.9Å; F113-R116 PolarHBondContact O-N 3.12Å; L114-R116 PolarHBondContact O-N 3.09Å; R116-L119 PolarHBondContact O-N 2.87Å; R116-H120 PolarHBondContact O-N 2.95Å
117L88.6Confident78.8Confident0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-60.1-47.7173.4175.769.7000111.9F13 L28 Y46 F72 L74 V85 F113 L114 L119 H120 I121F13-L117 HydrophobicContact CD2-CD2 3.64Å; F13-L117 HydrophobicContact CE2-CD2 3.44Å; F13-L117 VanDerWaalsContact CE2-CD2 3.44Å; F13-L117 HydrophobicContact CE2-CG 4Å; F13-L117 HydrophobicContact CZ-CD2 4.24Å; L28-L117 HydrophobicContact CD1-CD2 3.98Å; Y46-L117 HydrophobicContact CD1-CD1 4.17Å; F72-L117 HydrophobicContact CB-CD1 3.95Å; F72-L117 HydrophobicContact CD1-CD1 3.82Å; F72-L117 HydrophobicContact CD1-CD2 3.74Å; F72-L117 HydrophobicContact CD1-CG 4.32Å; F72-L117 HydrophobicContact CD2-CD1 4.1Å; F72-L117 HydrophobicContact CE1-CB 4.48Å; F72-L117 HydrophobicContact CE1-CD1 4.27Å; F72-L117 HydrophobicContact CE1-CD2 3.65Å; F72-L117 HydrophobicContact CE1-CG 4.35Å; F72-L117 HydrophobicContact CG-CD1 3.7Å; F72-L117 HydrophobicContact CG-CD2 4.47Å; F72-L117 HydrophobicContact CZ-CB 4.34Å; F72-L117 HydrophobicContact CZ-CD2 4.31Å; L74-L117 HydrophobicContact CD2-CD1 3.93Å; V85-L117 HydrophobicContact CG1-CD1 4.48Å; V85-L117 HydrophobicContact CG1-CD2 4.21Å; F113-L117 PolarHBondContact O-N 3.03Å; L114-L117 HydrophobicContact CD2-CD2 4.14Å; L114-L117 WeakPolarHBondContact O-CB 3.25Å; L114-L117 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L117-L119 PolarHBondContact O-N 2.96Å; L117-H120 PolarHBondContact O-N 3.29Å; L117-I121 HydrophobicContact CD1-CD1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.94Å; L117-I121 WeakPolarHBondContact O-CG1 3.28Å; L117-I121 PolarHBondContact O-N 2.71Å
118V88.4Confident79.3Confident10 Ų1049.4 Ų49.46%0.06127%0.268CS..Hα-helixtrans-61.5-42.8179.1169.60000110.8F13 A16 M17 R20 L114 S115 I121 L122F13-V118 HydrophobicContact CD2-CG2 4.18Å; F13-V118 HydrophobicContact CE2-CG2 4.15Å; A16-V118 HydrophobicContact CB-CG2 4.01Å; M17-V118 HydrophobicContact CG-CG2 4.25Å; M17-V118 HydrophobicContact SD-CB 4.17Å; M17-V118 HydrophobicContact SD-CG1 3.87Å; M17-V118 HydrophobicContact SD-CG2 3.78Å; R20-V118 HydrophobicContact CG-CG1 4.17Å; L114-V118 VanDerWaalsContact O-CG2 3.26Å; L114-V118 WeakPolarHBondContact O-CG2 3.35Å; L114-V118 PolarHBondContact O-N 3.23Å; S115-V118 PolarHBondContact O-N 2.86Å; V118-I121 PolarHBondContact O-N 3Å; V118-L122 HydrophobicContact CG1-CD1 4.01Å; V118-L122 VanDerWaalsContact O-CG 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 2.83Å
119L82.7Confident78.9Confident98 Ų9847 Ų4751%0.51326%0.259SS..Hα-helixtrans-62.1-43.3175.2-70.9170.6000112.4S115 R116 L117 L122 Q123S115-L119 WeakPolarHBondContact O-CG 3.49Å; S115-L119 PolarHBondContact O-N 2.78Å; S115-L119 VanDerWaalsContact O-N 3.09Å; R116-L119 PolarHBondContact O-N 2.87Å; L117-L119 VanDerWaalsContact C-N 3.35Å; L117-L119 PolarHBondContact O-N 2.96Å; L119-L122 PolarHBondContact O-N 3.43Å; L119-Q123 WeakPolarHBondContact O-CB 3.47Å; L119-Q123 PolarHBondContact O-N 3.08Å
120H82.5Confident77.9Confident13 Ų1355.4 Ų55.46%0.0630%0.299CS..Hα-helixtrans-64.3-38.7175.9174.853.1000112.4Y46 R116 L117 Q123 D124Y46-H120 WeakPolarHBondContact CB-NE2 3.35Å; Y46-H120 AromaticContact CD1-CD2 3.76Å; Y46-H120 AromaticContact CD2-CD2 3.44Å; Y46-H120 VanDerWaalsContact CD2-CD2 3.44Å; Y46-H120 WeakPolarHBondContact CD2-CD2 3.45Å; Y46-H120 AromaticContact CD2-CG 3.88Å; Y46-H120 AromaticContact CD2-NE2 3.56Å; Y46-H120 HydrophobicContact CE1-CB 4.4Å; Y46-H120 HydrophobicContact CE2-CB 4.33Å; Y46-H120 AromaticContact CG-CD2 3.3Å; Y46-H120 AromaticContact CG-NE2 3.61Å; R116-H120 PolarHBondContact O-N 2.95Å; L117-H120 PolarHBondContact O-N 3.29Å; H120-Q123 PolarHBondContact O-N 2.9Å; H120-D124 IonicContact CE1-OD2 3.75Å; H120-D124 PolarHBondContact CE1-OD2 3.29Å; H120-D124 IonicContact ND1-OD1 3.26Å; H120-D124 IonicContact ND1-OD2 3.94Å; H120-D124 PolarHBondContact ND1-OD2 2.91Å; H120-D124 WeakPolarHBondContact O-CB 3.41Å; H120-D124 PolarHBondContact O-N 2.81Å
121I87.1Confident75.9Confident0 Ų057.1 Ų57.10%032%0.318CS..Hα-helixtrans-61.6-48.8173.1-72.6164.6000111.1F13 M17 W26 L74 V85 L117 V118 Q123 C125 Y126F13-I121 HydrophobicContact CE2-CD1 3.68Å; F13-I121 HydrophobicContact CZ-CD1 3.64Å; M17-I121 HydrophobicContact CE-CG2 3.66Å; M17-I121 HydrophobicContact SD-CB 4.48Å; M17-I121 HydrophobicContact SD-CD1 4.18Å; M17-I121 HydrophobicContact SD-CG2 4.15Å; W26-I121 HydrophobicContact CD2-CG2 4.45Å; W26-I121 HydrophobicContact CE3-CD1 3.95Å; W26-I121 HydrophobicContact CH2-CD1 4.21Å; W26-I121 HydrophobicContact CH2-CG1 4.09Å; W26-I121 HydrophobicContact CH2-CG2 3.65Å; W26-I121 HydrophobicContact CZ2-CG2 3.44Å; W26-I121 VanDerWaalsContact CZ2-CG2 3.44Å; W26-I121 HydrophobicContact CZ3-CD1 3.75Å; W26-I121 HydrophobicContact CZ3-CG1 4.09Å; W26-I121 HydrophobicContact CZ3-CG2 4.24Å; L74-I121 HydrophobicContact CD2-CD1 3.86Å; L74-I121 HydrophobicContact CD2-CG1 3.39Å; V85-I121 HydrophobicContact CG2-CD1 4.18Å; L117-I121 HydrophobicContact CD1-CD1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.94Å; L117-I121 WeakPolarHBondContact O-CG1 3.28Å; L117-I121 PolarHBondContact O-N 2.71Å; V118-I121 PolarHBondContact O-N 3Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.67Å; I121-C125 HydrophobicContact CG2-CB 4.28Å; I121-C125 WeakPolarHBondContact O-CA 3.28Å; I121-C125 WeakPolarHBondContact O-CB 3.11Å; I121-C125 PolarHBondContact O-N 3.24Å; I121-Y126 HydrophobicContact CG2-CD2 4.18Å; I121-Y126 HydrophobicContact CG2-CE2 3.84Å
122L83.9Confident73.8Confident19 Ų1955.4 Ų55.410%0.09933%0.328CS..Iπ-helixtrans-62-38178.9-67.8170.5000111.9R20 K21 V118 L119 Y126 G127 D128R20-L122 HydrophobicContact CB-CD1 4.21Å; R20-L122 HydrophobicContact CB-CD2 4.26Å; R20-L122 HydrophobicContact CG-CD1 4.16Å; K21-L122 HydrophobicContact CD-CD2 4.28Å; K21-L122 HydrophobicContact CG-CD2 3.92Å; V118-L122 HydrophobicContact CG1-CD1 4.01Å; V118-L122 VanDerWaalsContact O-CG 3.29Å; V118-L122 WeakPolarHBondContact O-CG 3.45Å; V118-L122 PolarHBondContact O-N 2.83Å; L119-L122 PolarHBondContact O-N 3.43Å; L122-Y126 HydrophobicContact CD2-CD2 4.41Å; L122-Y126 WeakPolarHBondContact O-CB 3.28Å; L122-G127 PolarHBondContact O-N 2.95Å; L122-D128 HydrophobicContact CB-CB 4.44Å; L122-D128 PolarHBondContact O-N 3.02Å
123Q80Confident71.7Confident43 Ų4355.9 Ų55.920%0.20133%0.33CS..Iπ-helixtrans-68.6-54.7176.6-170.4160.524.100111.9L119 H120 I121 G127 G131 T133L119-Q123 WeakPolarHBondContact O-CB 3.47Å; L119-Q123 PolarHBondContact O-N 3.08Å; H120-Q123 PolarHBondContact O-N 2.9Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.67Å; Q123-G127 VanDerWaalsContact O-CA 3.24Å; Q123-G127 WeakPolarHBondContact O-CA 3.46Å; Q123-G127 PolarHBondContact O-N 3.11Å; Q123-G127 VanDerWaalsContact O-N 3.1Å; Q123-G131 PolarHBondContact NE2-O 2.93Å; Q123-T133 PolarHBondContact NE2-OG1 3.26Å; Q123-T133 PolarHBondContact OE1-OG1 3.03Å
124D78.9Confident69.3Low82 Ų8266.8 Ų66.844%0.43937%0.371SS..Iπ-helixtrans-95.1-30.3-164.7-68.128.3000113.6H120H120-D124 IonicContact CE1-OD2 3.75Å; H120-D124 PolarHBondContact CE1-OD2 3.29Å; H120-D124 IonicContact ND1-OD1 3.26Å; H120-D124 IonicContact ND1-OD2 3.94Å; H120-D124 PolarHBondContact ND1-OD2 2.91Å; H120-D124 WeakPolarHBondContact O-CB 3.41Å; H120-D124 PolarHBondContact O-N 2.81Å
125C81.9Confident66.9Low23 Ų2372.6 Ų72.616%0.15540%0.398CS..Iπ-helixtrans-90-23.7-180-60.60000113.2W26 W76 I121W26-C125 HydrophobicContact CH2-CB 4.48Å; W26-C125 HydrophobicContact CZ2-CB 4.36Å; W76-C125 HydrophobicContact CB-CB 4.19Å; W76-C125 VanDerWaalsContact CD1-O 3.26Å; W76-C125 HydrophobicContact CG-CB 3.88Å; W76-C125 PolarHBondContact NE1-O 3.15Å; I121-C125 HydrophobicContact CG2-CB 4.28Å; I121-C125 WeakPolarHBondContact O-CA 3.28Å; I121-C125 WeakPolarHBondContact O-CB 3.11Å; I121-C125 PolarHBondContact O-N 3.24Å
126Y80.1Confident64.5Low43 Ų4374 Ų7417%0.16941%0.405CS..Iπ-helixtrans-118.8-28.1-176.5-66.9-89.7000114.3M17 K21 D24 W26 W76 I121 L122 D128M17-Y126 HydrophobicContact CE-CE2 4.48Å; K21-Y126 HydrophobicContact CD-CD1 4.11Å; K21-Y126 HydrophobicContact CD-CE1 3.78Å; K21-Y126 HydrophobicContact CG-CE1 4.11Å; K21-Y126 HydrophobicContact CG-CE2 4.13Å; D24-Y126 WeakPolarHBondContact CB-OH 3.39Å; D24-Y126 VanDerWaalsContact CG-OH 3.26Å; D24-Y126 WeakPolarHBondContact OD2-CE1 3.44Å; D24-Y126 VanDerWaalsContact OD2-CZ 3.25Å; D24-Y126 PolarHBondContact OD2-OH 3.4Å; W26-Y126 HydrophobicContact CZ2-CE2 4.06Å; W26-Y126 AromaticContact NE1-CE2 3.96Å; W26-Y126 AromaticContact NE1-CZ 3.86Å; W26-Y126 PolarHBondContact NE1-OH 3.49Å; W76-Y126 AromaticContact CH2-CE1 3.94Å; W76-Y126 HydrophobicContact CH2-CE1 3.94Å; W76-Y126 AromaticContact CH2-CZ 3.66Å; W76-Y126 WeakPolarHBondContact CH2-OH 3.44Å; W76-Y126 HydrophobicContact CZ2-CD1 4.32Å; W76-Y126 AromaticContact CZ2-CE1 3.51Å; W76-Y126 HydrophobicContact CZ2-CE1 3.51Å; W76-Y126 HydrophobicContact CZ2-CE2 4.37Å; W76-Y126 AromaticContact CZ2-CZ 3.56Å; I121-Y126 HydrophobicContact CG2-CD2 4.18Å; I121-Y126 HydrophobicContact CG2-CE2 3.84Å; L122-Y126 HydrophobicContact CD2-CD2 4.41Å; L122-Y126 WeakPolarHBondContact O-CB 3.28Å; Y126-D128 WeakPolarHBondContact CB-OD2 3.28Å
127G70.3Confident61.9Low57 Ų5776.8 Ų76.859%0.58842%0.416SS*.  trans82.614.2-17400000114.3L122 Q123 G129L122-G127 PolarHBondContact O-N 2.95Å; Q123-G127 VanDerWaalsContact O-CA 3.24Å; Q123-G127 WeakPolarHBondContact O-CA 3.46Å; Q123-G127 PolarHBondContact O-N 3.11Å; Q123-G127 VanDerWaalsContact O-N 3.1Å; G127-G129 PolarHBondContact O-N 3.34Å
128D70.2Confident59.1Low89 Ų8983.7 Ų83.748%0.47645%0.448SS..  trans-75.314.7-178.3-52.3-59.4000113.3K21 L122 Y126K21-D128 WeakPolarHBondContact CE-OD2 3.41Å; K21-D128 VanDerWaalsContact NZ-CG 3.29Å; K21-D128 IonicContact NZ-OD1 2.8Å; K21-D128 PolarHBondContact NZ-OD1 3.33Å; K21-D128 VanDerWaalsContact NZ-OD1 3.15Å; K21-D128 IonicContact NZ-OD2 3.9Å; K21-D128 PolarHBondContact NZ-OD2 2.92Å; L122-D128 HydrophobicContact CB-CB 4.44Å; L122-D128 PolarHBondContact O-N 3.02Å; Y126-D128 WeakPolarHBondContact CB-OD2 3.28Å
129G48.3Very low56.2Low34 Ų3487.4 Ų87.435%0.35148%0.48SS..  trans-84.3134.2-17200000114.1G127 G131G127-G129 PolarHBondContact O-N 3.34Å; G129-G131 PolarHBondContact O-N 2.97Å
130L43.3Very low53.9Low191 Ų19192 Ų92100%149%0.492SS*.SBendtrans-73.372.8168.1-71.8173.4000111.2
131G36.8Very low51.3Low41 Ų41100 Ų10042%0.42353%0.529SS..SBendtrans84173.9177.700000114.7Q123 G129 T133Q123-G131 PolarHBondContact NE2-O 2.93Å; G129-G131 PolarHBondContact O-N 2.97Å; G131-T133 PolarHBondContact O-N 3.09Å
132P33.6Very low48.7Very low127 Ų127102 Ų10283%0.82555%0.55SS*.  trans-80.4107.3-175.230.3-33.8000112.3R134P132-R134 PolarHBondContact O-N 3.3Å
133T33.4Very low46.7Very low83 Ų83107 Ų10751%0.50958%0.584SS.*  trans-73.593.5173.3-47.30000109.6Q123 G131 H135Q123-T133 PolarHBondContact NE2-OG1 3.26Å; Q123-T133 PolarHBondContact OE1-OG1 3.03Å; G131-T133 PolarHBondContact O-N 3.09Å; T133-H135 PolarHBondContact O-N 3.49Å
134R32.5Very low45.2Very low234 Ų234106.7 Ų106.788%0.88359%0.587SS**  trans-58.9113.5171.7-75.3-175.2174.2179.1-0.7109.4P132 P136P132-R134 PolarHBondContact O-N 3.3Å; R134-P136 WeakPolarHBondContact O-CD 3.47Å
135H35.2Very low44Very low126 Ų126105.7 Ų105.758%0.58358%0.58SS**  trans-60.7127.3178.9-47.7-60.7000110.8T133 R137T133-H135 PolarHBondContact O-N 3.49Å; H135-R137 PolarHBondContact O-N 3.37Å
136P32.1Very low42.4Very low97 Ų97104.7 Ų104.763%0.6357%0.573SS**  trans-67.5105.4170.7-1831.7000109.9R134 E138R134-P136 WeakPolarHBondContact O-CD 3.47Å; P136-E138 HydrophobicContact CB-CG 3.98Å; P136-E138 WeakPolarHBondContact CB-OE1 3.36Å; P136-E138 PolarHBondContact O-N 3.47Å
137R30.9Very low40.9Very low202 Ų202104.8 Ų104.876%0.76258%0.579SS**  trans-88.766.8173.8-166.2-177.9-176-171.50.6109.6H135 F153H135-R137 PolarHBondContact O-N 3.37Å; R137-F153 VanDerWaalsContact NH2-CZ 3.27Å
138E28.9Very low39.6Very low146 Ų146108.7 Ų108.768%0.68258%0.582SS**  trans-83.8137.8-176.3-68.7167.3-177.900110.7P136 Y140P136-E138 HydrophobicContact CB-CG 3.98Å; P136-E138 WeakPolarHBondContact CB-OE1 3.36Å; P136-E138 PolarHBondContact O-N 3.47Å; E138-Y140 HydrophobicContact CB-CD2 4.46Å; E138-Y140 HydrophobicContact CB-CE2 4.07Å
139A27.4Very low38.4Very low88 Ų88108.3 Ų108.373%0.72758%0.58SS**  trans-121.1119.1-172.700000110.6
140Y35.5Very low38.2Very low194 Ų194109.8 Ų109.876%0.76160%0.595SS**  trans-142.6165.9179.9-66.6-68.9000111.3E138E138-Y140 HydrophobicContact CB-CD2 4.46Å; E138-Y140 HydrophobicContact CB-CE2 4.07Å
