A0A087X709_POEFO Loading...

Solute carrier family 24 member 5

AlphaFold DB , UniProt , Accession A0A087X709, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 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
1M52.1Low70.4Confident236 Ų23662 Ų62100%1.16333%0.327SS*.  0131.10-72.1172.6-172.400107.3
2A59.6Low71.4Confident55 Ų5559.6 Ų59.646%0.45531%0.31SS..PPolyproline II helixtrans-93.7120.3175.200000108.3D302A2-D302 VanDerWaalsContact CB-OD1 3.24Å; A2-D302 WeakPolarHBondContact CB-OD1 3.34Å
3G64.6Low72.3Confident20 Ų2055 Ų5521%0.20629%0.286CS..EExtended strand (participates in β ladder)trans-81.8133.9174.600000110.2L301G3-L301 PolarHBondContact O-N 3.22Å
4R71.3Confident73.2Confident112 Ų11252 Ų5242%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-80.9138.7168-71.3-168.2-168.2170.715.7109.1E79R4-E79 IonicContact CZ-OE1 3.99Å; R4-E79 IonicContact CZ-OE2 3.14Å; R4-E79 IonicContact NH1-OE2 2.73Å; R4-E79 PolarHBondContact NH1-OE2 3.36Å; R4-E79 IonicContact NH2-OE1 3.31Å; R4-E79 PolarHBondContact NH2-OE1 2.84Å; R4-E79 IonicContact NH2-OE2 2.77Å; R4-E79 PolarHBondContact NH2-OE2 3.4Å
5L69.8Low74Confident15 Ų1554.5 Ų54.58%0.07929%0.285CS..PPolyproline II helixtrans-103.1138.7179.3-71.2153.8000111.1D235 M238 V294 W299 L301L5-D235 WeakPolarHBondContact CA-OD1 3.4Å; L5-D235 WeakPolarHBondContact CD2-OD1 3.44Å; L5-M238 HydrophobicContact CD2-CB 3.92Å; L5-M238 HydrophobicContact CD2-CG 3.59Å; L5-V294 HydrophobicContact CD1-CG1 3.88Å; L5-W299 HydrophobicContact CB-CB 4.46Å; L5-W299 HydrophobicContact CB-CE3 4.32Å; L5-W299 WeakPolarHBondContact CB-O 3.32Å; L5-W299 PolarHBondContact N-O 3.23Å; L5-L301 HydrophobicContact CD1-CB 4.06Å; L5-L301 HydrophobicContact CD1-CD1 4.06Å
6T73.8Confident74.7Confident58 Ų5852.1 Ų52.136%0.35628%0.276SS..PPolyproline II helixtrans-82.8137.8167500000110.4P9 D235T6-P9 WeakPolarHBondContact OG1-CD 3.25Å; T6-D235 WeakPolarHBondContact CB-OD2 3.4Å; T6-D235 VanDerWaalsContact CG2-OD2 3.27Å; T6-D235 WeakPolarHBondContact CG2-OD2 3.31Å; T6-D235 PolarHBondContact N-OD1 3.02Å; T6-D235 PolarHBondContact N-OD2 3.45Å; T6-D235 PolarHBondContact OG1-OD1 3.43Å; T6-D235 PolarHBondContact OG1-OD2 2.98Å
7C71.5Confident75.5Confident23 Ų2350 Ų5016%0.15526%0.263CS..Hα-helixtrans-69.8-35.7-173.9174.40000113.5F11 W299C7-F11 VanDerWaalsContact O-CB 3.27Å; C7-F11 WeakPolarHBondContact O-CB 3.44Å; C7-F11 PolarHBondContact O-N 2.77Å; C7-W299 HydrophobicContact CB-CD2 4.26Å; C7-W299 HydrophobicContact CB-CE3 4.09Å; C7-W299 HydrophobicContact CB-CH2 3.58Å; C7-W299 HydrophobicContact CB-CZ2 3.73Å; C7-W299 HydrophobicContact CB-CZ3 3.79Å; C7-W299 WeakPolarHBondContact SG-CH2 3.45Å; C7-W299 WeakPolarHBondContact SG-CZ2 3.29Å