141E27.6Very low38.3Very low181 Ų181101.5 Ų101.585%0.84655%0.552SS**  trans-118.3121.8-146-172.9170.9-150.500115.6L154E141-L154 HydrophobicContact CB-CD2 4.34Å; E141-L154 HydrophobicContact CG-CD2 4.3Å
142G32.8Very low38.4Very low42 Ų42100.8 Ų100.843%0.43354%0.541SS..  trans73.9155.5163.900000117.1
143C40.9Very low38.5Very low123 Ų123102.7 Ų102.783%0.83154%0.536SS*.  cis-141.3122.8-27.4-83.50000106.1
144C49.5Very low38.4Very low37 Ų37102.2 Ų102.225%0.2553%0.53CS..SBendtrans-146.1175.6-176.763.20000111.5A146 C147 C152C144-A146 PolarHBondContact O-N 3.48Å; C144-A146 VanDerWaalsContact O-N 3.14Å; C144-C147 WeakPolarHBondContact O-CA 3.49Å; C144-C147 WeakPolarHBondContact O-CB 3.27Å; C144-C147 PolarHBondContact O-N 2.92Å; C144-C152 VanDerWaalsContact SG-SG 3.69Å
145E52.6Low38.3Very low62 Ų62100.2 Ų100.229%0.2953%0.531SS..Hα-helixtrans-59.9-25.4-179-170.4173113.100113.1R88 R93 C147 E148 L149R88-E145 IonicContact NH2-OE1 2.69Å; R93-E145 IonicContact CZ-OE2 3.34Å; R93-E145 VanDerWaalsContact CZ-OE2 3.26Å; R93-E145 IonicContact NE-OE2 3Å; R93-E145 PolarHBondContact NE-OE2 2.92Å; R93-E145 IonicContact NH2-OE2 2.66Å; R93-E145 PolarHBondContact NH2-OE2 2.82Å; E145-C147 PolarHBondContact O-N 3.45Å; E145-E148 WeakPolarHBondContact O-CB 3.41Å; E145-E148 PolarHBondContact O-N 2.87Å; E145-E148 VanDerWaalsContact O-N 3.15Å; E145-L149 PolarHBondContact O-N 2.99Å; E145-L149 VanDerWaalsContact O-N 3.13Å
146A48Very low37.9Very low1 Ų1101.2 Ų101.21%0.00853%0.534CS..Hα-helixtrans-66.3-20.4170.300000113.3C144 G150 V151 C152C144-A146 PolarHBondContact O-N 3.48Å; C144-A146 VanDerWaalsContact O-N 3.14Å; A146-G150 PolarHBondContact O-N 3.12Å; A146-V151 HydrophobicContact CB-CB 3.86Å; A146-V151 HydrophobicContact CB-CG1 3.99Å; A146-V151 WeakPolarHBondContact O-CA 3.41Å; A146-V151 WeakPolarHBondContact O-CB 3.33Å; A146-V151 PolarHBondContact O-N 3.36Å; A146-C152 VanDerWaalsContact CB-SG 3.55Å; A146-C152 PolarHBondContact O-N 3.14Å
147C48.3Very low37.7Very low46 Ų46100.3 Ų100.331%0.31153%0.534SS..Hα-helixtrans-73.3-42.4168-57.30000111.3C144 E145 L149 G150 C152C144-C147 WeakPolarHBondContact O-CA 3.49Å; C144-C147 WeakPolarHBondContact O-CB 3.27Å; C144-C147 PolarHBondContact O-N 2.92Å; E145-C147 PolarHBondContact O-N 3.45Å; C147-L149 PolarHBondContact O-N 2.88Å; C147-G150 PolarHBondContact O-N 3.44Å; C147-G150 VanDerWaalsContact O-N 3.12Å; C147-C152 HydrophobicContact CB-CB 4.46Å; C147-C152 VanDerWaalsContact SG-CB 3.59Å
148E43.1Very low37.4Very low138 Ų13896.5 Ų96.565%0.64554%0.536SS*.Hα-helixtrans-60.8-31.6176.5-59.9179.1155.700111.4R93 E145R93-E148 IonicContact CZ-OE2 2.66Å; R93-E148 IonicContact NH1-OE1 3.15Å; R93-E148 IonicContact NH1-OE2 2.66Å; R93-E148 IonicContact NH2-OE2 2.7Å; R93-E148 PolarHBondContact NH2-OE2 2.9Å; E145-E148 WeakPolarHBondContact O-CB 3.41Å; E145-E148 PolarHBondContact O-N 2.87Å; E145-E148 VanDerWaalsContact O-N 3.15Å
149L46.7Very low37.2Very low82 Ų8294.8 Ų94.843%0.42953%0.531SS..THydrogen-bonded Turntrans-93.66.7178.1-62.4173.7000114.6E145 C147 V151E145-L149 PolarHBondContact O-N 2.99Å; E145-L149 VanDerWaalsContact O-N 3.13Å; C147-L149 PolarHBondContact O-N 2.88Å; L149-V151 HydrophobicContact CB-CG2 4Å; L149-V151 PolarHBondContact O-N 3.42Å
150G42.1Very low37.4Very low65 Ų6596.4 Ų96.467%0.6753%0.534SS*.THydrogen-bonded Turntrans66.714179.600000115.6A146 C147A146-G150 PolarHBondContact O-N 3.12Å; C147-G150 PolarHBondContact O-N 3.44Å; C147-G150 VanDerWaalsContact O-N 3.12Å
151V47.2Very low37Very low16 Ų1691.4 Ų91.410%0.09753%0.533CS..  trans-80.7-31.1-179.2171.70000111.8P36 A146 L149P36-V151 HydrophobicContact CB-CG2 4.25Å; P36-V151 HydrophobicContact CG-CB 4.19Å; P36-V151 HydrophobicContact CG-CG1 3.69Å; P36-V151 HydrophobicContact CG-CG2 3.53Å; A146-V151 HydrophobicContact CB-CB 3.86Å; A146-V151 HydrophobicContact CB-CG1 3.99Å; A146-V151 WeakPolarHBondContact O-CA 3.41Å; A146-V151 WeakPolarHBondContact O-CB 3.33Å; A146-V151 PolarHBondContact O-N 3.36Å; L149-V151 HydrophobicContact CB-CG2 4Å; L149-V151 PolarHBondContact O-N 3.42Å
152C38.6Very low37Very low27 Ų2794.5 Ų94.518%0.18254%0.537CS..SBendtrans-78.6131.1167.3-64.50000109.6C144 A146 C147 L154C144-C152 VanDerWaalsContact SG-SG 3.69Å; A146-C152 VanDerWaalsContact CB-SG 3.55Å; A146-C152 PolarHBondContact O-N 3.14Å; C147-C152 HydrophobicContact CB-CB 4.46Å; C147-C152 VanDerWaalsContact SG-CB 3.59Å; C152-L154 HydrophobicContact CB-CD1 4.31Å; C152-L154 HydrophobicContact CB-CG 4.41Å; C152-L154 PolarHBondContact O-N 2.57Å
153F34.8Very low36.7Very low167 Ų16797 Ų9773%0.73255%0.548SS*.  trans-68.519.2178.6-74.2-80.5000114.8R137 Q155R137-F153 VanDerWaalsContact NH2-CZ 3.27Å; F153-Q155 PolarHBondContact O-N 3.06Å; F153-Q155 VanDerWaalsContact O-N 3.16Å
154L32Very low36.1Very low73 Ų7394.7 Ų94.738%0.38254%0.538SS..  trans-89.375-175.2-64.2170.4000110.8E141 C152 K156E141-L154 HydrophobicContact CB-CD2 4.34Å; E141-L154 HydrophobicContact CG-CD2 4.3Å; C152-L154 HydrophobicContact CB-CD1 4.31Å; C152-L154 HydrophobicContact CB-CG 4.41Å; C152-L154 PolarHBondContact O-N 2.57Å; L154-K156 PolarHBondContact O-N 3.01Å
155Q29.9Very low35.1Very low191 Ų19198.9 Ų98.989%0.89356%0.558SS**  trans-69.1114.6153.3-74.1-168.1-8.400107.9F153 A157F153-Q155 PolarHBondContact O-N 3.06Å; F153-Q155 VanDerWaalsContact O-N 3.16Å; Q155-A157 PolarHBondContact O-N 2.67Å
156K27.8Very low33.9Very low148 Ų148102.7 Ų102.764%0.64359%0.585SS**PPolyproline II helixtrans-56.6129.9167.7-166-165.3176.4-171.80108L154 D159L154-K156 PolarHBondContact O-N 3.01Å; K156-D159 VanDerWaalsContact CE-OD1 3.3Å; K156-D159 WeakPolarHBondContact CE-OD1 3.27Å; K156-D159 IonicContact NZ-OD1 3.77Å; K156-D159 PolarHBondContact NZ-OD1 2.86Å; K156-D159 IonicContact NZ-OD2 2.9Å; K156-D159 PolarHBondContact NZ-OD2 3Å
157A26.8Very low32.9Very low77 Ų77108.7 Ų108.764%0.63662%0.622SS**PPolyproline II helixtrans-55.2136.9166.600000108.9Q155 D159Q155-A157 PolarHBondContact O-N 2.67Å; A157-D159 PolarHBondContact O-N 2.88Å
158P25.5Very low31.8Very low123 Ų123116.2 Ų116.280%0.79965%0.649SS**PPolyproline II helixtrans-54.1128.1175.3-24.834000109.7
159D25.3Very low30.9Very low110 Ų110112.5 Ų112.559%0.58865%0.648SS**PPolyproline II helixtrans-55.1128.2-179.4-66.9-76.8000109.5K156 A157 A161K156-D159 VanDerWaalsContact CE-OD1 3.3Å; K156-D159 WeakPolarHBondContact CE-OD1 3.27Å; K156-D159 IonicContact NZ-OD1 3.77Å; K156-D159 PolarHBondContact NZ-OD1 2.86Å; K156-D159 IonicContact NZ-OD2 2.9Å; K156-D159 PolarHBondContact NZ-OD2 3Å; A157-D159 PolarHBondContact O-N 2.88Å; D159-A161 PolarHBondContact O-N 3.25Å
160P30.2Very low29.8Very low122 Ų122116.4 Ų116.479%0.79267%0.67SS**  trans-64.5107.3-179.525.3-33000108.9W162P160-W162 PolarHBondContact O-N 3.32Å; P160-W162 VanDerWaalsContact O-N 3.08Å
161A26.8Very low29Very low89 Ų89123.1 Ų123.174%0.73668%0.681SS**  trans-59.3115.2-174.600000110.6D159 S163D159-A161 PolarHBondContact O-N 3.25Å; A161-S163 PolarHBondContact O-N 3.43Å
162W27.6Very low28Very low245 Ų245128.4 Ų128.493%0.92872%0.715SS**  trans-70.789.8-179.8-170.9-62.3000110.2P160 A164P160-W162 PolarHBondContact O-N 3.32Å; P160-W162 VanDerWaalsContact O-N 3.08Å; W162-A164 PolarHBondContact O-N 3.44Å
163S26.6Very low27.3Very low95 Ų95131.7 Ų131.766%0.66475%0.745SS**  trans-83.384.6172.244.50000110.8A161 N165A161-S163 PolarHBondContact O-N 3.43Å; S163-N165 VanDerWaalsContact CA-OD1 3.31Å; S163-N165 WeakPolarHBondContact CA-OD1 3.48Å; S163-N165 WeakPolarHBondContact CB-OD1 3.45Å; S163-N165 PolarHBondContact O-N 3.29Å
164A29.1Very low27Very low75 Ų75130.4 Ų130.462%0.6275%0.75SS**  trans-71.564.5173.200000111.9W162W162-A164 PolarHBondContact O-N 3.44Å
165N28.1Very low26.7Very low125 Ų125131.3 Ų131.367%0.66877%0.769SS**  trans-116.466.2-168.5-68.187.5000112.1S163 T167S163-N165 VanDerWaalsContact CA-OD1 3.31Å; S163-N165 WeakPolarHBondContact CA-OD1 3.48Å; S163-N165 WeakPolarHBondContact CB-OD1 3.45Å; S163-N165 PolarHBondContact O-N 3.29Å; N165-T167 VanDerWaalsContact C-N 3.35Å; N165-T167 PolarHBondContact O-N 3.49Å
166T27.5Very low26.4Very low141 Ų141135.4 Ų135.487%0.86578%0.776SS**  trans-7079.4177.7-47.80000112.2
167T27.2Very low26.2Very low127 Ų127132.2 Ų132.278%0.77979%0.785SS**  trans-118.280.1178-51.10000113N165 G169N165-T167 VanDerWaalsContact C-N 3.35Å; N165-T167 PolarHBondContact O-N 3.49Å; T167-G169 PolarHBondContact O-N 2.73Å
168K25.1Very low26.1Very low204 Ų204132 Ų13289%0.88779%0.79SS**  trans-3.2101.9147.8-168.9-179.5-173.2179.60117.6
169G23.3Very low26Very low60 Ų60133.5 Ų133.562%0.61980%0.797SS**  trans69.6117.6139.900000120.2T167T167-G169 PolarHBondContact O-N 2.73Å
170N25.4Very low26Very low165 Ų165131.6 Ų131.688%0.88280%0.804SS**  -176.8144.796.5-89.5-9.4000112.2
171F24.6Very low25.7Very low205 Ų205131 Ų13190%0.89981%0.809SS**  trans-83.8153.4165.5-64.9-86.7000110.5
172P26.6Very low25.7Very low127 Ų127133.4 Ų133.483%0.82581%0.814SS**  -120.5148127.135.1-31.9000111.1
173A23.8Very low25.6Very low97 Ų97127.6 Ų127.680%0.80281%0.811SS**  trans-114.4121.2179.900000111.2
174T26.9Very low25.6Very low139 Ų139134.8 Ų134.885%0.85382%0.824SS**  trans-155.6140.1162.745.80000107.1
175A26.2Very low25.3Very low93 Ų93134.5 Ų134.577%0.76983%0.829SS**  cis173.9136.2-16.100000102.3
176W23.3Very low25.2Very low277 Ų277138.1 Ų138.1100%1.04984%0.838SS**  trans-70135.8174.7-84-35.9000110.7
177G24.2Very low25Very low80 Ų80140.3 Ų140.383%0.82584%0.839SS**  trans-157.295169.200000109.2
178G24.2Very low24.8Very low72 Ų72141.1 Ų141.174%0.74284%0.838SS**  trans-97.6156.2176.200000111.8
179T24.3Very low24.8Very low155 Ų155136.7 Ų136.795%0.95183%0.83SS**  trans165136.8150.2-72.80000107.9
180G24.6Very low24.8Very low70 Ų70139.9 Ų139.972%0.72284%0.837SS**  trans152.2101.9160.900000118.7
181A24.5Very low24.8Very low110 Ų110137.2 Ų137.291%0.90983%0.831SS**  trans65.4136.6142.700000122.2
182V25.7Very low24.8Very low139 Ų139130.8 Ų130.884%0.84282%0.823SS**  trans-96.6148.6173.7168.90000110.6
183S26.9Very low24.8Very low124 Ų124132 Ų13287%0.86782%0.823SS**  trans-139.3161.7155.753.50000111.4
184R25.4Very low24.8Very low245 Ų245134.8 Ų134.893%0.92582%0.824SS**  trans-145.3139.5-145.2-178.8-173.8-176.5-169.13.6114.7
185G22.8Very low24.8Very low70 Ų70136.1 Ų136.172%0.72283%0.825SS**  trans97.3157.217000000114.1
186K27.6Very low24.7Very low200 Ų200135.6 Ų135.687%0.8783%0.829SS**  cis-137.1129.45-65.6179.1-179.1176.50108.5
187Q23Very low24.9Very low188 Ų188132.7 Ų132.788%0.87982%0.824SS**  70.7119.991.1-164.3171.5-7.400115.4
188L23Very low24.9Very low144 Ų144130.8 Ų130.875%0.75480%0.804SS**  trans-91.1155.9-177.9176.271.3000112.3
189P25.2Very low24.9Very low111 Ų111130.3 Ų130.372%0.72180%0.799SS**  trans-109.4131.2148.434.3-25.9000112.7
190T23Very low24.8Very low126 Ų126126.7 Ų126.777%0.77379%0.792SS**  trans-70.3171.81700.40000110.8
191S25.3Very low24.8Very low109 Ų109130 Ų13076%0.76280%0.798SS**  cis-155.8164.221-149.90000113.2
192G24.7Very low24.6Very low71 Ų71132.3 Ų132.373%0.73279%0.794SS**  trans160.6111.3171.300000110.9
193D25.8Very low24.5Very low152 Ų152130 Ų13081%0.81379%0.789SS**  trans-83.9147.3-169.1-52.8-90.6000113.9
194D24.1Very low24.3Very low155 Ų155131.5 Ų131.583%0.82979%0.786SS**  -164.8170127.1-125.9-36.7000113.4
195L27Very low24.3Very low167 Ų167125.3 Ų125.387%0.87478%0.777SS**  trans-79.4149-167.8-67.494.1000116.4
196G24.7Very low24.3Very low82 Ų82131.5 Ų131.585%0.84579%0.785SS**  trans167.294.2161.500000115
197K27.8Very low24.1Very low217 Ų217127.1 Ų127.194%0.94378%0.779SS**  trans-105.6108-172.7-154.2176.1-171.1179.20112.5
198G23.2Very low24Very low40 Ų40125.7 Ų125.741%0.41278%0.777SS.*  trans-71.4143.8178.200000113.8
199G25.3Very low24.1Very low62 Ų62125.2 Ų125.264%0.63978%0.78SS**  trans-89.9155.6-17600000115.4
200G21.9Very low24Very low78 Ų78130.5 Ų130.580%0.80479%0.785SS**  trans-114.1157.716400000110.8
201V23.7Very low24Very low139 Ų139128.8 Ų128.884%0.84278%0.784SS**  trans-85.3140-171.5178.40000112.3
202I21.1Very low24.2Very low159 Ų159127.3 Ų127.382%0.81577%0.774SS**  trans-130.2137.1157.4-62.1179.2000107
203A22.5Very low24.2Very low91 Ų91130.5 Ų130.575%0.75277%0.774SS**  trans-109.3145.6176.700000110.9
204I22.2Very low24.4Very low155 Ų155130 Ų13080%0.79577%0.772SS**  trans-135.4130.9171.9-59.9-177.6000108.2
205P26.5Very low24.6Very low115 Ų115131 Ų13175%0.74777%0.771SS**  trans-98.1166.6-175.438.8-36.1000113.2