8W73.9Confident76.2Confident41 Ų4148.4 Ų48.416%0.15526%0.261CS..Hα-helixtrans-68-52.3-169-179.5-102.8000114.5L10 F11 R12 I58 V62W8-L10 PolarHBondContact O-N 3.23Å; W8-F11 HydrophobicContact CZ3-CD1 4.45Å; W8-F11 PolarHBondContact O-N 3.32Å; W8-R12 WeakPolarHBondContact O-CB 3.17Å; W8-R12 PolarHBondContact O-N 3.32Å; W8-I58 HydrophobicContact CZ2-CG2 3.93Å; W8-V62 HydrophobicContact CE3-CG1 3.95Å; W8-V62 HydrophobicContact CH2-CB 3.59Å; W8-V62 HydrophobicContact CH2-CG1 3.4Å; W8-V62 HydrophobicContact CH2-CG2 3.52Å; W8-V62 HydrophobicContact CZ2-CB 3.93Å; W8-V62 HydrophobicContact CZ2-CG1 4.2Å; W8-V62 HydrophobicContact CZ2-CG2 3.86Å; W8-V62 HydrophobicContact CZ3-CB 3.91Å; W8-V62 HydrophobicContact CZ3-CG1 3.24Å; W8-V62 HydrophobicContact CZ3-CG2 4.28Å
9P76.4Confident76.8Confident31 Ų3150.7 Ų50.720%0.20127%0.272CS..Hα-helixtrans-64.5-41.3-177.7-20.734.6000112T6 R12 D13T6-P9 WeakPolarHBondContact OG1-CD 3.25Å; P9-R12 PolarHBondContact O-N 3.18Å; P9-D13 VanDerWaalsContact O-CG 3.27Å; P9-D13 PolarHBondContact O-N 3.13Å
10L78.6Confident77.4Confident5 Ų548.4 Ų48.43%0.02626%0.26CS..Hα-helixtrans-64.5-44.9178.8-171.172.9000111.6W8 R12 D13 C14 M238 V242 V294 W299W8-L10 PolarHBondContact O-N 3.23Å; L10-R12 PolarHBondContact O-N 2.96Å; L10-D13 PolarHBondContact O-N 3.25Å; L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.25Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-C14 PolarHBondContact O-SG 3.48Å; L10-M238 HydrophobicContact CD1-CB 4.39Å; L10-M238 HydrophobicContact CD1-CE 4Å; L10-V242 HydrophobicContact CD1-CG2 4.22Å; L10-V294 HydrophobicContact CD2-CB 4.27Å; L10-V294 HydrophobicContact CD2-CG1 3.79Å; L10-V294 HydrophobicContact CD2-CG2 4.37Å; L10-W299 HydrophobicContact CB-CZ3 4.38Å; L10-W299 HydrophobicContact CD2-CZ3 3.79Å
11F82.7Confident77.9Confident86 Ų8646 Ų4638%0.37725%0.247SC..Hα-helixtrans-61.9-44.2177.8176.6-102.5000111.9C7 W8 L15 F291C7-F11 VanDerWaalsContact O-CB 3.27Å; C7-F11 WeakPolarHBondContact O-CB 3.44Å; C7-F11 PolarHBondContact O-N 2.77Å; W8-F11 HydrophobicContact CZ3-CD1 4.45Å; W8-F11 PolarHBondContact O-N 3.32Å; F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 WeakPolarHBondContact O-CB 3.41Å; F11-L15 PolarHBondContact O-N 3.46Å; F11-F291 HydrophobicContact CB-CE2 4.25Å; F11-F291 AromaticContact CD2-CE2 3.92Å; F11-F291 HydrophobicContact CD2-CE2 3.92Å; F11-F291 AromaticContact CD2-CZ 3.87Å; F11-F291 HydrophobicContact CD2-CZ 3.87Å
12R82.3Confident79.5Confident33 Ų3337.2 Ų37.213%0.12521%0.212CC..Hα-helixtrans-57.5-49.4175.9178.9-157.569-154.80.4111.4W8 P9 L10 L15 A16 D55W8-R12 WeakPolarHBondContact O-CB 3.17Å; W8-R12 PolarHBondContact O-N 3.32Å; P9-R12 PolarHBondContact O-N 3.18Å; L10-R12 PolarHBondContact O-N 2.96Å; R12-L15 PolarHBondContact O-N 2.83Å; R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.35Å; R12-D55 VanDerWaalsContact CD-OD1 3.29Å; R12-D55 WeakPolarHBondContact CD-OD1 3.28Å; R12-D55 IonicContact CZ-OD1 3.69Å; R12-D55 IonicContact NE-OD1 3.89Å; R12-D55 IonicContact NH1-OD1 2.72Å; R12-D55 PolarHBondContact NH1-OD1 2.96Å; R12-D55 IonicContact NH1-OD2 2.87Å; R12-D55 PolarHBondContact NH1-OD2 3.39Å
13D83.3Confident80.8Confident0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-69.7-40.3-176.5-65.5-19.7000111.5P9 L10 L15 A16 Y17 S239 V242P9-D13 VanDerWaalsContact O-CG 3.27Å; P9-D13 PolarHBondContact O-N 3.13Å; L10-D13 PolarHBondContact O-N 3.25Å; D13-L15 PolarHBondContact O-N 2.93Å; D13-A16 PolarHBondContact O-N 3.38Å; D13-Y17 WeakPolarHBondContact O-CB 3.47Å; D13-Y17 PolarHBondContact O-N 3.47Å; D13-S239 WeakPolarHBondContact OD2-CB 3.38Å; D13-S239 PolarHBondContact OD2-OG 3.4Å; D13-V242 HydrophobicContact CB-CB 4.1Å; D13-V242 HydrophobicContact CB-CG1 3.68Å
14C84.9Confident81.9Confident13 Ų1335.2 Ų35.29%0.08819%0.193CC..Hα-helixtrans-64.1-37.9172.8-69.60000112.5L10 Y17 G18 I287 F291L10-C14 VanDerWaalsContact O-CB 3.31Å; L10-C14 WeakPolarHBondContact O-CB 3.25Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-C14 PolarHBondContact O-SG 3.48Å; C14-Y17 PolarHBondContact O-N 2.76Å; C14-G18 PolarHBondContact O-N 3.27Å; C14-I287 HydrophobicContact CB-CD1 4.38Å; C14-I287 HydrophobicContact CB-CG1 4.22Å; C14-F291 HydrophobicContact CB-CD2 4.34Å
15L86.1Confident82.5Confident89 Ų8932.2 Ų32.247%0.46619%0.185SC..Hα-helixtrans-67-46.3176.2-179.568.1000110.9F11 R12 D13 Y17 G18 I19F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 WeakPolarHBondContact O-CB 3.41Å; F11-L15 PolarHBondContact O-N 3.46Å; R12-L15 PolarHBondContact O-N 2.83Å; D13-L15 PolarHBondContact O-N 2.93Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 2.91Å; L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.02Å; L15-I19 WeakPolarHBondContact O-CG1 3.14Å; L15-I19 PolarHBondContact O-N 3.5Å
16A85.1Confident83.3Confident17 Ų1733.9 Ų33.914%0.1421%0.206CC..Hα-helixtrans-60-41.7175.800000111.4R12 D13 I19 S20 Y48 V246R12-A16 WeakPolarHBondContact O-CB 3.38Å; R12-A16 PolarHBondContact O-N 3.35Å; D13-A16 PolarHBondContact O-N 3.38Å; A16-I19 PolarHBondContact O-N 3.24Å; A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.24Å; A16-S20 PolarHBondContact O-OG 3.15Å; A16-Y48 HydrophobicContact CB-CD2 3.7Å; A16-Y48 HydrophobicContact CB-CE2 3.6Å; A16-V246 HydrophobicContact CB-CG1 4.44Å
17Y87.8Confident83.8Confident16 Ų1632 Ų326%0.06319%0.193CC..Hα-helixtrans-60.3-49.9173.2-169.9-80.4000112D13 C14 L15 I19 S20 V21 N245 V246 I287D13-Y17 WeakPolarHBondContact O-CB 3.47Å; D13-Y17 PolarHBondContact O-N 3.47Å; C14-Y17 PolarHBondContact O-N 2.76Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.34Å; Y17-I19 VanDerWaalsContact C-N 3.33Å; Y17-I19 PolarHBondContact O-N 3.44Å; Y17-S20 PolarHBondContact O-N 2.94Å; Y17-S20 VanDerWaalsContact O-N 3.13Å; Y17-V21 HydrophobicContact CD1-CG2 3.77Å; Y17-V21 HydrophobicContact CE1-CG2 