206F23Very low24.8Very low201 Ų201129.2 Ų129.288%0.88277%0.767SS**  trans-158.9171.114260.2-87.1000112.2
207S24Very low25.2Very low108 Ų108131.1 Ų131.176%0.75576%0.764SS**  trans-138.2154.5-175.5-54.80000110.1
208L20.9Very low25.3Very low158 Ų158129 Ų12983%0.82776%0.761SS**  trans-152.2114147.4-91.4125000106.6
209V23.6Very low25.4Very low134 Ų134131.4 Ų131.481%0.81278%0.778SS**  87.2135.180.5164.50000112
210R24.5Very low25.5Very low221 Ų221138 Ų13883%0.83479%0.791SS**  trans-89.9117.9-171.2-176.8-162.9-147.8106.9-1.7110.5
211A22.9Very low25.7Very low91 Ų91138 Ų13875%0.75279%0.791SS**  trans-87110159.200000109.1
212S28.2Very low26.4Very low78 Ų78137.5 Ų137.555%0.54579%0.792SS.*  trans-91.8104.4169.146.30000109.4D214S212-D214 PolarHBondContact O-N 3.18Å; S212-D214 VanDerWaalsContact O-N 3.08Å
213N25.4Very low26.5Very low137 Ų137134 Ų13473%0.73379%0.786SS**  trans-82.972.3169.4-76.8-0.4000110.1Q215N213-Q215 PolarHBondContact O-N 3.09Å
214D29.6Very low26.7Very low143 Ų143137.5 Ų137.577%0.76579%0.79SS**  trans-70.4112.6158.1-69.4-51.1000107.7S212S212-D214 PolarHBondContact O-N 3.18Å; S212-D214 VanDerWaalsContact O-N 3.08Å
215Q29Very low27.3Very low175 Ų175135.5 Ų135.582%0.81879%0.787SS**  trans-101.199.7176-81.5177.1100110.7N213N213-Q215 PolarHBondContact O-N 3.09Å
216V30.1Very low27.2Very low130 Ų130134.3 Ų134.379%0.78879%0.787SS**PPolyproline II helixtrans-102.8140.7159.3-179.90000107.5
217P33Very low27.2Very low121 Ų121129.5 Ų129.579%0.78678%0.779SS**PPolyproline II helixtrans-69.1160.9-171.6-21.234.5000115.1
218I29.9Very low27.2Very low173 Ų173132 Ų13289%0.88778%0.783SS**PPolyproline II helixtrans-72.2131.8179-63.1169.7000111.7
219A25.8Very low27.4Very low91 Ų91128.9 Ų128.975%0.75277%0.774SS**  trans-156.7114.9150.300000111.7
220E28.4Very low27.4Very low199 Ų199130.3 Ų130.393%0.9377%0.772SS**  trans30.3133.3153.9-52.5-169.3157.300123
221G25.4Very low27.4Very low78 Ų78127.4 Ų127.480%0.80477%0.768SS**  trans157.7123.6163.400000114.3
222P37.5Very low27.3Very low130 Ų130126.9 Ų126.984%0.84476%0.763SS**  trans-107159.4-171.638.8-34.9000117
223A23.6Very low27.1Very low84 Ų84128.9 Ų128.969%0.69478%0.778SS**  trans95.8126.714200000122.7
224I27.4Very low27.1Very low165 Ų165130.3 Ų130.385%0.84678%0.784SS**  trans81.1145.4134.5-74.6171.7000118.3
225P34.9Very low27.1Very low113 Ų113128.8 Ų128.873%0.73478%0.782SS**  trans-134.9-173.8-131.545.9-31.7000117.9
226A24Very low26.8Very low90 Ų90126.1 Ų126.174%0.74478%0.778SS**  trans82.9130.8149.600000120.5
227S23.3Very low26.4Very low101 Ų101126.5 Ų126.571%0.70678%0.78SS**  144.7140.3108.4660000114.6
228L24.7Very low25.9Very low161 Ų161124.3 Ų124.384%0.84378%0.78SS**  trans64.4160.5156.8-57.4161.6000117.7
229S24.5Very low25.7Very low92 Ų92121.9 Ų121.964%0.64378%0.779SS**  cis-168.1152.4-34.6-102.40000111.9
230Q24.1Very low25.8Very low163 Ų163129.6 Ų129.676%0.76279%0.788SS**  trans78.9129.1141-160.8162.80.800123
231E23.1Very low25.6Very low160 Ų160123.6 Ų123.675%0.74878%0.779SS**  trans74.3115.6147.8-83.3173.6-127.600126.7
232A22.1Very low25.6Very low80 Ų80124.5 Ų124.566%0.66178%0.78SS**  84.4145.511600000123.7
233S23Very low25.3Very low121 Ų121123.4 Ų123.485%0.84677%0.766SS**  trans95.2116.1158.7-47.80000119.6
234L25.8Very low25.5Very low166 Ų166122.9 Ų122.987%0.86975%0.754SS**  trans-79.1165.3151.8-76.5172.3000108.8
235P30.5Very low25.5Very low112 Ų112119.3 Ų119.373%0.72774%0.736SS**  cis-157.7-159.543.342.6-18000117.9
236V21.6Very low25.2Very low119 Ų119116 Ų11672%0.72172%0.721SS**  trans86.5108.3152.61680000119.9
237T22.9Very low25.4Very low137 Ų137119.9 Ų119.984%0.8472%0.724SS**  trans29.1129.814868.40000122.2
238G22.6Very low25.6Very low75 Ų75117.4 Ų117.477%0.77372%0.715SS**  trans-173.4114.5157.100000115.2
239S23.9Very low25.7Very low123 Ų123113.2 Ų113.286%0.8670%0.699SS**  trans46.5124.2163.4-156.20000120.9G241S239-G241 PolarHBondContact O-N 3.41Å
240R28.7Very low25.8Very low253 Ų253112.9 Ų112.996%0.95569%0.689SS**  trans-57.5122.6167.6-67.4166.9166.7167.5-7.5111.9
241G24.5Very low25.9Very low72 Ų72112.9 Ų112.974%0.74268%0.683SS**  trans-107.614315200000109.2S239S239-G241 PolarHBondContact O-N 3.41Å
242A26.1Very low26Very low98 Ų98109.2 Ų109.281%0.8167%0.669SS**  trans-71.6134.317800000110.7
243L29.9Very low26.3Very low107 Ų107111.3 Ų111.356%0.5668%0.678SS**  trans-74.2137.1178.2-165.268.1000109.6G270L243-G270 WeakPolarHBondContact O-CA 3.35Å
244V29Very low26.4Very low73 Ų73108.5 Ų108.544%0.44267%0.669SS.*  trans-118122.4176.6-178.80000107.9A268 I269V244-A268 HydrophobicContact CG1-CB 3.73Å; V244-A268 HydrophobicContact CG2-CB 3.92Å; V244-I269 WeakPolarHBondContact CA-O 3.28Å
245I26.8Very low26.5Very low90 Ų90108.1 Ų108.146%0.46267%0.667SS.*  trans-96-13.5-162.7-54.8174.2000112.2I269 D271I245-I269 PolarHBondContact N-O 3.11Å; I245-D271 HydrophobicContact CD1-CB 4.36Å; I245-D271 WeakPolarHBondContact CD1-OD1 3.12Å
246G28.4Very low26.3Very low42 Ų42107.7 Ų107.743%0.43367%0.667SS.*  trans-167.8161.9171.400000111.9
247Q27.4Very low26.9Very low172 Ų172109.5 Ų109.580%0.80468%0.678SS**EExtended strand (participates in β ladder)trans-123.2143168.9-80.7-168-19.700110.2
248G27.8Very low27.2Very low50 Ų50106.6 Ų106.652%0.51567%0.668SS.*EExtended strand (participates in β ladder)trans-144.2151162.900000108.6
249S27.1Very low27.3Very low72 Ų72111.4 Ų111.450%0.50367%0.673SS.*EExtended strand (participates in β ladder)trans-113.9137.3178.8470000110.6Y251S249-Y251 WeakPolarHBondContact OG-CE2 3.36Å
250I26.7Very low27.5Very low85 Ų85111.3 Ų111.344%0.43667%0.669SS.*EExtended strand (participates in β ladder)trans-107.7116.9170.9-58.5175000107G264 F265 L374I250-G264 VanDerWaalsContact O-CA 3.25Å; I250-G264 WeakPolarHBondContact O-CA 3.35Å; I250-F265 PolarHBondContact O-N 2.98Å; I250-L374 HydrophobicContact CD1-CD1 4.06Å
251Y26.5Very low27.4Very low164 Ų164103 Ų10364%0.64366%0.662SS**  trans-93132.2174.4-71.2-85.9000110.6S249S249-Y251 WeakPolarHBondContact OG-CE2 3.36Å
252L25.1Very low27.5Very low83 Ų83101.1 Ų101.144%0.43564%0.643SS.*  trans-112.6113.5168.2-63.9171.5000106.9F265 F357L252-F265 HydrophobicContact CD1-CE2 4.39Å; L252-F357 HydrophobicContact CD1-CE2 4.48Å; L252-F357 HydrophobicContact CD1-CZ 4.18Å
253S27.9Very low27.7Very low123 Ų123103.5 Ų103.586%0.8664%0.635SS**  trans-79.9129.3175.8-152.10000109.2
254G25.5Very low27.5Very low63 Ų6399.9 Ų99.965%0.64962%0.624SS**  trans-108.9140.4175.600000110.5S256G254-S256 PolarHBondContact O-N 3.04Å; G254-S256 VanDerWaalsContact O-N 3.09Å
255D27.8Very low27.5Very low157 Ų15799.9 Ų99.984%0.8462%0.618SS**  trans-65.3107.5-176.4-66-51.1000112.4
256S27.3Very low27.5Very low103 Ų10399.5 Ų99.572%0.7262%0.621SS**  trans-158137.5158.6-1710000111G254 A258G254-S256 PolarHBondContact O-N 3.04Å; G254-S256 VanDerWaalsContact O-N 3.09Å; S256-A258 VanDerWaalsContact C-N 3.26Å; S256-A258 PolarHBondContact O-N 3.04Å
257V34.2Very low27.5Very low157 Ų157100.3 Ų100.395%0.95262%0.617SS**SBendtrans-84.763.8-177.5-172.40000110.5
258A28.6Very low27.5Very low77 Ų7794 Ų9464%0.63660%0.595SS**SBendtrans-16999.5166.400000113.4S256S256-A258 VanDerWaalsContact C-N 3.26Å; S256-A258 PolarHBondContact O-N 3.04Å
259M25.1Very low27.6Very low176 Ų17694.8 Ų94.887%0.86759%0.587SS**SBendtrans61151.7167-64.3-61.2-77.700117.7G261M259-G261 PolarHBondContact O-N 3.1Å
260P27.9Very low27.6Very low120 Ų12092.6 Ų92.678%0.77958%0.575SS**  trans-78.983.2-167.831.1-36.2000114G262P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.35Å
261G25.8Very low27.6Very low78 Ų7892.8 Ų92.880%0.80458%0.577SS**  trans-84.536.2171.600000115.1M259 K263M259-G261 PolarHBondContact O-N 3.1Å; G261-K263 PolarHBondContact O-N 3.46Å
262G27.7Very low27.6Very low34 Ų3488.4 Ų88.435%0.35157%0.569SS.*  trans-65.2112.5-172.500000113.6P260 G264P260-G262 VanDerWaalsContact C-N 3.27Å; P260-G262 PolarHBondContact O-N 3.35Å; G262-G264 PolarHBondContact O-N 2.93Å
263K28.4Very low27.6Very low148 Ų14891.6 Ų91.664%0.64359%0.585SS**  trans-83.682.4-173.9-164.5174.4-175.2178.80111.9G261G261-K263 PolarHBondContact O-N 3.46Å
264G27.1Very low27.5Very low31 Ų3194.6 Ų94.632%0.3258%0.583SS.*  trans-76.3150179.200000114.4I250 G262I250-G264 VanDerWaalsContact O-CA 3.25Å; I250-G264 WeakPolarHBondContact O-CA 3.35Å; G262-G264 PolarHBondContact O-N 2.93Å
265F28Very low27.4Very low72 Ų72100.5 Ų100.532%0.31659%0.594SS.*EExtended strand (participates in β ladder)trans-109.7126.8175.2-63.5-83.6000111.2I250 L252 I356I250-F265 PolarHBondContact O-N 2.98Å; L252-F265 HydrophobicContact CD1-CE2 4.39Å; F265-I356 HydrophobicContact CZ-CD1 4.06Å
266P26.7Very low27.2Very low82 Ų8296.4 Ų96.453%0.53259%0.589SS.*EExtended strand (participates in β ladder)trans-83.2129.1171.932.1-31.7000110.7
267V28.8Very low27.1Very low59 Ų5998.1 Ų98.136%0.35860%0.597SS.*EExtended strand (participates in β ladder)trans-105127.5172.4-177.40000109.3I269V267-I269 HydrophobicContact CG1-CG1 4.33Å
268A27.7Very low26.7Very low40 Ų4094 Ų9433%0.33159%0.586SS.*EExtended strand (participates in β ladder)trans-106.3121.3176.600000110V244V244-A268 HydrophobicContact CG1-CB 3.73Å; V244-A268 HydrophobicContact CG2-CB 3.92Å
269I30.1Very low26.5Very low67 Ų6798.1 Ų98.134%0.34460%0.597SS.*  trans-108.1125178.2-54.4177.2000108.9V244 I245 V267V244-I269 WeakPolarHBondContact CA-O 3.28Å; I245-I269 PolarHBondContact N-O 3.11Å; V267-I269 HydrophobicContact CG1-CG1 4.33Å
270G27.7Very low26.6Very low26 Ų2697 Ų9727%0.26859%0.594SS.*  trans-101.8-178.6177.400000113.9L243L243-G270 WeakPolarHBondContact O-CA 3.35Å
271D26.5Very low26.4Very low89 Ų8994.9 Ų94.948%0.47659%0.593SS.*PPolyproline II helixtrans-61.2136-174-55.5-82.1000113.7I245I245-D271 HydrophobicContact CD1-CB 4.36Å; I245-D271 WeakPolarHBondContact CD1-OD1 3.12Å
272P26.6Very low26.4Very low72 Ų7295.9 Ų95.947%0.46859%0.588SS.*PPolyproline II helixtrans-73.2126.5173.729.7-33.4000111.5F274P272-F274 HydrophobicContact CB-CE2 4.12Å; P272-F274 HydrophobicContact CB-CZ 4.39Å; P272-F274 HydrophobicContact CG-CE2 4.01Å; P272-F274 HydrophobicContact CG-CZ 4.48Å
273L23.6Very low26.2Very low149 Ų14999.4 Ų99.478%0.7861%0.607SS**PPolyproline II helixtrans-91.1121.8176.3-69.9171.2000111.4
274F26.2Very low26.2Very low187 Ų18798.3 Ų98.382%0.8261%0.607SS**PPolyproline II helixtrans-103132.8175-63.4-85000111.1P272P272-F274 HydrophobicContact CB-CE2 4.12Å; P272-F274 HydrophobicContact CB-CZ 4.39Å; P272-F274 HydrophobicContact CG-CE2 4.01Å; P272-F274 HydrophobicContact CG-CZ 4.48Å
275H24.1Very low26Very low187 Ų187104.8 Ų104.887%0.86663%0.629SS**  trans-108.1116.7174.8-75.1-66.2000111.3
276G24.1Very low25.8Very low71 Ų71107.5 Ų107.573%0.73265%0.652SS**  trans-163.1115.217400000111.4
277P24.5Very low25.7Very low139 Ų139113 Ų11390%0.90367%0.668SS**  trans-88.7128-177.932.4-32.2000112.9
278G25.3Very low25.5Very low70 Ų70119.2 Ų119.272%0.72269%0.693SS**SBendtrans96.484.9148.300000119.1
279L25.1Very low25.7Very low163 Ų163124.5 Ų124.585%0.85372%0.715SS**  trans52.897.2139.8-57169.5000118.6
280L27.1Very low25.3Very low154 Ų154130 Ų13081%0.80674%0.736SS**  68.5103.684.6-92.6158000117
281G22.7Very low25.2Very low74 Ų74132.4 Ų132.476%0.76376%0.761SS**  trans152.7105.8157.800000114.1
282S25.4Very low25.2Very low100 Ų100133.9 Ų133.970%0.69976%0.763SS**SBendcis-163.3105.6-8.851.80000112.5
283S24.1Very low24.9Very low108 Ų108137.6 Ų137.676%0.75578%0.778SS**  trans-171.271.4154.247.10000112
284I28.6Very low25.2Very low124 Ų124138.7 Ų138.764%0.63678%0.777SS**  trans-83.2121.6165.7-60.9172.6000107.7
285Q22.5Very low25Very low167 Ų167139.6 Ų139.678%0.7878%0.781SS**  trans-127.5104.9170-164.1165.813.700109.5
286T24.1Very low24.9Very low130 Ų130133.3 Ų133.380%0.79877%0.767SS**  trans49.986.8167.452.80000117.5
287F25.8Very low25.1Very low198 Ų198142.5 Ų142.587%0.86878%0.779SS**  trans-122.692.2149.2-65.8-80.2000109.2
288E24.4Very low25.4Very low189 Ų189139.6 Ų139.688%0.88378%0.775SS**  trans-149.5149.4158.4-163.3166.3-176.900109.8
289L30.3Very low25.3Very low150 Ų150141.7 Ų141.779%0.78578%0.779SS**  trans-127109.5-169.3178.779.8000110
290K21.9Very low25.4Very low182 Ų182141.4 Ų141.479%0.79178%0.777SS**  trans-160.2126.4165.2-114.7167.7-172.8170.40111.2
291G25.9Very low25.3Very low77 Ų77139.8 Ų139.879%0.79478%0.777SS**SBendtrans77120.8-176.300000112.6