3.4Å; Y17-V21 WeakPolarHBondContact O-CG2 3.19Å; Y17-V21 PolarHBondContact O-N 3.04Å; Y17-N245 HydrophobicContact CD2-CB 4.18Å; Y17-N245 HydrophobicContact CE2-CB 3.62Å; Y17-V246 HydrophobicContact CD2-CG2 3.69Å; Y17-V246 HydrophobicContact CG-CG2 4.12Å; Y17-I287 HydrophobicContact CD1-CB 3.83Å; Y17-I287 HydrophobicContact CD1-CG1 3.86Å; Y17-I287 HydrophobicContact CD1-CG2 3.67Å; Y17-I287 HydrophobicContact CE1-CB 3.92Å; Y17-I287 HydrophobicContact CE1-CG1 4.4Å; Y17-I287 HydrophobicContact CE1-CG2 3.84Å; Y17-I287 HydrophobicContact CG-CG1 4.23Å
18G87.9Confident84.4Confident22 Ų2231 Ų3123%0.22719%0.187CC..Hα-helixtrans-59.1-42.4178.900000112.9C14 L15 A22C14-G18 PolarHBondContact O-N 3.27Å; L15-G18 PolarHBondContact O-N 2.91Å; G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3Å
19I87.8Confident84.7Confident92 Ų9233 Ų3347%0.47221%0.206SC..Hα-helixtrans-63.5-43.7174.9-67.7167.1000110.8L15 A16 Y17 A22 A23L15-I19 HydrophobicContact CD1-CD1 4.31Å; L15-I19 HydrophobicContact CG-CD1 4.02Å; L15-I19 WeakPolarHBondContact O-CG1 3.14Å; L15-I19 PolarHBondContact O-N 3.5Å; A16-I19 PolarHBondContact O-N 3.24Å; Y17-I19 VanDerWaalsContact C-N 3.33Å; Y17-I19 PolarHBondContact O-N 3.44Å; I19-A22 PolarHBondContact O-N 2.96Å; I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.49Å
20S88Confident85Confident3 Ų334.9 Ų34.92%0.02122%0.215CC..Hα-helixtrans-64.2-44.6-179.3-55.90000111.6A16 Y17 A23 V24A16-S20 WeakPolarHBondContact O-CB 3.41Å; A16-S20 PolarHBondContact O-N 3.24Å; A16-S20 PolarHBondContact O-OG 3.15Å; Y17-S20 PolarHBondContact O-N 2.94Å; Y17-S20 VanDerWaalsContact O-N 3.13Å; S20-A23 PolarHBondContact O-N 3.33Å; S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 2.86Å; S20-V24 VanDerWaalsContact O-N 3.09Å
21V87.7Confident85.1Confident0 Ų037.6 Ų37.60%023%0.229CC..Hα-helixtrans-65.5-43.1176.3174.60000111.3Y17 A23 V24 I25 L284Y17-V21 HydrophobicContact CD1-CG2 3.77Å; Y17-V21 HydrophobicContact CE1-CG2 3.4Å; Y17-V21 WeakPolarHBondContact O-CG2 3.19Å; Y17-V21 PolarHBondContact O-N 3.04Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.36Å; V21-V24 PolarHBondContact O-N 3.41Å; V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.41Å; V21-L284 HydrophobicContact CG1-CB 3.98Å; V21-L284 HydrophobicContact CG1-CD1 4.23Å
22A87Confident85.2Confident51 Ų5137.8 Ų37.842%0.42123%0.23SC..Hα-helixtrans-61.7-39.9176.700000112.3G18 I19 I25 G26G18-A22 VanDerWaalsContact O-CB 3.31Å; G18-A22 WeakPolarHBondContact O-CB 3.38Å; G18-A22 PolarHBondContact O-N 3Å; I19-A22 PolarHBondContact O-N 2.96Å; A22-I25 PolarHBondContact O-N 3.2Å; A22-G26 PolarHBondContact O-N 3.06Å
23A87.1Confident85.4Confident30 Ų3036.2 Ų36.225%0.24822%0.224CC..Hα-helixtrans-61.4-44.3175.300000111.4I19 S20 V21 G26 I27 L41I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.49Å; S20-A23 PolarHBondContact O-N 3.33Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 3.36Å; A23-G26 PolarHBondContact O-N 3.33Å; A23-I27 WeakPolarHBondContact O-CG1 3.42Å; A23-I27 PolarHBondContact O-N 3.16Å; A23-L41 HydrophobicContact CB-CD2 4.16Å
24V86.1Confident85.6Confident2 Ų239.7 Ų39.71%0.01224%0.239CC..Hα-helixtrans-68.8-40.1178.6174.70000112.1S20 V21 G26 I27 I28 L41 M249 W256S20-V24 WeakPolarHBondContact O-CG2 3.39Å; S20-V24 PolarHBondContact O-N 2.86Å; S20-V24 VanDerWaalsContact O-N 3.09Å; V21-V24 PolarHBondContact O-N 3.41Å; V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 2.93Å; V24-I27 PolarHBondContact O-N 3.09Å; V24-I28 HydrophobicContact CG1-CD1 3.27Å; V24-I28 HydrophobicContact CG1-CG1 4.14Å; V24-I28 WeakPolarHBondContact O-CB 3.14Å; V24-I28 WeakPolarHBondContact O-CD1 3.04Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 3.14Å; V24-L41 HydrophobicContact CG2-CD1 4.19Å; V24-L41 HydrophobicContact CG2-CD2 3.56Å; V24-M249 HydrophobicContact CB-CE 3.41Å; V24-M249 VanDerWaalsContact CB-CE 3.41Å; V24-M249 HydrophobicContact CG1-CE 3.23Å; V24-M249 HydrophobicContact CG2-CE 3.49Å; V24-M249 VanDerWaalsContact CG2-CE 3.49Å; V24-M249 HydrophobicContact CG2-CG 4.13Å; V24-W256 HydrophobicContact CG1-CH2 4.41Å
25I85.5Confident85.7Confident50 Ų5045.5 Ų45.526%0.25626%0.26SS..Hα-helixtrans-57.6-44.5172.6-69.9167.9000110.6V21 A22 I27 I28 S29 S280 L284V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 HydrophobicContact CG1-CG1 4.3Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.41Å; A22-I25 PolarHBondContact O-N 3.2Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 3.27Å; I25-I28 PolarHBondContact O-N 2.83Å; I25-S29 PolarHBondContact O-N 3.45Å; I25-S29 VanDerWaalsContact O-N 3.14Å; I25-S280 WeakPolarHBondContact CG1-OG 3.41Å; I25-L284 HydrophobicContact CD1-CD1 4.49Å
26G84.9Confident85.8Confident50 Ų5046.9 Ų46.952%0.51526%0.259SS..Hα-helixtrans-59.8-43177.800000112.7A22 A23 V24A22-G26 PolarHBondContact O-N 3.06Å; A23-G26 PolarHBondContact O-N 3.33Å; V24-G26 VanDerWaalsContact C-N 3.28Å; V24-G26 PolarHBondContact O-N 2.93Å
27I85.3Confident86Confident17 Ų1747.3 Ų47.39%0.08726%0.258CS..Hα-helixtrans-72.6-32-179.3-69.9167.6000112.6A23 V24 I25 S29 V33 E37 L41 W256A23-I27 WeakPolarHBondContact O-CG1 3.42Å; A23-I27 PolarHBondContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.09Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 3.27Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-V33 HydrophobicContact CG2-CG1 4.06Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; I27-E37 HydrophobicContact CD1-CB 4.27Å; I27-E37 WeakPolarHBondContact CD1-O 3.27Å; I27-E37 HydrophobicContact CG1-CB 4.08Å; I27-E37 HydrophobicContact CG1-CG 4.19Å; I27-E37 HydrophobicContact CG2-CB 3.87Å; I27-E37 HydrophobicContact CG2-CG 4.39Å; I27-L41 HydrophobicContact CD1-CD1 3.74Å; I27-L41 HydrophobicContact CD1-CD2 3.74Å; I27-L41 HydrophobicContact CD1-CG 3.42Å; I27-L41 VanDerWaalsContact CD1-CG 3.42Å; I27-W256 HydrophobicContact CG2-CZ3 4.23Å