292F26Very low25.3Very low121 Ų121141 Ų14153%0.53177%0.774SS.*  trans-75.6131.2173-76.7-95.6000110.3F378F292-F378 HydrophobicContact CE1-CD2 4.14Å; F292-F378 HydrophobicContact CE1-CE2 4.42Å; F292-F378 HydrophobicContact CE1-CG 4.39Å; F292-F378 AromaticContact CE2-CD1 3.94Å; F292-F378 HydrophobicContact CE2-CD1 3.94Å; F292-F378 HydrophobicContact CE2-CD2 4.29Å; F292-F378 AromaticContact CE2-CE1 3.8Å; F292-F378 HydrophobicContact CE2-CE1 3.8Å; F292-F378 HydrophobicContact CE2-CE2 4.13Å; F292-F378 HydrophobicContact CE2-CG 4.19Å; F292-F378 AromaticContact CE2-CZ 3.89Å; F292-F378 HydrophobicContact CE2-CZ 3.89Å; F292-F378 HydrophobicContact CZ-CD1 4.06Å; F292-F378 AromaticContact CZ-CD2 3.57Å; F292-F378 HydrophobicContact CZ-CD2 3.57Å; F292-F378 HydrophobicContact CZ-CE1 4.02Å; F292-F378 AromaticContact CZ-CE2 3.5Å; F292-F378 HydrophobicContact CZ-CE2 3.5Å; F292-F378 AromaticContact CZ-CG 3.84Å; F292-F378 HydrophobicContact CZ-CG 3.84Å; F292-F378 AromaticContact CZ-CZ 3.75Å; F292-F378 HydrophobicContact CZ-CZ 3.75Å
293L21.6Very low25.3Very low149 Ų149141.5 Ų141.578%0.7878%0.775SS**  trans-154.6120.1145.3-146.185000111.1
294F28.8Very low25.7Very low173 Ų173141 Ų14176%0.75977%0.767SS**  trans-94.5121.6170.9-89-95.2000110.6
295K22Very low26.1Very low205 Ų205137.8 Ų137.889%0.89177%0.765SS**  trans-150.6146.8157.7-111.6171-178.4173.70109.6
296G23.7Very low26.6Very low56 Ų56135.2 Ų135.258%0.57776%0.76SS**  cis-145.5175.39.100000115.7G298G296-G298 PolarHBondContact O-N 3.27Å
297R27.3Very low27Very low263 Ų263131.8 Ų131.899%0.99275%0.745SS**THydrogen-bonded Turntrans-47.5117.2178-178.3-175.9-171.7177.82.9112.4
298G31.2Very low27.4Very low78 Ų78129.7 Ų129.780%0.80474%0.738SS**THydrogen-bonded Turntrans133.1-6.5167.600000117.3G296G296-G298 PolarHBondContact O-N 3.27Å
299S23.8Very low27.7Very low115 Ų115121 Ų12180%0.80470%0.699SS**  trans-87.5156.8179-161.90000113.5
300L27.1Very low27.8Very low156 Ų156121.6 Ų121.682%0.81769%0.691SS**  trans-117.4146.4-178.1-77.1163.3000112
301C23.2Very low28.4Very low120 Ų120113.4 Ų113.481%0.81166%0.659SS**  trans87.3136.9160.1-60.30000122
302S23.8Very low28.5Very low100 Ų100113.7 Ų113.770%0.69965%0.646SS**  trans81.8142.915576.50000120.4
303P26Very low28.9Very low111 Ų111110 Ų11072%0.72163%0.634SS**  trans-84.8157.5176.835.3-36000113.1
304V32.3Very low29.3Very low98 Ų98106.6 Ų106.659%0.59462%0.622SS**  trans-117.298-165.8-175.60000113.1
305G37.1Very low29.2Very low56 Ų56103.1 Ų103.158%0.57761%0.611SS**  trans78.8142.7151.800000118.8
306V32.9Very low29.3Very low112 Ų112100.1 Ų100.168%0.67961%0.605SS**EExtended strand (participates in β ladder)trans-129.5132.1162.2176.90000107.3
307A33Very low29.5Very low58 Ų58103 Ų10348%0.47961%0.607SS.*EExtended strand (participates in β ladder)trans-113.4138.1178.200000110.8I333A307-I333 PolarHBondContact N-O 3.11Å; A307-I333 PolarHBondContact O-N 2.88Å
308Q32.6Very low29.5Very low154 Ų15494.1 Ų94.172%0.7260%0.597SS**EExtended strand (participates in β ladder)trans-113.8122.5175.4-63.7-176-5.600108.7
309G32.5Very low29.6Very low7 Ų799 Ų997%0.07260%0.603CS.*EExtended strand (participates in β ladder)trans-114.5146.1-17500000112.7F330 Y331G309-F330 WeakPolarHBondContact O-CA 3.41Å; G309-Y331 PolarHBondContact N-O 3.31Å; G309-Y331 PolarHBondContact O-N 2.69Å; G309-Y331 VanDerWaalsContact O-N 3.11Å
310W31.8Very low29.8Very low162 Ų16299.7 Ų99.761%0.61460%0.603SS**EExtended strand (participates in β ladder)trans-124.6116.9174.8-73.349.8000107.2M329 F330W310-M329 WeakPolarHBondContact CA-O 3.37Å; W310-F330 AromaticContact CD2-CD1 3.44Å; W310-F330 HydrophobicContact CD2-CD1 3.44Å; W310-F330 VanDerWaalsContact CD2-CD1 3.44Å; W310-F330 AromaticContact CD2-CE1 3.41Å; W310-F330 HydrophobicContact CD2-CE1 3.41Å; W310-F330 VanDerWaalsContact CD2-CE1 3.41Å; W310-F330 HydrophobicContact CD2-CZ 4.44Å; W310-F330 AromaticContact CE2-CD1 3.45Å; W310-F330 VanDerWaalsContact CE2-CD1 3.45Å; W310-F330 AromaticContact CE2-CE1 3.53Å; W310-F330 AromaticContact CE3-CD1 3.87Å; W310-F330 HydrophobicContact CE3-CD1 3.87Å; W310-F330 AromaticContact CE3-CE1 3.31Å; W310-F330 HydrophobicContact CE3-CE1 3.31Å; W310-F330 HydrophobicContact CE3-CZ 4.2Å; W310-F330 AromaticContact CG-CD1 3.79Å; W310-F330 HydrophobicContact CG-CD1 3.79Å; W310-F330 HydrophobicContact CG-CE1 4.2Å; W310-F330 HydrophobicContact CH2-CD1 4.21Å; W310-F330 AromaticContact CH2-CE1 3.44Å; W310-F330 HydrophobicContact CH2-CE1 3.44Å; W310-F330 VanDerWaalsContact CH2-CE1 3.44Å; W310-F330 HydrophobicContact CH2-CE2 4.35Å; W310-F330 AromaticContact CH2-CZ 3.51Å; W310-F330 HydrophobicContact CH2-CZ 3.51Å; W310-F330 AromaticContact CZ2-CD1 3.85Å; W310-F330 HydrophobicContact CZ2-CD1 3.85Å; W310-F330 AromaticContact CZ2-CE1 3.55Å; W310-F330 HydrophobicContact CZ2-CE1 3.55Å; W310-F330 HydrophobicContact CZ2-CE2 4.32Å; W310-F330 HydrophobicContact CZ2-CG 4.42Å; W310-F330 AromaticContact CZ2-CZ 3.8Å; W310-F330 HydrophobicContact CZ2-CZ 3.8Å; W310-F330 HydrophobicContact CZ3-CD1 4.23Å; W310-F330 AromaticContact CZ3-CE1 3.33Å; W310-F330 HydrophobicContact CZ3-CE1 3.33Å; W310-F330 AromaticContact CZ3-CZ 3.75Å; W310-F330 HydrophobicContact CZ3-CZ 3.75Å; W310-F330 AromaticContact NE1-CD1 3.82Å
311G33.1Very low29.8Very low11 Ų1198.4 Ų98.411%0.11360%0.603CS.*EExtended strand (participates in β ladder)trans-155.5156.3-173.100000115M329G311-M329 PolarHBondContact N-O 3.12Å; G311-M329 VanDerWaalsContact N-O 3.12Å; G311-M329 PolarHBondContact O-N 3.31Å
312P29.9Very low30.2Very low83 Ų8398 Ų9854%0.53961%0.608SS.*EExtended strand (participates in β ladder)trans-83.4136.9173.433.7-32.5000111.2
313V32.4Very low30.9Very low43 Ų4396.7 Ų96.726%0.26161%0.612SS.*  trans-110.2130.7175.1-178.50000109.9L315V313-L315 HydrophobicContact CG1-CD1 4.4Å
314S30.7Very low31.1Very low77 Ų77101.2 Ų101.254%0.53862%0.62SS.*  trans-103.6109.1178-173.10000111.2
315L27.4Very low31.1Very low101 Ų101105.5 Ų105.553%0.52963%0.633SS.*  trans-87.2107.4171.8-71.197.1000110.7V313 N317V313-L315 HydrophobicContact CG1-CD1 4.4Å; L315-N317 PolarHBondContact O-N 3.17Å
316N24.8Very low30.9Very low142 Ų142107.6 Ų107.676%0.75963%0.634SS**  trans-75.390.1167.4-87.12.1000110.7
317N26.5Very low31.1Very low117 Ų117105.3 Ų105.363%0.62662%0.622SS**  trans-102.6140.9151.5-92.3-28.6000108.7L315L315-N317 PolarHBondContact O-N 3.17Å
318G28.5Very low31.2Very low75 Ų75106.8 Ų106.877%0.77363%0.625SS**SBendtrans-67.1133.9-17700000113.5
319L33.4Very low31.6Very low180 Ų180101.1 Ų101.194%0.94260%0.599SS**  trans5375156.9-160.376.4000117.4
320V26.2Very low31.8Very low131 Ų131105.4 Ų105.479%0.79462%0.616SS**  trans-132137.3161-179.40000108
321P27.4Very low32.3Very low128 Ų12899.2 Ų99.283%0.83159%0.593SS**  trans-72.1164.5-162.926.6-35.9000115.6
322A32.7Very low32.5Very low111 Ų111101 Ų10192%0.91760%0.603SS**SBendtrans-60.1148.9-169.700000115.1
323G37.3Very low33Very low74 Ų7499.4 Ų99.476%0.76359%0.589SS**  trans118.237158.100000118.1
324K30.6Very low33.1Very low206 Ų20698.1 Ų98.190%0.89658%0.584SS**  trans-134.2150.2162.7-68.4-169178.4179.80111.9
325H33Very low33.5Very low188 Ų18897.7 Ų97.787%0.8758%0.576SS**PPolyproline II helixtrans-70.9143.7-167.6-58.4-91.6000113.2
326T33.4Very low33.9Very low99 Ų9995 Ų9561%0.60757%0.566SS**PPolyproline II helixtrans-70.3124.5164.435.70000110
327P36.4Very low34.3Very low64 Ų6491.8 Ų91.842%0.41656%0.558SS.*PPolyproline II helixtrans-76.5124.8176.129.8-33000110.9M329P327-M329 HydrophobicContact CB-CE 4.14Å; P327-M329 HydrophobicContact CG-CE 3.73Å
328T34.6Very low34.7Very low90 Ų9090.7 Ų90.755%0.55256%0.56SS**EExtended strand (participates in β ladder)trans-73.8131.9164.1-48.70000108.8
329M42.1Very low34.9Very low35 Ų3588.2 Ų88.217%0.17254%0.535CS..EExtended strand (participates in β ladder)trans-124.7159.3-179.5-59.8-166.1-168.300112W310 G311 P327 L349 I352W310-M329 WeakPolarHBondContact CA-O 3.37Å; G311-M329 PolarHBondContact N-O 3.12Å; G311-M329 VanDerWaalsContact N-O 3.12Å; G311-M329 PolarHBondContact O-N 3.31Å; P327-M329 HydrophobicContact CB-CE 4.14Å; P327-M329 HydrophobicContact CG-CE 3.73Å; M329-L349 HydrophobicContact CE-CD2 4.31Å; M329-L349 HydrophobicContact SD-CD1 3.89Å; M329-L349 HydrophobicContact SD-CD2 4.12Å; M329-L349 HydrophobicContact SD-CG 3.98Å; M329-I352 HydrophobicContact CE-CD1 3.81Å
330F36.2Very low34.9Very low96 Ų9684.5 Ų84.542%0.42151%0.513SS..EExtended strand (participates in β ladder)trans-102.1141.6175.2-40.2-36.8000109.6G309 W310 P346G309-F330 WeakPolarHBondContact O-CA 3.41Å; W310-F330 AromaticContact CD2-CD1 3.44Å; W310-F330 HydrophobicContact CD2-CD1 3.44Å; W310-F330 VanDerWaalsContact CD2-CD1 3.44Å; W310-F330 AromaticContact CD2-CE1 3.41Å; W310-F330 HydrophobicContact CD2-CE1 3.41Å; W310-F330 VanDerWaalsContact CD2-CE1 3.41Å; W310-F330 HydrophobicContact CD2-CZ 4.44Å; W310-F330 AromaticContact CE2-CD1 3.45Å; W310-F330 VanDerWaalsContact CE2-CD1 3.45Å; W310-F330 AromaticContact CE2-CE1 3.53Å; W310-F330 AromaticContact CE3-CD1 3.87Å; W310-F330 HydrophobicContact CE3-CD1 3.87Å; W310-F330 AromaticContact CE3-CE1 3.31Å; W310-F330 HydrophobicContact CE3-CE1 3.31Å; W310-F330 HydrophobicContact CE3-CZ 4.2Å; W310-F330 AromaticContact CG-CD1 3.79Å; W310-F330 HydrophobicContact CG-CD1 3.79Å; W310-F330 HydrophobicContact CG-CE1 4.2Å; W310-F330 HydrophobicContact CH2-CD1 4.21Å; W310-F330 AromaticContact CH2-CE1 3.44Å; W310-F330 HydrophobicContact CH2-CE1 3.44Å; W310-F330 VanDerWaalsContact CH2-CE1 3.44Å; W310-F330 HydrophobicContact CH2-CE2 4.35Å; W310-F330 AromaticContact CH2-CZ 3.51Å; W310-F330 HydrophobicContact CH2-CZ 3.51Å; W310-F330 AromaticContact CZ2-CD1 3.85Å; W310-F330 HydrophobicContact CZ2-CD1 3.85Å; W310-F330 AromaticContact CZ2-CE1 3.55Å; W310-F330 HydrophobicContact CZ2-CE1 3.55Å; W310-F330 HydrophobicContact CZ2-CE2 4.32Å; W310-F330 HydrophobicContact CZ2-CG 4.42Å; W310-F330 AromaticContact CZ2-CZ 3.8Å; W310-F330 HydrophobicContact CZ2-CZ 3.8Å; W310-F330 HydrophobicContact CZ3-CD1 4.23Å; W310-F330 AromaticContact CZ3-CE1 3.33Å; W310-F330 HydrophobicContact CZ3-CE1 3.33Å; W310-F330 AromaticContact CZ3-CZ 3.75Å; W310-F330 HydrophobicContact CZ3-CZ 3.75Å; W310-F330 AromaticContact NE1-CD1 3.82Å; F330-P346 WeakPolarHBondContact O-CD 3.18Å
331Y42.9Very low35.6Very low33 Ų3378.3 Ų78.313%0.12948%0.476CS..EExtended strand (participates in β ladder)trans-145.6145.7174.655-86.7000109.9G309 I333 L343G309-Y331 PolarHBondContact N-O 3.31Å; G309-Y331 PolarHBondContact O-N 2.69Å; G309-Y331 VanDerWaalsContact O-N 3.11Å; Y331-I333 HydrophobicContact CD2-CD1 4.14Å; Y331-I333 HydrophobicContact CD2-CG1 4.11Å; Y331-I333 HydrophobicContact CE2-CD1 3.99Å; Y331-I333 HydrophobicContact CE2-CG1 4.43Å; Y331-L343 HydrophobicContact CD2-CD1 4.04Å; Y331-L343 HydrophobicContact CG-CD1 4.41Å
332C36.7Very low36.2Very low48 Ų4874.2 Ų74.232%0.32445%0.45SS..EExtended strand (participates in β ladder)trans-109.2131175.7-63.10000109.2T344C332-T344 PolarHBondContact N-O 3.05Å; C332-T344 VanDerWaalsContact N-O 3.09Å; C332-T344 PolarHBondContact O-N 3.06Å
333I40.2Very low36.5Very low50 Ų5070.4 Ų70.426%0.25641%0.414SS..EExtended strand (participates in β ladder)trans-111.9118.4171.7-60.7174.3000107.8A307 Y331 L335 S342 L343A307-I333 PolarHBondContact N-O 3.11Å; A307-I333 PolarHBondContact O-N 2.88Å; Y331-I333 HydrophobicContact CD2-CD1 4.14Å; Y331-I333 HydrophobicContact CD2-CG1 4.11Å; Y331-I333 HydrophobicContact CE2-CD1 3.99Å; Y331-I333 HydrophobicContact CE2-CG1 4.43Å; I333-L335 HydrophobicContact CG2-CG 4.48Å; I333-S342 WeakPolarHBondContact CA-O 3.38Å; I333-L343 HydrophobicContact CD1-CD1 4.43Å; I333-L343 HydrophobicContact CG1-CD1 3.77Å
334G34.7Very low36.7Very low15 Ų1568.8 Ų68.816%0.15539%0.389CS..EExtended strand (participates in β ladder)trans-112.2135.7171.100000110.3G341 S342G334-G341 CarbonylContact O-C 3.55Å; G334-G341 WeakPolarHBondContact O-CA 3.24Å; G334-S342 PolarHBondContact N-O 3.02Å; G334-S342 PolarHBondContact O-N 2.84Å; G334-S342 PolarHBondContact O-OG 3.27Å
335L37.8Very low37.3Very low68 Ų6861.1 Ų61.136%0.35636%0.356SS..EExtended strand (participates in β ladder)trans-122.5141.5175.8-71.4164.4000109.8I333 F376 F378I333-L335 HydrophobicContact CG2-CG 4.48Å; L335-F376 HydrophobicContact CD2-CE2 4.41Å; L335-F378 HydrophobicContact CD2-CD2 4.25Å; L335-F378 HydrophobicContact CD2-CE2 3.84Å
336S36.3Very low37.7Very low45 Ų4554.6 Ų54.632%0.31533%0.33SS..  trans-95.7164.1175.887.30000111.2S338 G339 E340S336-S338 PolarHBondContact O-N 3.29Å; S336-S338 PolarHBondContact OG-N 2.71Å; S336-S338 PolarHBondContact OG-OG 2.9Å; S336-G339 PolarHBondContact O-N 3.06Å; S336-E340 PolarHBondContact N-O 3.31Å; S336-E340 WeakPolarHBondContact OG-CB 3.25Å; S336-E340 PolarHBondContact OG-N 3.41Å; S336-E340 PolarHBondContact OG-O 3.15Å