28I83.2Confident86Confident4 Ų446.5 Ų46.52%0.02126%0.255CS..Hα-helixtrans-82.5-15.9179.9-66.7161.7000111.7V24 I25 D30 N31 W256 V271 L276V24-I28 HydrophobicContact CG1-CD1 3.27Å; V24-I28 HydrophobicContact CG1-CG1 4.14Å; V24-I28 WeakPolarHBondContact O-CB 3.14Å; V24-I28 WeakPolarHBondContact O-CD1 3.04Å; V24-I28 WeakPolarHBondContact O-CG1 3.32Å; V24-I28 PolarHBondContact O-N 3.14Å; I25-I28 PolarHBondContact O-N 2.83Å; I28-D30 PolarHBondContact O-N 2.7Å; I28-D30 VanDerWaalsContact O-N 3.09Å; I28-N31 PolarHBondContact O-N 2.87Å; I28-W256 HydrophobicContact CD1-CH2 4.01Å; I28-W256 HydrophobicContact CG1-CH2 3.91Å; I28-V271 HydrophobicContact CG2-CG1 4.45Å; I28-L276 HydrophobicContact CD1-CD2 3.53Å; I28-L276 HydrophobicContact CD1-CG 4.01Å; I28-L276 HydrophobicContact CG1-CD2 4.1Å; I28-L276 HydrophobicContact CG2-CB 4.26Å; I28-L276 HydrophobicContact CG2-CD2 3.92Å; I28-L276 HydrophobicContact CG2-CG 4.41Å
29S81.4Confident86.1Confident81 Ų8146.9 Ų46.957%0.56626%0.256SS*.THydrogen-bonded Turntrans-60.6-25.3-169.7-174.50000114.6I25 I27I25-S29 PolarHBondContact O-N 3.45Å; I25-S29 VanDerWaalsContact O-N 3.14Å; I27-S29 VanDerWaalsContact C-N 3.34Å
30D83.1Confident86.1Confident72 Ų7245.6 Ų45.639%0.38526%0.255SS..THydrogen-bonded Turntrans-100.45.6-178.864.7-5.4000113.5I28 K32I28-D30 PolarHBondContact O-N 2.7Å; I28-D30 VanDerWaalsContact O-N 3.09Å; D30-K32 PolarHBondContact O-N 3.33Å; D30-K32 PolarHBondContact OD1-N 3.13Å
31N80.9Confident86.1Confident61 Ų6145.5 Ų45.533%0.32625%0.254SS..SBendtrans61.37.9-174.6-57.8-88.5000114.7I28 E270 V271 S273I28-N31 PolarHBondContact O-N 2.87Å; N31-E270 CarbonylContact O-C 3.6Å; N31-E270 VanDerWaalsContact O-CA 3.31Å; N31-E270 WeakPolarHBondContact O-CA 3.23Å; N31-V271 WeakPolarHBondContact CA-O 3.42Å; N31-V271 WeakPolarHBondContact CB-O 3.21Å; N31-V271 PolarHBondContact O-N 3.23Å; N31-V271 PolarHBondContact OD1-O 3.39Å; N31-V271 VanDerWaalsContact OD1-O 3.06Å; N31-S273 PolarHBondContact ND2-OG 3.05Å; N31-S273 WeakPolarHBondContact OD1-CB 3.44Å; N31-S273 PolarHBondContact OD1-N 2.92Å; N31-S273 PolarHBondContact OD1-OG 3.42Å
32K84.3Confident86.2Confident90 Ų9047.8 Ų47.839%0.39127%0.266SS..EExtended strand (participates in β ladder)trans-137103.2-168.1-74.1-175.6179.4-178.10110.2D30 F34 P268D30-K32 PolarHBondContact O-N 3.33Å; D30-K32 PolarHBondContact OD1-N 3.13Å; K32-F34 HydrophobicContact CB-CE2 4.18Å; K32-P268 HydrophobicContact CB-CB 3.9Å; K32-P268 HydrophobicContact CB-CG 4.37Å; K32-P268 HydrophobicContact CD-CB 4.49Å; K32-P268 HydrophobicContact CD-CG 4.06Å; K32-P268 HydrophobicContact CG-CB 4.24Å; K32-P268 HydrophobicContact CG-CG 4.24Å
33V85.4Confident86.4Confident0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-88.6116.3179-174.40000110I27 E37 A38 W256 V269 V271I27-V33 HydrophobicContact CG2-CG1 4.06Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; V33-E37 WeakPolarHBondContact CA-OE2 3.49Å; V33-E37 HydrophobicContact CG1-CB 4.47Å; V33-A38 HydrophobicContact CG1-CB 4.41Å; V33-W256 HydrophobicContact CG1-CB 4.32Å; V33-W256 HydrophobicContact CG1-CD2 4.21Å; V33-W256 HydrophobicContact CG1-CE3 3.88Å; V33-W256 HydrophobicContact CG1-CG 4.43Å; V33-W256 HydrophobicContact CG2-CE3 4.3Å; V33-W256 HydrophobicContact CG2-CZ3 4.33Å; V33-V269 PolarHBondContact N-O 3.23Å; V33-V269 PolarHBondContact O-N 2.91Å; V33-V269 VanDerWaalsContact O-N 3.16Å; V33-V271 HydrophobicContact CG2-CG2 3.84Å
34F87.6Confident86.4Confident73 Ų7351 Ų5132%0.3227%0.272SS..  trans-91.4163.1171.9-65.2-86.7000112.2K32 Y36 E37 A38 P268K32-F34 HydrophobicContact CB-CE2 4.18Å; F34-Y36 VanDerWaalsContact C-N 3.28Å; F34-Y36 HydrophobicContact CB-CD1 3.73Å; F34-Y36 HydrophobicContact CB-CE1 3.3Å; F34-Y36 HydrophobicContact CB-CE2 4.39Å; F34-Y36 HydrophobicContact CB-CG 4.43Å; F34-Y36 HydrophobicContact CD1-CE1 4.24Å; F34-Y36 HydrophobicContact CD2-CE1 4.15Å; F34-Y36 AromaticContact CD2-CZ 3.91Å; F34-Y36 VanDerWaalsContact CD2-OH 3.23Å; F34-Y36 WeakPolarHBondContact CD2-OH 3.26Å; F34-Y36 AromaticContact CG-CE1 3.66Å; F34-Y36 HydrophobicContact CG-CE1 3.66Å; F34-Y36 AromaticContact CG-CZ 3.89Å; F34-Y36 PolarHBondContact O-N 3.44Å; F34-E37 PolarHBondContact N-OE2 3.21Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 3.49Å; F34-A38 PolarHBondContact O-N 2.96Å; F34-A38 VanDerWaalsContact O-N 3.09Å; F34-P268 HydrophobicContact CD1-CB 4.25Å; F34-P268 HydrophobicContact CE1-CB 4Å; F34-P268 HydrophobicContact CE1-CG 4.3Å; F34-P268 HydrophobicContact CZ-CB 4.16Å; F34-P268 HydrophobicContact CZ-CG 4.4Å
35W88.4Confident86.4Confident136 Ų13653.4 Ų53.452%0.51528%0.282SS..Hα-helixtrans-61.4-33.9-178.973.6-90.9000113.4A39 F257 T260W35-A39 VanDerWaalsContact O-CB 3.29Å; W35-A39 WeakPolarHBondContact O-CB 3.26Å; W35-A39 PolarHBondContact O-N 3.28Å; W35-F257 HydrophobicContact CE3-CE2 4.5Å; W35-T260 VanDerWaalsContact CA-OG1 3.31Å; W35-T260 WeakPolarHBondContact CA-OG1 3.22Å
36Y88.3Confident86.5Confident117 Ų11752.5 Ų52.546%0.45929%0.285SS..Hα-helixtrans-73.8-30.4179.663.2-99.2000112F34 C40F34-Y36 VanDerWaalsContact C-N 3.28Å; F34-Y36 HydrophobicContact CB-CD1 3.73Å; F34-Y36 HydrophobicContact CB-CE1 3.3Å; F34-Y36 HydrophobicContact CB-CE2 4.39Å; F34-Y36 HydrophobicContact CB-CG 4.43Å; F34-Y36 HydrophobicContact CD1-CE1 4.24Å; F34-Y36 HydrophobicContact CD2-CE1 4.15Å; F34-Y36 AromaticContact CD2-CZ 3.91Å; F34-Y36 VanDerWaalsContact CD2-OH 3.23Å; F34-Y36 WeakPolarHBondContact CD2-OH 3.26Å; F34-Y36 AromaticContact CG-CE1 3.66Å; F34-Y36 HydrophobicContact CG-CE1 3.66Å; F34-Y36 AromaticContact CG-CZ 3.89Å; F34-Y36 PolarHBondContact O-N 3.44Å; Y36-C40 WeakPolarHBondContact O-CB 3.41Å; Y36-C40 PolarHBondContact O-N 2.86Å