337A33.6Very low38.1Very low74 Ų7451.4 Ų51.461%0.61231%0.312SS*.THydrogen-bonded Turntrans-69.9-3.7172.300000114
338S34.3Very low38.3Very low94 Ų9452.5 Ų52.566%0.65732%0.321SS*.THydrogen-bonded Turntrans-1014175.755.90000114S336 E340S336-S338 PolarHBondContact O-N 3.29Å; S336-S338 PolarHBondContact OG-N 2.71Å; S336-S338 PolarHBondContact OG-OG 2.9Å; S338-E340 VanDerWaalsContact C-N 3.32Å
339G32.3Very low38.7Very low24 Ų2449.1 Ų49.125%0.24730%0.3CS..SBendtrans83.16.7-177.500000114.5S336 F378S336-G339 PolarHBondContact O-N 3.06Å; G339-F378 PolarHBondContact O-N 3.07Å
340E34.1Very low38.7Very low101 Ų10150.8 Ų50.847%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-79.6136170.7-174.5180-170.700109.8S336 S338 V377S336-E340 PolarHBondContact N-O 3.31Å; S336-E340 WeakPolarHBondContact OG-CB 3.25Å; S336-E340 PolarHBondContact OG-N 3.41Å; S336-E340 PolarHBondContact OG-O 3.15Å; S338-E340 VanDerWaalsContact C-N 3.32Å; E340-V377 HydrophobicContact CG-CG2 4.38Å
341G41Very low38.7Very low2 Ų249.6 Ų49.62%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-125.6156.1-178.400000112.5G334 P375 F376G334-G341 CarbonylContact O-C 3.55Å; G334-G341 WeakPolarHBondContact O-CA 3.24Å; G341-P375 CarbonylContact O-C 3.58Å; G341-P375 WeakPolarHBondContact O-CA 3.23Å; G341-F376 PolarHBondContact N-O 2.76Å; G341-F376 PolarHBondContact O-N 2.72Å; G341-F376 VanDerWaalsContact O-O 3.09Å
342S39.3Very low38.5Very low41 Ų4151 Ų5129%0.28733%0.325SS..EExtended strand (participates in β ladder)trans-140.9134.3178.157.30000110.6I333 G334 L374I333-S342 WeakPolarHBondContact CA-O 3.38Å; G334-S342 PolarHBondContact N-O 3.02Å; G334-S342 PolarHBondContact O-N 2.84Å; G334-S342 PolarHBondContact O-OG 3.27Å; S342-L374 WeakPolarHBondContact CA-O 3.49Å
343L40.6Very low38.5Very low32 Ų3253.3 Ų53.317%0.16833%0.329CS..EExtended strand (participates in β ladder)trans-115.8117.9174.317863.5000108.7Y331 I333 F345 T373 L374 F376Y331-L343 HydrophobicContact CD2-CD1 4.04Å; Y331-L343 HydrophobicContact CG-CD1 4.41Å; I333-L343 HydrophobicContact CD1-CD1 4.43Å; I333-L343 HydrophobicContact CG1-CD1 3.77Å; L343-F345 HydrophobicContact CD1-CZ 4.32Å; L343-F345 HydrophobicContact CD2-CE2 3.67Å; L343-F345 HydrophobicContact CD2-CZ 3.63Å; L343-F345 HydrophobicContact CG-CD2 4.45Å; L343-F345 HydrophobicContact CG-CE2 3.76Å; L343-F345 HydrophobicContact CG-CZ 3.9Å; L343-T373 WeakPolarHBondContact O-CA 3.42Å; L343-L374 PolarHBondContact N-O 2.97Å; L343-L374 PolarHBondContact O-N 3.11Å; L343-F376 HydrophobicContact CB-CE1 4.2Å
344T40.2Very low38.3Very low39 Ų3954.9 Ų54.924%0.23934%0.341CS..EExtended strand (participates in β ladder)trans-114.7130.6-176.7-600000111.6C332 I372 T373C332-T344 PolarHBondContact N-O 3.05Å; C332-T344 VanDerWaalsContact N-O 3.09Å; C332-T344 PolarHBondContact O-N 3.06Å; T344-I372 WeakPolarHBondContact CA-O 3.46Å; T344-T373 WeakPolarHBondContact CG2-OG1 3.46Å; T344-T373 WeakPolarHBondContact OG1-CG2 3.37Å; T344-T373 PolarHBondContact OG1-OG1 3.48Å
345F44Very low38.3Very low46 Ų4661.2 Ų61.220%0.20237%0.372CS..EExtended strand (participates in β ladder)trans-114142.8179.6-68.9-72.6000112.8L343 L349 S371 I372L343-F345 HydrophobicContact CD1-CZ 4.32Å; L343-F345 HydrophobicContact CD2-CE2 3.67Å; L343-F345 HydrophobicContact CD2-CZ 3.63Å; L343-F345 HydrophobicContact CG-CD2 4.45Å; L343-F345 HydrophobicContact CG-CE2 3.76Å; L343-F345 HydrophobicContact CG-CZ 3.9Å; F345-L349 HydrophobicContact CB-CD1 3.77Å; F345-L349 HydrophobicContact CD1-CD1 3.69Å; F345-L349 HydrophobicContact CE1-CD1 4.49Å; F345-L349 HydrophobicContact CG-CD1 3.88Å; F345-S371 VanDerWaalsContact O-CA 3.28Å; F345-S371 WeakPolarHBondContact O-CA 3.34Å; F345-S371 VanDerWaalsContact O-CB 3.28Å; F345-S371 WeakPolarHBondContact O-CB 3.44Å; F345-I372 PolarHBondContact N-O 3.27Å; F345-I372 PolarHBondContact O-N 3.39Å; F345-I372 VanDerWaalsContact O-N 3.14Å
346P41.7Very low38.2Very low50 Ų5062 Ų6233%0.32538%0.375SS..  trans-61.1151.7172.9-23.934.1000114F330 S348 L349F330-P346 WeakPolarHBondContact O-CD 3.18Å; P346-S348 PolarHBondContact O-N 2.9Å; P346-S348 VanDerWaalsContact O-N 3.12Å; P346-L349 PolarHBondContact O-N 2.81Å
347S41.6Very low38.2Very low33 Ų3366.3 Ų66.323%0.23139%0.388CS..G310 helixtrans-62.9-19.6-176.3610000115.3L349 T350 A370S347-L349 PolarHBondContact O-N 2.99Å; S347-T350 WeakPolarHBondContact O-CB 3.28Å; S347-T350 WeakPolarHBondContact O-CG2 3.32Å; S347-T350 PolarHBondContact O-N 3.18Å; S347-T350 PolarHBondContact O-OG1 3.46Å; S347-A370 VanDerWaalsContact CA-O 3.24Å; S347-A370 WeakPolarHBondContact CA-O 3.43Å; S347-A370 VanDerWaalsContact CB-N 3.33Å; S347-A370 WeakPolarHBondContact CB-O 3.35Å
348S39.6Very low38.1Very low86 Ų8667.6 Ų67.660%0.60139%0.393SS*.G310 helixtrans-59.8-23.2177.848.40000113.5P346 T350 S351P346-S348 PolarHBondContact O-N 2.9Å; P346-S348 VanDerWaalsContact O-N 3.12Å; S348-T350 PolarHBondContact O-N 3.36Å; S348-S351 PolarHBondContact O-OG 2.84Å
349L44.5Very low37.9Very low20 Ų2072.2 Ų72.211%0.10541%0.405CS..G310 helixtrans-65.9-18.5173.7-100.4157.7000114.1M329 F345 P346 S347 S351 I352 F353M329-L349 HydrophobicContact CE-CD2 4.31Å; M329-L349 HydrophobicContact SD-CD1 3.89Å; M329-L349 HydrophobicContact SD-CD2 4.12Å; M329-L349 HydrophobicContact SD-CG 3.98Å; F345-L349 HydrophobicContact CB-CD1 3.77Å; F345-L349 HydrophobicContact CD1-CD1 3.69Å; F345-L349 HydrophobicContact CE1-CD1 4.49Å; F345-L349 HydrophobicContact CG-CD1 3.88Å; P346-L349 PolarHBondContact O-N 2.81Å; S347-L349 PolarHBondContact O-N 2.99Å; L349-S351 PolarHBondContact O-N 2.93Å; L349-I352 HydrophobicContact CD2-CB 4.22Å; L349-I352 HydrophobicContact CD2-CD1 3.9Å; L349-I352 WeakPolarHBondContact O-CB 3.5Å; L349-I352 PolarHBondContact O-N 3.18Å; L349-F353 HydrophobicContact CB-CD2 4.41Å; L349-F353 HydrophobicContact CB-CE2 4.22Å; L349-F353 HydrophobicContact CD2-CE2 4.03Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.06Å
350T41.2Very low37.9Very low69 Ų6976 Ų7642%0.42343%0.434SS..Hα-helixtrans-53.4-38176.348.40000112.5S347 S348 I352 F353 T354S347-T350 WeakPolarHBondContact O-CB 3.28Å; S347-T350 WeakPolarHBondContact O-CG2 3.32Å; S347-T350 PolarHBondContact O-N 3.18Å; S347-T350 PolarHBondContact O-OG1 3.46Å; S348-T350 PolarHBondContact O-N 3.36Å; T350-I352 PolarHBondContact O-N 2.72Å; T350-F353 PolarHBondContact O-N 3.18Å; T350-T354 WeakPolarHBondContact O-CG2 3.42Å; T350-T354 PolarHBondContact O-N 3.5Å; T350-T354 PolarHBondContact O-OG1 2.86Å; T350-T354 VanDerWaalsContact O-OG1 3.14Å
351S36.8Very low37.7Very low72 Ų7278 Ų7850%0.50345%0.452SS..Hα-helixtrans-60.2-28.3176.663.20000114.7S348 L349 T354S348-S351 PolarHBondContact O-OG 2.84Å; L349-S351 PolarHBondContact O-N 2.93Å; S351-T354 WeakPolarHBondContact CA-OG1 3.33Å; S351-T354 PolarHBondContact O-OG1 2.9Å; S351-T354 VanDerWaalsContact O-OG1 3.05Å
352I38.9Very low37.7Very low63 Ų6382 Ų8232%0.32349%0.494SS..Hα-helixtrans-83.4-37.3178.9-65.1172.6000109.9M329 L349 T350M329-I352 HydrophobicContact CE-CD1 3.81Å; L349-I352 HydrophobicContact CD2-CB 4.22Å; L349-I352 HydrophobicContact CD2-CD1 3.9Å; L349-I352 WeakPolarHBondContact O-CB 3.5Å; L349-I352 PolarHBondContact O-N 3.18Å; T350-I352 PolarHBondContact O-N 2.72Å
353F36.5Very low37.4Very low96 Ų9682.6 Ų82.642%0.42151%0.506SS..Hα-helixtrans-74.6-32175.1-69.6-70.6000113.5L349 T350 N355 I356 F357 I372L349-F353 HydrophobicContact CB-CD2 4.41Å; L349-F353 HydrophobicContact CB-CE2 4.22Å; L349-F353 HydrophobicContact CD2-CE2 4.03Å; L349-F353 WeakPolarHBondContact O-CD2 3.4Å; L349-F353 PolarHBondContact O-N 3.06Å; T350-F353 PolarHBondContact O-N 3.18Å; F353-N355 VanDerWaalsContact C-N 3.26Å; F353-N355 PolarHBondContact O-N 3.2Å; F353-I356 WeakPolarHBondContact O-CB 3.34Å; F353-I356 PolarHBondContact O-N 3.26Å; F353-F357 PolarHBondContact O-N 2.86Å; F353-I372 HydrophobicContact CD2-CD1 4.27Å; F353-I372 HydrophobicContact CE2-CD1 4.35Å
354T36Very low37Very low82 Ų8287.7 Ų87.750%0.50354%0.542SS..Hα-helixtrans-61.4-32.8177.242.70000113T350 S351 I356 F357 S358T350-T354 WeakPolarHBondContact O-CG2 3.42Å; T350-T354 PolarHBondContact O-N 3.5Å; T350-T354 PolarHBondContact O-OG1 2.86Å; T350-T354 VanDerWaalsContact O-OG1 3.14Å; S351-T354 WeakPolarHBondContact CA-OG1 3.33Å; S351-T354 PolarHBondContact O-OG1 2.9Å; S351-T354 VanDerWaalsContact O-OG1 3.05Å; T354-I356 PolarHBondContact O-N 3.25Å; T354-I356 VanDerWaalsContact O-N 3.15Å; T354-F357 PolarHBondContact O-N 2.96Å; T354-S358 PolarHBondContact O-N 3.05Å
355N34.8Very low36.8Very low148 Ų14892.3 Ų92.379%0.79157%0.569SS**Hα-helixtrans-69.1-4.3174.8-86.8-12.6000114.2F353F353-N355 VanDerWaalsContact C-N 3.26Å; F353-N355 PolarHBondContact O-N 3.2Å
356I35.9Very low36.2Very low84 Ų8494.2 Ų94.243%0.43159%0.594SS.*Hα-helixtrans-104.4-19.2175.3-60.1173.6000111.1F265 F353 T354F265-I356 HydrophobicContact CZ-CD1 4.06Å; F353-I356 WeakPolarHBondContact O-CB 3.34Å; F353-I356 PolarHBondContact O-N 3.26Å; T354-I356 PolarHBondContact O-N 3.25Å; T354-I356 VanDerWaalsContact O-N 3.15Å
357F34.6Very low35.6Very low136 Ų13698.7 Ų98.760%0.59662%0.62SS**Hα-helixtrans-12611.1-163-80.7-70.7000116.5L252 F353 T354L252-F357 HydrophobicContact CD1-CE2 4.48Å; L252-F357 HydrophobicContact CD1-CZ 4.18Å; F353-F357 PolarHBondContact O-N 2.86Å; T354-F357 PolarHBondContact O-N 2.96Å
358S31.5Very low35.1Very low102 Ų102106.2 Ų106.271%0.71365%0.649SS**  trans-153135.5169.9-68.30000113T354T354-S358 PolarHBondContact O-N 3.05Å
359E29.9Very low34.8Very low191 Ų191111 Ų11189%0.89366%0.662SS**  trans-62.7150.5155.4-71.4-171.4115.800109.9T361E359-T361 PolarHBondContact O-N 3.14Å
360A34.3Very low34.3Very low104 Ų104112.9 Ų112.986%0.8668%0.68SS**  trans-70.5121.3-172.200000112.4
361T29.6Very low34Very low141 Ų141113.2 Ų113.287%0.86569%0.685SS**  trans-135.8116.7156.3-650000108.3E359E359-T361 PolarHBondContact O-N 3.14Å
362G39.5Very low34Very low86 Ų86112.9 Ų112.989%0.88768%0.677SS**  trans-75.3129.1-166.500000114.3
363G33.2Very low33.7Very low54 Ų54113.3 Ų113.356%0.55768%0.683SS**  trans-164.5146.1168.600000110.8V365G363-V365 PolarHBondContact O-N 3.21Å; G363-V365 VanDerWaalsContact O-N 3.13Å
364P33.7Very low33.8Very low140 Ų140112.2 Ų112.291%0.90968%0.681SS**  trans-74.6104.4-177.229.4-33.8000111.1
365V35.3Very low33.6Very low135 Ų135113 Ų11382%0.81869%0.687SS**  trans-76.7124.3175.2178.70000110G363 T367G363-V365 PolarHBondContact O-N 3.21Å; G363-V365 VanDerWaalsContact O-N 3.13Å; V365-T367 PolarHBondContact O-N 3.04Å
366A30.2Very low33.7Very low86 Ų86109.4 Ų109.471%0.71167%0.665SS**  trans-72.7121.817500000110.8K368A366-K368 PolarHBondContact O-N 3.22Å
367T30.9Very low33.4Very low144 Ų144110 Ų11088%0.88367%0.672SS**  trans-67.6102.4177.549.10000111.1V365V365-T367 PolarHBondContact O-N 3.04Å
368K31.3Very low33.3Very low192 Ų192108 Ų10884%0.83566%0.663SS**  trans-96141.1160-75.1-173.7174.7-176.90109.6A366 A370A366-K368 PolarHBondContact O-N 3.22Å; K368-A370 PolarHBondContact O-N 3.35Å; K368-A370 VanDerWaalsContact O-N 3.11Å
369E32.7Very low33.1Very low187 Ų187108.6 Ų108.687%0.87466%0.663SS**  trans-77.896179.4-66.2165.1149.800109.9
370A34.3Very low33Very low59 Ų59105.1 Ų105.149%0.48865%0.65SS.*  trans-118.5105.3173.800000110S347 K368S347-A370 VanDerWaalsContact CA-O 3.24Å; S347-A370 WeakPolarHBondContact CA-O 3.43Å; S347-A370 VanDerWaalsContact CB-N 3.33Å; S347-A370 WeakPolarHBondContact CB-O 3.35Å; K368-A370 PolarHBondContact O-N 3.35Å; K368-A370 VanDerWaalsContact O-N 3.11Å
371S34.8Very low32.6Very low76 Ų76105 Ų10553%0.53164%0.639SS.*  trans-74.4144.9173.1540000111.2F345F345-S371 VanDerWaalsContact O-CA 3.28Å; F345-S371 WeakPolarHBondContact O-CA 3.34Å; F345-S371 VanDerWaalsContact O-CB 3.28Å; F345-S371 WeakPolarHBondContact O-CB 3.44Å
372I35.8Very low32.5Very low65 Ų65106.4 Ų106.433%0.33363%0.633SS.*EExtended strand (participates in β ladder)trans-98.9121.7173.6-59.7175.2000107.9T344 F345 F353 L374T344-I372 WeakPolarHBondContact CA-O 3.46Å; F345-I372 PolarHBondContact N-O 3.27Å; F345-I372 PolarHBondContact O-N 3.39Å; F345-I372 VanDerWaalsContact O-N 3.14Å; F353-I372 HydrophobicContact CD2-CD1 4.27Å; F353-I372 HydrophobicContact CE2-CD1 4.35Å; I372-L374 HydrophobicContact CG2-CD2 4.45Å; I372-L374 HydrophobicContact CG2-CG 4.49Å
373T33.7Very low32Very low72 Ų72108.6 Ų108.644%0.44262%0.624SS.*EExtended strand (participates in β ladder)trans-113.1126.5175.4-59.90000109.4L343 T344L343-T373 WeakPolarHBondContact O-CA 3.42Å; T344-T373 WeakPolarHBondContact CG2-OG1 3.46Å; T344-T373 WeakPolarHBondContact OG1-CG2 3.37Å; T344-T373 PolarHBondContact OG1-OG1 3.48Å
374L37Very low31.9Very low72 Ų72111 Ų11138%0.37764%0.639SS.*EExtended strand (participates in β ladder)trans-109.1115.8176.1-63.4174.9000109.3I250 S342 L343 I372I250-L374 HydrophobicContact CD1-CD1 4.06Å; S342-L374 WeakPolarHBondContact CA-O 3.49Å; L343-L374 PolarHBondContact N-O 2.97Å; L343-L374 PolarHBondContact O-N 3.11Å; I372-L374 HydrophobicContact CG2-CD2 4.45Å; I372-L374 HydrophobicContact CG2-CG 4.49Å
375P32.1Very low31.5Very low98 Ų98110.1 Ų110.164%0.63663%0.631SS**EExtended strand (participates in β ladder)trans-78.9149.5172.233.2-33.7000111G341G341-P375 CarbonylContact O-C 3.58Å; G341-P375 WeakPolarHBondContact O-CA 3.23Å
376F38.1Very low31.1Very low73 Ų73107.5 Ų107.532%0.3262%0.623SS.*EExtended strand (participates in β ladder)trans-149164.6172.159.4-87.2000109.8L335 G341 L343 F378L335-F376 HydrophobicContact CD2-CE2 4.41Å; G341-F376 PolarHBondContact N-O 2.76Å; G341-F376 PolarHBondContact O-N 2.72Å; G341-F376 VanDerWaalsContact O-O 3.09Å; L343-F376 HydrophobicContact CB-CE1 4.2Å; F376-F378 HydrophobicContact CD2-CE2 4.33Å; F376-F378 HydrophobicContact CE2-CD2 4.29Å; F376-F378 AromaticContact CE2-CE2 3.63Å; F376-F378 HydrophobicContact CE2-CE2 3.63Å; F376-F378 AromaticContact CE2-CZ 3.93Å; F376-F378 HydrophobicContact CE2-CZ 3.93Å
377V30.1Very low30.9Very low96 Ų96112.1 Ų112.158%0.58263%0.63SS**EExtended strand (participates in β ladder)trans-134.2132.8179.5-178.20000109.1E340 T379E340-V377 HydrophobicContact CG-CG2 4.38Å; V377-T379 PolarHBondContact O-N 3.43Å
378F30.6Very low30.6Very low95 Ų95111.4 Ų111.442%0.41763%0.625SS.*  trans-81.1109.5168.8-72.9-71.8000109.9F292 L335 G339 F376F292-F378 HydrophobicContact CE1-CD2 4.14Å; F292-F378 HydrophobicContact CE1-CE2 4.42Å; F292-F378 HydrophobicContact CE1-CG 4.39Å; F292-F378 AromaticContact CE2-CD1 3.94Å; F292-F378 HydrophobicContact CE2-CD1 3.94Å; F292-F378 HydrophobicContact CE2-CD2 4.29Å; F292-F378 AromaticContact CE2-CE1 3.8Å; F292-F378 HydrophobicContact CE2-CE1 3.8Å; F292-F378 HydrophobicContact CE2-CE2 4.13Å; F292-F378 HydrophobicContact CE2-CG 4.19Å; F292-F378 AromaticContact CE2-CZ 3.89Å; F292-F378 HydrophobicContact CE2-CZ 3.89Å; F292-F378 HydrophobicContact CZ-CD1 4.06Å; F292-F378 AromaticContact CZ-CD2 3.57Å; F292-F378 HydrophobicContact CZ-CD2 3.57Å; F292-F378 HydrophobicContact CZ-CE1 4.02Å; F292-F378 AromaticContact CZ-CE2 3.5Å; F292-F378 HydrophobicContact CZ-CE2 3.5Å; F292-F378 AromaticContact CZ-CG 3.84Å; F292-F378 HydrophobicContact CZ-CG 3.84Å; F292-F378 AromaticContact CZ-CZ 3.75Å; F292-F378 HydrophobicContact CZ-CZ 3.75Å; L335-F378 HydrophobicContact CD2-CD2 4.25Å; L335-F378 HydrophobicContact CD2-CE2 3.84Å; G339-F378 PolarHBondContact O-N 3.07Å; F376-F378 HydrophobicContact CD2-CE2 4.33Å; F376-F378 HydrophobicContact CE2-CD2 4.29Å; F376-F378 AromaticContact CE2-CE2 3.63Å; F376-F378 HydrophobicContact CE2-CE2 3.63Å; F376-F378 AromaticContact CE2-CZ 3.93Å; F376-F378 HydrophobicContact CE2-CZ 3.93Å
379T28.3Very low30.4Very low115 Ų115106.4 Ų106.471%0.70662%0.62SS**  trans-80128.4166.244.30000109.9V377 V381V377-T379 PolarHBondContact O-N 3.43Å; T379-V381 PolarHBondContact O-N 2.78Å
380D27.2Very low30.2Very low117 Ų117106.7 Ų106.763%0.62662%0.621SS**  trans-67.690.8172.8179.538.5000109.7K382D380-K382 VanDerWaalsContact C-N 3.32Å; D380-K382 PolarHBondContact O-N 3.1Å; D380-K382 WeakPolarHBondContact OD2-CE 3.48Å
381V26.9Very low29.7Very low103 Ų103106.7 Ų106.762%0.62463%0.627SS**  trans-72.392.9169.1-177.70000107.5T379 D383T379-V381 PolarHBondContact O-N 2.78Å; V381-D383 VanDerWaalsContact C-N 3.31Å; V381-D383 PolarHBondContact O-N 2.88Å
382K27.3Very low29.3Very low169 Ų169110.5 Ų110.574%0.73564%0.641SS**  trans-68.993.9165.1-71.7179.1-177.1165.10108.7D380 A384D380-K382 VanDerWaalsContact C-N 3.32Å; D380-K382 PolarHBondContact O-N 3.1Å; D380-K382 WeakPolarHBondContact OD2-CE 3.48Å; K382-A384 PolarHBondContact O-N 2.97Å
383D28.3Very low28.8Very low132 Ų132116.1 Ų116.171%0.70667%0.666SS**  trans-54.1123.2171.7-74.7-41.6000110V381 V385V381-D383 VanDerWaalsContact C-N 3.31Å; V381-D383 PolarHBondContact O-N 2.88Å; D383-V385 HydrophobicContact CB-CG2 4.44Å; D383-V385 PolarHBondContact O-N 2.87Å
384A30.4Very low28.8Very low106 Ų106122.1 Ų122.188%0.87669%0.686SS**  trans-76.378.2176.400000109.7K382 A386K382-A384 PolarHBondContact O-N 2.97Å; A384-A386 PolarHBondContact O-N 3.4Å
385V26.3Very low28.4Very low121 Ų121127.8 Ų127.873%0.73371%0.711SS**  trans-79.7106.8169.4-1760000108.3D383 E387D383-V385 HydrophobicContact CB-CG2 4.44Å; D383-V385 PolarHBondContact O-N 2.87Å; V385-E387 PolarHBondContact O-N 3.27Å
386A26.5Very low28.1Very low79 Ų79126.6 Ų126.665%0.65372%0.717SS**  trans-74.1120.7169.700000109.5A384 V388A384-A386 PolarHBondContact O-N 3.4Å; A386-V388 PolarHBondContact O-N 3.29Å
387E25.7Very low27.5Very low184 Ų184127.2 Ų127.286%0.8674%0.744SS**  trans-65.998.8167.1-77.6-74145.500109.1V385V385-E387 PolarHBondContact O-N 3.27Å
388V26.1Very low27.4Very low128 Ų128126.5 Ų126.578%0.77676%0.756SS**  trans-93.8102.1171.3178.10000108.4A386A386-V388 PolarHBondContact O-N 3.29Å
389A26.3Very low27.2Very low88 Ų88131.7 Ų131.773%0.72778%0.781SS**  trans-94118.3167.600000110.2
390E28Very low26.9Very low192 Ų192129.6 Ų129.690%0.89778%0.782SS**  trans-64.5140.4153.5-60.1176.2116.400108
391G23.5Very low26.9Very low59 Ų59132.2 Ų132.261%0.60880%0.795SS**  cis131.6110.3-300000111
392N27.1Very low26.7Very low156 Ų156135 Ų13583%0.83481%0.805SS**  trans-175.1152.3144.2-105.2-40.5000115.2
393E26.2Very low27.3Very low183 Ų183132.2 Ų132.286%0.85580%0.804SS**  trans67.1162.3152.3-68.2-174.3143.500121.8
394K32.2Very low27.1Very low199 Ų199130.8 Ų130.887%0.86581%0.81SS**  trans-92.8174.1-173-59.1162.8-174.81680107.5
395E28.3Very low26.9Very low190 Ų190128.8 Ų128.889%0.88880%0.8SS**  cis-174.4163.143.2-178.8169-132.200110.4
396G26.8Very low26.9Very low74 Ų74131.9 Ų131.976%0.76381%0.806SS**  trans98.6135.115300000116.2
397G25.9Very low27Very low86 Ų86135.5 Ų135.589%0.88782%0.815SS**  trans-94.5162.2170.600000112.2
398G26.9Very low27.5Very low81 Ų81132.9 Ų132.984%0.83581%0.814SS**  trans-160.2149.617700000112
399Q26.6Very low27.5Very low204 Ų204134 Ų13495%0.95381%0.814SS**  trans-102.5147-179.6-62167.3-0.500111
400G23.5Very low28.3Very low70 Ų70135 Ų13572%0.72281%0.813SS**  116.8161.8129.200000120.9
401L25.4Very low28.3Very low172 Ų172132.6 Ų132.690%0.90180%0.802SS**  trans81.194.4148.1-54.6179000121.2
402I24.6Very low28.4Very low163 Ų163136.1 Ų136.184%0.83681%0.812SS**  trans-56.9140.1136.3-72.2169.3000108.8
403P38.8Very low28.5Very low110 Ų110134.8 Ų134.871%0.71481%0.805SS**  -160.816483.942.6-21.6000121.3
404A24.9Very low28.6Very low101 Ų101130.9 Ų130.984%0.83580%0.804SS**  trans59.7158.9150.800000119.6
405G24.7Very low28.3Very low64 Ų64125.4 Ų125.466%0.6680%0.804SS**  cis-163.2-176.4-5.800000108
406H28.1Very low28.1Very low187 Ų187119.9 Ų119.987%0.86680%0.798SS**  cis-156.1156.412.1-77.8-103.8000110.3
407D27.3Very low28Very low154 Ų154125.3 Ų125.382%0.82481%0.809SS**  trans-95.2169.2158.2-70.3-56.4000111.1
408P36.4Very low27.8Very low130 Ų130126 Ų12684%0.84481%0.806SS**  -145.5157.398.737.5-21.5000118.1
409L25.9Very low27.7Very low151 Ų151127.2 Ų127.279%0.79180%0.802SS**  trans-74.5-170.3165.3-98.3156.1000111.6
410P44.1Very low27.6Very low108 Ų108124.9 Ų124.970%0.70179%0.791SS**  cis-137.6147.82135.6-11.3000118.1
411E27.9Very low27.6Very low142 Ų142126.9 Ų126.966%0.66479%0.789SS**  80.7141.8101.2-67.3-173.7-175.300120
412T24.9Very low27.5Very low133 Ų133128.5 Ų128.582%0.81679%0.789SS**  -165.6107.1121.2-70.30000111.9
413N28.9Very low27.4Very low129 Ų129124.3 Ų124.369%0.6979%0.785SS**  trans13.1148.6138.4-58-61000121
414A27.8Very low26.6Very low101 Ų101124.8 Ų124.884%0.83579%0.791SS**  cis-161.9170.5-600000106.7
415G26Very low26.4Very low83 Ų83128.6 Ų128.686%0.85680%0.796SS**  cis150.8160.720.600000106.2
416G24.3Very low26.3Very low75 Ų75129.6 Ų129.677%0.77380%0.798SS**  cis-176.9-175-3.500000112
417L24.7Very low26Very low187 Ų187128.6 Ų128.698%0.97980%0.799SS**  trans71.9123.8176.5-99.774.7000120.6
418A21.8Very low25.7Very low100 Ų100125.1 Ų125.183%0.82679%0.787SS**  trans-84.8169.3-174.700000115.8
419S25.1Very low25.1Very low107 Ų107128 Ų12875%0.74879%0.786SS**  -169.5135.4114.6-158.30000115.1
420Q24.7Very low25.2Very low156 Ų156126.9 Ų126.973%0.72979%0.788SS**  trans51.2105.6145.5-67.7-78.1-2900122.6
421V23.1Very low24.3Very low112 Ų112126.3 Ų126.368%0.67979%0.792SS**  72.7108.5113.2165.50000121.5
422K23.6Very low24.1Very low206 Ų206127 Ų12790%0.89680%0.801SS**  65130.3122.7-170.4-172.7-178.1-1790120.4
423G22.6Very low24.3Very low74 Ų74126.1 Ų126.176%0.76380%0.795SS**  trans152.8113.2148.600000115.3
424S21.9Very low24.3Very low120 Ų120128.9 Ų128.984%0.83980%0.803SS**  trans-81.2141.4166.9-43.60000110.7
425L21.6Very low24Very low181 Ų181127.1 Ų127.195%0.94880%0.795SS**  -174.3166.5129.3-103.1164.4000111.4
426A21.6Very low24Very low85 Ų85132 Ų13270%0.70279%0.793SS**  trans-100.8163-176.400000112.5
427L21.8Very low24Very low167 Ų167134.2 Ų134.287%0.87479%0.787SS**  trans-163.6-179.7152.3-109.6162.1000111.1
428S21.6Very low24.1Very low81 Ų81131 Ų13157%0.56678%0.78SS**  trans-139.5170.7-138.8-52.10000116.1
429F24Very low24.3Very low190 Ų190135.4 Ų135.483%0.83378%0.781SS**  trans74.7166.7168.7-44.6-65.3000115.1
430P28.1Very low24.4Very low128 Ų128135.6 Ų135.683%0.83178%0.778SS**  -115.3178.661.940.2-36.6000115.3
431A23.9Very low24.4Very low96 Ų96134 Ų13479%0.79377%0.774SS**  trans-140.4151.5166.900000109.3
432D25Very low24.7Very low157 Ų157135 Ų13584%0.8478%0.775SS**  trans-108.3133.7-172.5-96.9-46.1000115
433V28.6Very low24.9Very low113 Ų113129.7 Ų129.769%0.68576%0.763SS**  trans19.8114.7145.2-170.10000119.2
434Q27.6Very low25.1Very low187 Ų187135 Ų13587%0.87477%0.768SS**  176.2143.3102-16285.753.400108.4
435G23.1Very low25.3Very low64 Ų64132 Ų13266%0.6676%0.756SS**  trans-138.6162.4176.800000113.4
436K25.1Very low25.9Very low185 Ų185132 Ų13280%0.80475%0.748SS**  trans-164.6138.4160.6-109.9-164.8164.6-154.70114.6
437D24.6Very low26.1Very low123 Ų123134.5 Ų134.566%0.65875%0.746SS**  trans39108.2142.3-42.7-22.4000120.4
438S27.7Very low26.6Very low119 Ų119134.1 Ų134.183%0.83274%0.737SS**  169.716098.861.50000115.5
439F25.3Very low27Very low193 Ų193137.7 Ų137.785%0.84675%0.745SS**  trans-73168175.3-66-106000112
440T26.8Very low27.1Very low110 Ų110132.3 Ų132.368%0.67574%0.743SS**  cis-156.5-161.28.8-4.30000109
441D24.4Very low26.9Very low124 Ų124130.1 Ų130.166%0.66374%0.743SS**  cis-160173.86.9-129-40000115.6
442I29Very low26.9Very low133 Ų133133.4 Ų133.468%0.68275%0.747SS**  trans39.9110.9149.2-73.2151.9000121.8
443S28.5Very low26.8Very low93 Ų93131.3 Ų131.365%0.6574%0.74SS**  54.5155128.1115.60000121.9
444E28.1Very low26.6Very low185 Ų185132 Ų13286%0.86474%0.744SS**  cis-161.3177.2-2.2-121159.3118.200108
445G25.9Very low26.4Very low58 Ų58127.8 Ų127.860%0.59874%0.741SS**  cis158.3152.4-2.700000112.7
446K33.2Very low26.4Very low180 Ų180128.2 Ų128.278%0.78375%0.746SS**  trans63.9156.6175.3-69.9179.9154.3-131.40116.7
447E26.7Very low26.4Very low138 Ų138128.1 Ų128.165%0.64575%0.748SS**  cis-147.8143.5-10.6-109.3155.3166.600107
448K32.3Very low26.3Very low160 Ų160130 Ų13070%0.69676%0.759SS**  56.9139.687.6-101.4172.8168.2-98.40114.4
449E29.3Very low26.1Very low155 Ų155128.6 Ų128.672%0.72475%0.754SS**  cis-167162.410.7-160.9150.5-164.700113.2
450G26.3Very low26.4Very low77 Ų77124.7 Ų124.779%0.79475%0.748SS**  trans83.6148.4168.700000116.7
451G24.7Very low26.3Very low82 Ų82127.1 Ų127.185%0.84576%0.756SS**  cis109.6139.66.400000112.1
452L22.6Very low26.4Very low165 Ų165129.8 Ų129.886%0.86477%0.765SS**  cis-168.6-178.10.4-176.263.7000107.7
453V23.7Very low26.2Very low114 Ų114128.3 Ų128.369%0.69177%0.772SS**  trans76.7110.9161.4-176.80000114.9
454T23.5Very low26.2Very low126 Ų126132.1 Ų132.177%0.77379%0.785SS**  65.7142.656.669.20000115.9
455A23.7Very low26.1Very low99 Ų99128 Ų12882%0.81878%0.783SS**  cis-171.6163.8-17.800000109.5
456G23.6Very low26.1Very low74 Ų74135.2 Ų135.276%0.76380%0.801SS**  trans84.5164.5168.400000116
457Q24.1Very low25.6Very low182 Ų182129.5 Ų129.585%0.8579%0.793SS**  cis-168.5139.4-18.3-149169.1-10.900107.9
458D23.9Very low25.5Very low163 Ų163129.5 Ų129.587%0.87281%0.805SS**  trans161165.8141.4-83.9-17.8000113
459A22Very low25Very low90 Ų90128.2 Ų128.274%0.74481%0.81SS**  trans-134.4-164.5-176.200000108
460P32.7Very low24.8Very low110 Ų110127 Ų12771%0.71481%0.814SS**  cis-142.6-162.8-0.943.7-23.5000115.4
461L23.6Very low24.6Very low161 Ų161130.2 Ų130.284%0.84382%0.818SS**  trans81.5165.5152.9-74.9171.6000120.9
462E26.8Very low24.5Very low181 Ų181131.3 Ų131.385%0.84681%0.813SS**  trans-101161.9-157.2-50.7169.6129.500113.9
463A24.4Very low24.6Very low101 Ų101132.4 Ų132.484%0.83581%0.813SS**  trans-161.7123142.100000111.1
464D28.5Very low24.6Very low173 Ų173130.5 Ų130.593%0.92582%0.816SS**  trans-77.8134.4163-96-47.1000110.4
465A25.9Very low24.7Very low100 Ų100128.9 Ų128.983%0.82681%0.81SS**  trans-153.5110.6166.200000110.5
466Q26.8Very low24.8Very low209 Ų209131.9 Ų131.998%0.97781%0.811SS**  trans-96.6124.6-177.8-163.4167.314.300111.1
467G23.5Very low24.8Very low60 Ų60134 Ų13462%0.61981%0.81SS**  trans-144.4142.917800000111.4
468P23.3Very low25Very low138 Ų138131.2 Ų131.290%0.89680%0.799SS**PPolyproline II helixtrans-81130.4-168.731.2-34.8000112.9
469V22.6Very low25Very low132 Ų132127.2 Ų127.280%0.878%0.782SS**PPolyproline II helixtrans-98139.2167.2177.30000109.5V471V469-V471 PolarHBondContact O-N 3.42Å
470T24.2Very low25.2Very low129 Ų129129.3 Ų129.379%0.79178%0.775SS**PPolyproline II helixtrans-50.3127.6177.749.30000112.8
471V22.1Very low25.2Very low145 Ų145128.3 Ų128.388%0.87977%0.77SS**PPolyproline II helixtrans-66.5134.1169177.80000109.3V469V469-V471 PolarHBondContact O-N 3.42Å
472S23.7Very low25.5Very low106 Ų106125 Ų12574%0.74176%0.756SS**PPolyproline II helixtrans-75.6134-168.954.50000114G474S472-G474 PolarHBondContact O-N 3.18Å; S472-G474 VanDerWaalsContact O-N 3.12Å
473E25.1Very low25.9Very low188 Ų188122.5 Ų122.588%0.87974%0.743SS**  trans-65.1103.5166.5-174.6176.4-16900110.4S475E473-S475 PolarHBondContact O-N 3.15Å
474G23.1Very low26.2Very low73 Ų73122.2 Ų122.275%0.75373%0.727SS**  trans-78.984.6-174.700000113.4S472S472-G474 PolarHBondContact O-N 3.18Å; S472-G474 VanDerWaalsContact O-N 3.12Å
475S26.1Very low26.5Very low93 Ų93120.4 Ų120.465%0.6572%0.722SS**  trans-86.1127.7175.158.40000112.8E473 T477E473-S475 PolarHBondContact O-N 3.15Å; S475-T477 PolarHBondContact O-N 2.99Å
476I25.4Very low27Very low161 Ų161122.8 Ų122.883%0.82672%0.719SS**  trans-8296.5172.2-60.4178.2000108.5I478I476-I478 HydrophobicContact CG2-CG1 4.47Å
477T23.2Very low27.6Very low120 Ų120120.4 Ų120.474%0.73671%0.706SS**  trans-88.5114176.2-60.70000110.3S475S475-T477 PolarHBondContact O-N 2.99Å
478I27.4Very low28Very low122 Ų122126.4 Ų126.463%0.62672%0.717SS**  trans-89.3118.8175.7-57.6176.2000108.7I476 V482I476-I478 HydrophobicContact CG2-CG1 4.47Å; I478-V482 HydrophobicContact CG2-CG2 4.34Å
479P24.8Very low28.3Very low80 Ų80130 Ų13052%0.51972%0.719SS.*  trans-70.9140.6179.928.6-34.2000111.9S481 V482P479-S481 PolarHBondContact O-N 2.9Å; P479-V482 PolarHBondContact O-N 3.14Å
480F26.9Very low28.6Very low134 Ų134127.2 Ų127.259%0.58872%0.717SS**G310 helixtrans-61.8-19.8-173.1-159.5-88.4000114.3V482 F483F480-V482 PolarHBondContact O-N 3.13Å; F480-F483 PolarHBondContact O-N 3.49Å
481S32.4Very low28.8Very low89 Ų89124.8 Ų124.862%0.62272%0.718SS**G310 helixtrans-59.3-12.517849.50000114.9P479 F483P479-S481 PolarHBondContact O-N 2.9Å; S481-F483 VanDerWaalsContact C-N 3.26Å; S481-F483 PolarHBondContact O-N 3Å
482V30.2Very low29.2Very low90 Ų90121.8 Ų121.855%0.54572%0.716SS.*G310 helixtrans-67.7-23.6170.2179.60000112.4I478 P479 F480I478-V482 HydrophobicContact CG2-CG2 4.34Å; P479-V482 PolarHBondContact O-N 3.14Å; F480-V482 PolarHBondContact O-N 3.13Å
483F35.1Very low29.4Very low130 Ų130126 Ų12657%0.5772%0.723SS**THydrogen-bonded Turntrans-101.6-15.3-172.3-71.9-71.8000116.1F480 S481 V485 I486F480-F483 PolarHBondContact O-N 3.49Å; S481-F483 VanDerWaalsContact C-N 3.26Å; S481-F483 PolarHBondContact O-N 3Å; F483-V485 PolarHBondContact O-N 3.35Å; F483-I486 PolarHBondContact O-N 3.06Å
484D31.1Very low29.7Very low95 Ų95123.7 Ų123.751%0.50872%0.722SS.*G310 helixtrans-70.9-10-177.8-87.3-37.5000114.7I486 K487D484-I486 PolarHBondContact O-N 3.39Å; D484-K487 PolarHBondContact O-N 3.28Å
485V33.3Very low30.1Very low134 Ų134124.6 Ų124.681%0.81272%0.722SS**G310 helixtrans-60.4-16.7171.8-174.90000112.3F483F483-V485 PolarHBondContact O-N 3.35Å
486I37.7Very low30.1Very low150 Ų150131.4 Ų131.477%0.76974%0.735SS**G310 helixtrans-94.8-5.9179.7-61.7179.3000112.8F483 D484F483-I486 PolarHBondContact O-N 3.06Å; D484-I486 PolarHBondContact O-N 3.39Å
487K38.9Very low30.3Very low160 Ų160126.8 Ų126.870%0.69673%0.728SS**  trans-12576.1179.8-78.3-175177.6172.20114.2D484D484-K487 PolarHBondContact O-N 3.28Å
488H30.6Very low31.1Very low185 Ų185127.2 Ų127.286%0.85673%0.732SS**  trans-165.783.8147.1-104.2-61.4000115.2
489K31Very low31.2Very low214 Ų214131.1 Ų131.193%0.9375%0.748SS**  trans-15832.2139.3-134.2160.4-172.2163.60116.7
490G27.6Very low31.2Very low74 Ų74130.9 Ų130.976%0.76376%0.76SS**  trans-78.9112.6156.300000109G492G490-G492 PolarHBondContact O-N 2.91Å
491G29.2Very low31.2Very low78 Ų78133.1 Ų133.180%0.80478%0.778SS**  trans-72.3115.4176.600000110.5H493G491-H493 PolarHBondContact O-N 2.75Å
492G29.8Very low30.9Very low81 Ų81132.4 Ų132.484%0.83579%0.785SS**  trans-69119178.500000111.6G490G490-G492 PolarHBondContact O-N 2.91Å
493H28.1Very low30.7Very low195 Ų195134.1 Ų134.190%0.90380%0.799SS**  trans-113.2130.6160.8-122.6-80000108.5G491G491-H493 PolarHBondContact O-N 2.75Å
494V32.6Very low30.2Very low139 Ų139134 Ų13484%0.84281%0.809SS**PPolyproline II helixtrans-70.2148.1-172.7-179.30000111
495A29.9Very low30Very low92 Ų92134.1 Ų134.176%0.7682%0.817SS**PPolyproline II helixtrans-64.5160.6179.600000113.4
496Y27.9Very low29.7Very low236 Ų236136.7 Ų136.793%0.92582%0.821SS**PPolyproline II helixtrans-64.9137-177.8-87.2-97.2000114
497G27.8Very low29.1Very low65 Ų65132.7 Ų132.767%0.6782%0.816SS**  trans-113.9142.5147.600000109.4
498P40Very low28.5Very low128 Ų128134 Ų13483%0.83182%0.818SS**  trans-93.8172.1-173.836.8-36.4000114.5
499Q29.6Very low28.4Very low205 Ų205134 Ų13496%0.95881%0.811SS**  trans85126.3161.3-160.3176.795.300117.9
500G26Very low28.4Very low74 Ų74129.4 Ų129.476%0.76379%0.793SS**  trans160120.2172.300000113.2
501N26.3Very low28.4Very low181 Ų181133.5 Ų133.597%0.96879%0.79SS**  trans-83149.7176.5-81.5-27.5000112.1
502G26.3Very low28.3Very low75 Ų75141.2 Ų141.277%0.77380%0.795SS**  trans-175.2129.1168.600000112.7
503C25.1Very low28.2Very low125 Ų125148.4 Ų148.485%0.84580%0.797SS**  trans-116.5-176.1-173.3-66.30000112.5
504V26.3Very low28.1Very low129 Ų129146 Ų14678%0.78279%0.79SS**  trans98.390.4155.8-169.90000118.5
505S26.3Very low27.9Very low97 Ų97149.3 Ų149.368%0.67879%0.788SS**  64.9147.4117.9-52.70000125.2
506Q25.9Very low27.8Very low188 Ų188150.8 Ų150.888%0.87979%0.792SS**  trans66.3146.8156.1-73.7165.7-80.100119
507G26.5Very low28Very low65 Ų65149.1 Ų149.167%0.6778%0.784SS**  cis161.7160.5-11.600000115.3
508Y26.1Very low27.9Very low189 Ų189155.6 Ų155.674%0.74179%0.794SS**  trans75.3116.9160.3-86.3-106.8000122.2
509Y28.1Very low27.4Very low183 Ų183156.7 Ų156.772%0.71879%0.788SS**  trans76.6151.5136-79.2-167.5000119.6
510Q30.2Very low27.4Very low118 Ų118154.8 Ų154.855%0.55178%0.777SS**  cis-154.9154.87.5-134.617542.600115.1
511K29.3Very low27.4Very low161 Ų161156.2 Ų156.270%0.778%0.781SS**  trans62.4132.3155.4-74.2152.9-176.2166.40117.6
512R26Very low27.4Very low240 Ų240158.3 Ų158.391%0.90678%0.775SS**  59.2133.755.8-61.9-175.6-179.2-1781.1111.7
513R28.1Very low27.4Very low231 Ų231161.4 Ų161.487%0.87278%0.783SS**  cis-126.8-176.815.6-96.6176.4167.3157.7-4.8108.8
514L26.8Very low27.5Very low145 Ų145158.6 Ų158.676%0.75978%0.775SS**  cis-154.5-177.41.6-130169.6000109.1
515R28.2Very low27.5Very low209 Ų209159.2 Ų159.279%0.78978%0.784SS**  trans-149.1145.5157-93.9-175.9173.5166.1-2.2108.4
516S26.2Very low27.4Very low122 Ų122163.6 Ų163.685%0.85379%0.785SS**  trans-119.6152.9158.554.40000109.9
517R32.4Very low27.5Very low201 Ų201161.6 Ų161.676%0.75877%0.77SS**  trans-143.3138.1175.1-70.2178.2175.5170.2-2.7108.1
518F26.9Very low27.5Very low201 Ų201165.6 Ų165.688%0.88277%0.771SS**  trans-140.3112.2145.1-94.9-89.8000105.8
519H28Very low27.7Very low151 Ų151163.2 Ų163.270%0.69977%0.767SS**  6010899.5-84.6-101000112.9
520K31.2Very low27.7Very low166 Ų166160.7 Ų160.772%0.72277%0.766SS**  cis101.1100.535.4-178.6-171.6179.8-176.50111.4
521A25.7Very low27.6Very low103 Ų103164.1 Ų164.185%0.85178%0.782SS**  trans-115.5153.6154.300000108.9
522R26.4Very low27.7Very low226 Ų226167 Ų16785%0.85379%0.788SS**  trans-115.8133.6178.6-97.1179.5164.1175.3-7.5109.4
523C26.4Very low28.2Very low139 Ų139161.6 Ų161.694%0.93978%0.784SS**  -129.8152.8127.6-167.90000106.6
524G26.5Very low28.2Very low66 Ų66154.3 Ų154.368%0.6878%0.781SS**  trans-172.7134.8-178.500000113.7
525C25.9Very low28.4Very low142 Ų142159.1 Ų159.196%0.95979%0.789SS**  trans-93.7158.7156-65.40000109
526R25.1Very low28.4Very low189 Ų189153.9 Ų153.971%0.71379%0.791SS**  trans-158.3136.9-164.8-162.5-157.4-178.3-169.60.8104.9
527W27.4Very low28.4Very low146 Ų146154 Ų15455%0.55379%0.79SS**  cis-131.2-161.219-59.582.4000109.9E529W527-E529 WeakPolarHBondContact CZ3-OE2 3.26Å
528E26.2Very low28.7Very low149 Ų149156.1 Ų156.170%0.69680%0.798SS**  cis-147.9130.51.1-126.2131.2152.800104.2
529E30.8Very low28.8Very low140 Ų140157.3 Ų157.365%0.65480%0.797SS**  56.8120.579.2-63-178.6168.700111.6W527W527-E529 WeakPolarHBondContact CZ3-OE2 3.26Å
530D28.2Very low28.8Very low129 Ų129156 Ų15669%0.6980%0.802SS**  cis-147.9-179.66.5-108-41.7000109.5
531E28Very low29Very low190 Ų190156.6 Ų156.689%0.88881%0.807SS**  cis-131.8-169.822-63.8-171.9112.600113.9
532R30.6Very low29.4Very low221 Ų221156.1 Ų156.183%0.83480%0.803SS**  trans-111.8154.5-168-68.8-174.9-175.6168.86.7115.7
533P37Very low29.9Very low127 Ų127152.2 Ų152.283%0.82579%0.794SS**  trans-78.9129.4-179.731.1-35.5000113.8
534G28.2Very low31Very low78 Ų78151 Ų15180%0.80478%0.784SS**  trans-74.3147.6163.500000112.4
535R31.6Very low31.7Very low247 Ų247154.6 Ų154.693%0.93278%0.778SS**  trans-111.9147.2173.1-92-168.3175.8-139.30.2111.1
536A28.1Very low32.6Very low99 Ų99154 Ų15482%0.81876%0.762SS**  trans69.6150.2178.600000113.5
537C26.2Very low34Very low124 Ų124150 Ų15084%0.83875%0.754SS**PPolyproline II helixcis-102.215212.7-66.50000115.2R539C537-R539 PolarHBondContact O-N 3.45Å
538R39.2Very low35.8Very low246 Ų246149 Ų14993%0.92875%0.754SS**PPolyproline II helixtrans-64123.6154.4-73178172.3175.5-4.6107.6
539R27.7Very low37.4Very low225 Ų225148.4 Ų148.485%0.84975%0.746SS**PPolyproline II helixtrans-84.5140.6145.9-77.1-173.2175.5-178.4-0.5107.4C537 H541C537-R539 PolarHBondContact O-N 3.45Å; R539-H541 PolarHBondContact O-N 3.38Å
540P29.3Very low39.1Very low125 Ų125146.2 Ų146.281%0.81274%0.737SS**PPolyproline II helixtrans-59.2127.2156.2-14.129000107.3
541H35.5Very low40.9Very low178 Ų178148.9 Ų148.982%0.82474%0.738SS**PPolyproline II helixtrans-73.2127.9158.2-93.8-93.2000106.6R539 E543R539-H541 PolarHBondContact O-N 3.38Å; H541-E543 PolarHBondContact O-N 3Å
542A34Very low43.3Very low93 Ų93142.1 Ų142.177%0.76971%0.71SS**PPolyproline II helixtrans-60.2128.517200000108.7
543E36.9Very low45.5Very low144 Ų144135.4 Ų135.467%0.67370%0.696SS**PPolyproline II helixtrans-76.1139.3174.9-62.4-174.213700108.6H541 Y545H541-E543 PolarHBondContact O-N 3Å; E543-Y545 PolarHBondContact O-N 3.21Å
544P47.9Very low47.7Very low113 Ų113134.9 Ų134.973%0.73468%0.684SS**THydrogen-bonded Turntrans-65.719.1178.8-22.134.3000115.7
545Y42.2Very low50.3Low141 Ų141134.8 Ų134.855%0.55367%0.668SS**THydrogen-bonded Turntrans-96.8-33.3-175.8-170.9-109.7000111.9E543 F548 W549E543-Y545 PolarHBondContact O-N 3.21Å; Y545-F548 PolarHBondContact O-N 2.9Å; Y545-W549 AromaticContact CD1-CD1 3.98Å; Y545-W549 AromaticContact CE1-CD1 3.66Å; Y545-W549 AromaticContact CE1-NE1 3.37Å; Y545-W549 AromaticContact CE2-NE1 3.7Å; Y545-W549 AromaticContact CZ-CD1 3.84Å; Y545-W549 AromaticContact CZ-NE1 3.13Å; Y545-W549 PolarHBondContact O-N 3.49Å; Y545-W549 PolarHBondContact OH-NE1 3.1Å; Y545-W549 VanDerWaalsContact OH-NE1 3.12Å
546E45.7Very low52.9Low131 Ų131127.6 Ų127.661%0.61265%0.651SS**Hα-helixtrans-58.7-48.1175.4-64.5-82.1118.700110.9F548 W549 I550E546-F548 PolarHBondContact O-N 3.21Å; E546-W549 PolarHBondContact O-N 2.82Å; E546-W549 VanDerWaalsContact O-N 3.1Å; E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.46Å
547D53.9Low55.3Low103 Ų103125.5 Ų125.555%0.55163%0.63SS**Hα-helixtrans-60.1-31.9-177.3-62.5-34.1000113.1W551D547-W551 PolarHBondContact O-N 3.13Å
548F65.6Low57.7Low125 Ų125123.2 Ų123.255%0.54861%0.612SS.*Hα-helixtrans-69.4-45.1175.9179.7-99.4000111.4Y545 E546 I550 W551 V552Y545-F548 PolarHBondContact O-N 2.9Å; E546-F548 PolarHBondContact O-N 3.21Å; F548-I550 VanDerWaalsContact C-N 3.32Å; F548-I550 PolarHBondContact O-N 2.89Å; F548-W551 PolarHBondContact O-N 3.42Å; F548-V552 HydrophobicContact CD1-CG2 4.22Å; F548-V552 HydrophobicContact CE1-CG2 3.77Å; F548-V552 HydrophobicContact CE2-CG2 4.32Å; F548-V552 HydrophobicContact CZ-CG2 3.82Å; F548-V552 WeakPolarHBondContact O-CG2 3.32Å; F548-V552 PolarHBondContact O-N 2.9Å
549W59.1Low59.6Low138 Ų138118.6 Ų118.652%0.52360%0.599SS.*Hα-helixtrans-69.8-29.5176.2-74102.9000112.6Y545 E546 V552 S553Y545-W549 AromaticContact CD1-CD1 3.98Å; Y545-W549 AromaticContact CE1-CD1 3.66Å; Y545-W549 AromaticContact CE1-NE1 3.37Å; Y545-W549 AromaticContact CE2-NE1 3.7Å; Y545-W549 AromaticContact CZ-CD1 3.84Å; Y545-W549 AromaticContact CZ-NE1 3.13Å; Y545-W549 PolarHBondContact O-N 3.49Å; Y545-W549 PolarHBondContact OH-NE1 3.1Å; Y545-W549 VanDerWaalsContact OH-NE1 3.12Å; E546-W549 PolarHBondContact O-N 2.82Å; E546-W549 VanDerWaalsContact O-N 3.1Å; W549-V552 HydrophobicContact CE3-CB 4.47Å; W549-V552 HydrophobicContact CE3-CG1 4.4Å; W549-V552 HydrophobicContact CZ3-CG1 4.42Å; W549-S553 WeakPolarHBondContact O-CB 3.37Å; W549-S553 PolarHBondContact O-N 2.82Å
550I67.2Low62.2Low94 Ų94115.2 Ų115.248%0.48259%0.587SS.*Hα-helixtrans-64-43.4169.1-68.1165.2000110.5E546 F548 S553 M554E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.46Å; F548-I550 VanDerWaalsContact C-N 3.32Å; F548-I550 PolarHBondContact O-N 2.89Å; I550-S553 PolarHBondContact O-N 2.81Å; I550-M554 WeakPolarHBondContact O-CB 3.32Å; I550-M554 PolarHBondContact O-N 3.31Å
551W64.6Low64.4Low185 Ų185113.4 Ų113.470%0.70157%0.57SS**Hα-helixtrans-66.3-42.6175.2-10086.5000113.4D547 F548 M554 T555D547-W551 PolarHBondContact O-N 3.13Å; F548-W551 PolarHBondContact O-N 3.42Å; W551-M554 PolarHBondContact O-N 3.41Å; W551-T555 HydrophobicContact CE3-CG2 4.22Å; W551-T555 WeakPolarHBondContact O-CB 3.48Å; W551-T555 PolarHBondContact O-N 2.8Å; W551-T555 PolarHBondContact O-OG1 2.82Å
552V78.1Confident66.1Low48 Ų48110.2 Ų110.229%0.29156%0.557SS.*Hα-helixtrans-63.8-43.5174.8172.70000110.5F548 W549 T555 V556F548-V552 HydrophobicContact CD1-CG2 4.22Å; F548-V552 HydrophobicContact CE1-CG2 3.77Å; F548-V552 HydrophobicContact CE2-CG2 4.32Å; F548-V552 HydrophobicContact CZ-CG2 3.82Å; F548-V552 WeakPolarHBondContact O-CG2 3.32Å; F548-V552 PolarHBondContact O-N 2.9Å; W549-V552 HydrophobicContact CE3-CB 4.47Å; W549-V552 HydrophobicContact CE3-CG1 4.4Å; W549-V552 HydrophobicContact CZ3-CG1 4.42Å; V552-T555 WeakPolarHBondContact CA-OG1 3.38Å; V552-T555 PolarHBondContact O-N 2.81Å; V552-T555 PolarHBondContact O-OG1 3.16Å; V552-T555 VanDerWaalsContact O-OG1 3.1Å; V552-V556 HydrophobicContact CG1-CG2 4.45Å; V552-V556 WeakPolarHBondContact O-CB 3.43Å; V552-V556 VanDerWaalsContact O-CG2 3.3Å; V552-V556 WeakPolarHBondContact O-CG2 3.22Å; V552-V556 PolarHBondContact O-N 3.41Å
553S77.6Confident67.7Low80 Ų80108.1 Ų108.156%0.55954%0.535SS*.Hα-helixtrans-62-45.6174.8-174.70000112.1W549 I550 V556 C557W549-S553 WeakPolarHBondContact O-CB 3.37Å; W549-S553 PolarHBondContact O-N 2.82Å; I550-S553 PolarHBondContact O-N 2.81Å; S553-V556 PolarHBondContact O-N 3.5Å; S553-C557 WeakPolarHBondContact O-CB 3.24Å; S553-C557 PolarHBondContact O-N 2.93Å
554M82.6Confident69.3Low116 Ų116105.5 Ų105.557%0.57152%0.524SS*.Hα-helixtrans-61.6-45.5175.6-96.1-151.371.200112.4I550 W551 C557 V558I550-M554 WeakPolarHBondContact O-CB 3.32Å; I550-M554 PolarHBondContact O-N 3.31Å; W551-M554 PolarHBondContact O-N 3.41Å; M554-C557 PolarHBondContact O-N 2.94Å; M554-V558 HydrophobicContact CE-CG2 4.26Å; M554-V558 WeakPolarHBondContact O-CB 3.11Å; M554-V558 VanDerWaalsContact O-CG2 3.27Å; M554-V558 WeakPolarHBondContact O-CG2 3.3Å; M554-V558 PolarHBondContact O-N 2.82Å
555T83.6Confident69.8Low76 Ų76104.4 Ų104.447%0.46652%0.519SS..Hα-helixtrans-68.2-39.2-179.245.80000112.4W551 V552 F559W551-T555 HydrophobicContact CE3-CG2 4.22Å; W551-T555 WeakPolarHBondContact O-CB 3.48Å; W551-T555 PolarHBondContact O-N 2.8Å; W551-T555 PolarHBondContact O-OG1 2.82Å; V552-T555 WeakPolarHBondContact CA-OG1 3.38Å; V552-T555 PolarHBondContact O-N 2.81Å; V552-T555 PolarHBondContact O-OG1 3.16Å; V552-T555 VanDerWaalsContact O-OG1 3.1Å; T555-F559 VanDerWaalsContact O-CB 3.26Å; T555-F559 WeakPolarHBondContact O-CB 3.41Å; T555-F559 PolarHBondContact O-N 3.34Å
556V85.9Confident70.5Confident95 Ų95108 Ų10858%0.57653%0.531SS*.Hα-helixtrans-65.1-41.4170.6171.30000111.4V552 S553 F559 W560V552-V556 HydrophobicContact CG1-CG2 4.45Å; V552-V556 WeakPolarHBondContact O-CB 3.43Å; V552-V556 VanDerWaalsContact O-CG2 3.3Å; V552-V556 WeakPolarHBondContact O-CG2 3.22Å; V552-V556 PolarHBondContact O-N 3.41Å; S553-V556 PolarHBondContact O-N 3.5Å; V556-F559 PolarHBondContact O-N 3.44Å; V556-W560 VanDerWaalsContact O-CB 3.3Å; V556-W560 WeakPolarHBondContact O-CB 3.44Å; V556-W560 PolarHBondContact O-N 3.17Å
557C77.9Confident70.7Confident56 Ų56108.2 Ų108.238%0.37854%0.536SS..Hα-helixtrans-68-43.4179.4-171.80000112.2S553 M554 W560 L561S553-C557 WeakPolarHBondContact O-CB 3.24Å; S553-C557 PolarHBondContact O-N 2.93Å; M554-C557 PolarHBondContact O-N 2.94Å; C557-W560 PolarHBondContact O-N 3.47Å; C557-L561 WeakPolarHBondContact O-CB 3.1Å; C557-L561 VanDerWaalsContact O-CG 3.26Å; C557-L561 WeakPolarHBondContact O-CG 3.4Å; C557-L561 PolarHBondContact O-N 2.81Å
558V78.1Confident70.5Confident76 Ų76108 Ų10846%0.46154%0.535SS..Hα-helixtrans-64.3-40.1174.1169.90000110.9M554 M562M554-V558 HydrophobicContact CE-CG2 4.26Å; M554-V558 WeakPolarHBondContact O-CB 3.11Å; M554-V558 VanDerWaalsContact O-CG2 3.27Å; M554-V558 WeakPolarHBondContact O-CG2 3.3Å; M554-V558 PolarHBondContact O-N 2.82Å; V558-M562 WeakPolarHBondContact O-CB 3.3Å; V558-M562 VanDerWaalsContact O-CG 3.26Å; V558-M562 WeakPolarHBondContact O-CG 3.4Å; V558-M562 PolarHBondContact O-N 3.3Å
559F78.8Confident69.8Low149 Ų149108.2 Ų108.265%0.65455%0.548SS*.Hα-helixtrans-65.5-43.4174.8-169.3-94.9000111.8T555 V556 M562 C563T555-F559 VanDerWaalsContact O-CB 3.26Å; T555-F559 WeakPolarHBondContact O-CB 3.41Å; T555-F559 PolarHBondContact O-N 3.34Å; V556-F559 PolarHBondContact O-N 3.44Å; F559-M562 PolarHBondContact O-N 3.28Å; F559-C563 PolarHBondContact O-N 2.99Å; F559-C563 PolarHBondContact O-SG 3.29Å; F559-C563 VanDerWaalsContact O-SG 3.4Å
560W82.1Confident69.4Low154 Ų154104.2 Ų104.258%0.58355%0.55SS*.Hα-helixtrans-62.8-45.3175.1179.461.9000112V556 C557 M562 C563 M564V556-W560 VanDerWaalsContact O-CB 3.3Å; V556-W560 WeakPolarHBondContact O-CB 3.44Å; V556-W560 PolarHBondContact O-N 3.17Å; C557-W560 PolarHBondContact O-N 3.47Å; W560-M562 VanDerWaalsContact C-N 3.33Å; W560-M562 PolarHBondContact O-N 3.06Å; W560-C563 WeakPolarHBondContact O-CB 3.31Å; W560-C563 PolarHBondContact O-N 2.9Å; W560-C563 VanDerWaalsContact O-N 3.16Å; W560-M564 HydrophobicContact CD2-CG 4.27Å; W560-M564 HydrophobicContact CG-CG 4.47Å; W560-M564 HydrophobicContact CZ2-CG 4.2Å; W560-M564 VanDerWaalsContact O-CG 3.31Å; W560-M564 WeakPolarHBondContact O-CG 3.27Å; W560-M564 PolarHBondContact O-N 3.09Å
561L75.3Confident68.5Low87 Ų87106.5 Ų106.546%0.45556%0.562SS.*Hα-helixtrans-60-41.6173.4-73.8168.9000111.5C557 M564 C565C557-L561 WeakPolarHBondContact O-CB 3.1Å; C557-L561 VanDerWaalsContact O-CG 3.26Å; C557-L561 WeakPolarHBondContact O-CG 3.4Å; C557-L561 PolarHBondContact O-N 2.81Å; L561-M564 PolarHBondContact O-N 3.29Å; L561-C565 VanDerWaalsContact O-CB 3.32Å; L561-C565 WeakPolarHBondContact O-CB 3.26Å; L561-C565 PolarHBondContact O-N 3.07Å; L561-C565 PolarHBondContact O-SG 2.99Å
562M70.6Confident67.2Low111 Ų111108.7 Ų108.755%0.54757%0.571SS.*Hα-helixtrans-64.1-38.7173.8-75.1-81.389.600112.6V558 F559 W560 C565 R566V558-M562 WeakPolarHBondContact O-CB 3.3Å; V558-M562 VanDerWaalsContact O-CG 3.26Å; V558-M562 WeakPolarHBondContact O-CG 3.4Å; V558-M562 PolarHBondContact O-N 3.3Å; F559-M562 PolarHBondContact O-N 3.28Å; W560-M562 VanDerWaalsContact C-N 3.33Å; W560-M562 PolarHBondContact O-N 3.06Å; M562-C565 HydrophobicContact CE-CB 4.4Å; M562-R566 WeakPolarHBondContact O-CB 3.35Å; M562-R566 VanDerWaalsContact O-CG 3.22Å; M562-R566 WeakPolarHBondContact O-CG 3.23Å; M562-R566 PolarHBondContact O-N 3.12Å
563C68.1Low65.6Low48 Ų48111.6 Ų111.632%0.32459%0.592SS.*Hα-helixtrans-63.4-47.2171.3-720000111.7F559 W560 R566 L567F559-C563 PolarHBondContact O-N 2.99Å; F559-C563 PolarHBondContact O-SG 3.29Å; F559-C563 VanDerWaalsContact O-SG 3.4Å; W560-C563 WeakPolarHBondContact O-CB 3.31Å; W560-C563 PolarHBondContact O-N 2.9Å; W560-C563 VanDerWaalsContact O-N 3.16Å; C563-R566 CarbonylContact O-C 3.59Å; C563-R566 PolarHBondContact O-N 3.05Å; C563-R566 VanDerWaalsContact O-N 3.13Å; C563-L567 VanDerWaalsContact O-CB 3.32Å; C563-L567 WeakPolarHBondContact O-CB 3.32Å; C563-L567 VanDerWaalsContact O-CG 3.24Å; C563-L567 WeakPolarHBondContact O-CG 3.32Å; C563-L567 PolarHBondContact O-N 3.33Å
564M70.6Confident64Low89 Ų89117.1 Ų117.144%0.43861%0.608SS.*Hα-helixtrans-63.9-42178.9-66-60.1-69.200111.9W560 L561 R566 L567 N568W560-M564 HydrophobicContact CD2-CG 4.27Å; W560-M564 HydrophobicContact CG-CG 4.47Å; W560-M564 HydrophobicContact CZ2-CG 4.2Å; W560-M564 VanDerWaalsContact O-CG 3.31Å; W560-M564 WeakPolarHBondContact O-CG 3.27Å; W560-M564 PolarHBondContact O-N 3.09Å; L561-M564 PolarHBondContact O-N 3.29Å; M564-R566 VanDerWaalsContact C-N 3.27Å; M564-R566 PolarHBondContact O-N 3.36Å; M564-L567 CarbonylContact O-C 3.59Å; M564-L567 PolarHBondContact O-N 3.41Å; M564-L567 VanDerWaalsContact O-N 3.14Å; M564-N568 WeakPolarHBondContact O-CB 3.36Å; M564-N568 PolarHBondContact O-N 3.33Å
565C57.4Low61.9Low91 Ų91120 Ų12062%0.61562%0.62SS**Hα-helixtrans-67.5-23.8173.6-690000113.4L561 M562L561-C565 VanDerWaalsContact O-CB 3.32Å; L561-C565 WeakPolarHBondContact O-CB 3.26Å; L561-C565 PolarHBondContact O-N 3.07Å; L561-C565 PolarHBondContact O-SG 2.99Å; M562-C565 HydrophobicContact CE-CB 4.4Å
566R57.8Low59.7Low216 Ų216126.2 Ų126.282%0.81566%0.658SS**Hα-helixtrans-84.3-18.7170.7-75.3-72.8-179.592.7-1.7113.5M562 C563 M564M562-R566 WeakPolarHBondContact O-CB 3.35Å; M562-R566 VanDerWaalsContact O-CG 3.22Å; M562-R566 WeakPolarHBondContact O-CG 3.23Å; M562-R566 PolarHBondContact O-N 3.12Å; C563-R566 CarbonylContact O-C 3.59Å; C563-R566 PolarHBondContact O-N 3.05Å; C563-R566 VanDerWaalsContact O-N 3.13Å; M564-R566 VanDerWaalsContact C-N 3.27Å; M564-R566 PolarHBondContact O-N 3.36Å
567L50.6Low58.4Low135 Ų135127.8 Ų127.871%0.70766%0.662SS**Hα-helixtrans-103.1-1.1-177.9-71.8170000114C563 M564 P569C563-L567 VanDerWaalsContact O-CB 3.32Å; C563-L567 WeakPolarHBondContact O-CB 3.32Å; C563-L567 VanDerWaalsContact O-CG 3.24Å; C563-L567 WeakPolarHBondContact O-CG 3.32Å; C563-L567 PolarHBondContact O-N 3.33Å; M564-L567 CarbonylContact O-C 3.59Å; M564-L567 PolarHBondContact O-N 3.41Å; M564-L567 VanDerWaalsContact O-N 3.14Å; L567-P569 VanDerWaalsContact O-CD 3.23Å; L567-P569 WeakPolarHBondContact O-CD 3.38Å
568N48.3Very low57.4Low100 Ų100131.6 Ų131.654%0.53568%0.677SS.*  trans-117.461.2-178.5-158.72.7000113.6M564 G570M564-N568 WeakPolarHBondContact O-CB 3.36Å; M564-N568 PolarHBondContact O-N 3.33Å; N568-G570 PolarHBondContact O-N 3.32Å
569P50.7Low56.2Low128 Ų128134.7 Ų134.783%0.83169%0.689SS**  trans-76.269174.135.4-36.3000111.2L567L567-P569 VanDerWaalsContact O-CD 3.23Å; L567-P569 WeakPolarHBondContact O-CD 3.38Å
570G50.8Low54.9Low54 Ų54133.8 Ų133.856%0.55769%0.691SS**  trans131.3103.4166.200000115.4N568N568-G570 PolarHBondContact O-N 3.32Å
571I48.4Very low53.2Low142 Ų142132.6 Ų132.673%0.72870%0.698SS**  trans-150.1108.6133.5-85.9130.1000106.5
572Y38.6Very low51.7Low231 Ų231135.6 Ų135.691%0.90671%0.714SS**  trans-151.2116.2152.2-94.2-70.9000106.7
573P43.9Very low50.4Low110 Ų110137.4 Ų137.471%0.71473%0.726SS**  trans-78145.8-178.431.6-34.3000111.8
574Q43.2Very low49Very low195 Ų195144.2 Ų144.291%0.91176%0.757SS**  trans-79.6118.8167.5-71.8-178.8-54.400110.5
575Q39.8Very low47.2Very low177 Ų177148.8 Ų148.883%0.82778%0.783SS**  trans-156.5137.4163.9-76.4-162.8-22.400108.2
576V37.3Very low46.3Very low207 Ų207154.1 Ų154.1100%1.25580%0.799SS**  cis-140.20-19.2150.70000106.1

Retrieved 576 of 576 residues in 156 ms (Link to these results)

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