37E88.6Confident86.6Confident26 Ų2653.9 Ų53.912%0.12128%0.283CS..Hα-helixtrans-69.8-44.7172.6-80.4147.6-161.400110.9I27 V33 F34 A39 C40 L41I27-E37 HydrophobicContact CD1-CB 4.27Å; I27-E37 WeakPolarHBondContact CD1-O 3.27Å; I27-E37 HydrophobicContact CG1-CB 4.08Å; I27-E37 HydrophobicContact CG1-CG 4.19Å; I27-E37 HydrophobicContact CG2-CB 3.87Å; I27-E37 HydrophobicContact CG2-CG 4.39Å; V33-E37 WeakPolarHBondContact CA-OE2 3.49Å; V33-E37 HydrophobicContact CG1-CB 4.47Å; F34-E37 PolarHBondContact N-OE2 3.21Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 3.49Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.84Å; E37-C40 VanDerWaalsContact O-CB 3.26Å; E37-C40 WeakPolarHBondContact O-CB 3.07Å; E37-C40 PolarHBondContact O-N 3.09Å; E37-C40 VanDerWaalsContact O-N 3.12Å; E37-L41 PolarHBondContact O-N 3.41Å; E37-L41 VanDerWaalsContact O-N 3.16Å
38A87.3Confident86.6Confident0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-62.6-39.7173.700000111.8V33 F34 C40 L41 L42 W256 F257V33-A38 HydrophobicContact CG1-CB 4.41Å; F34-A38 PolarHBondContact O-N 2.96Å; F34-A38 VanDerWaalsContact O-N 3.09Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 2.93Å; A38-L41 PolarHBondContact O-N 3.12Å; A38-L42 PolarHBondContact O-N 3.07Å; A38-W256 HydrophobicContact CB-CB 3.9Å; A38-F257 HydrophobicContact CB-CB 3.86Å; A38-F257 HydrophobicContact CB-CD2 4.46Å
39A89.4Confident86.6Confident29 Ų2957.6 Ų57.624%0.2430%0.3CS..Hα-helixtrans-64.8-33.8173.400000112.5W35 E37 L42 L43 F257W35-A39 VanDerWaalsContact O-CB 3.29Å; W35-A39 WeakPolarHBondContact O-CB 3.26Å; W35-A39 PolarHBondContact O-N 3.28Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 2.84Å; A39-L42 PolarHBondContact O-N 3.41Å; A39-L43 PolarHBondContact O-N 3.29Å; A39-F257 HydrophobicContact CB-CD2 3.99Å; A39-F257 HydrophobicContact CB-CE2 3.91Å
40C89.4Confident86.7Confident66 Ų6657.4 Ų57.445%0.44630%0.296SS..Hα-helixtrans-61.8-42.3174.3-170.90000111.3Y36 E37 A38 L42 L43 V44Y36-C40 WeakPolarHBondContact O-CB 3.41Å; Y36-C40 PolarHBondContact O-N 2.86Å; E37-C40 VanDerWaalsContact O-CB 3.26Å; E37-C40 WeakPolarHBondContact O-CB 3.07Å; E37-C40 PolarHBondContact O-N 3.09Å; E37-C40 VanDerWaalsContact O-N 3.12Å; A38-C40 VanDerWaalsContact C-N 3.31Å; A38-C40 PolarHBondContact O-N 2.93Å; C40-L42 VanDerWaalsContact C-N 3.34Å; C40-L42 PolarHBondContact O-N 2.74Å; C40-L43 WeakPolarHBondContact O-CB 3.49Å; C40-L43 PolarHBondContact O-N 2.89Å; C40-L43 VanDerWaalsContact O-N 3.13Å; C40-V44 WeakPolarHBondContact O-CG2 3.48Å; C40-V44 PolarHBondContact O-N 2.89Å
41L87.5Confident86.6Confident0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-60.9-41.8174.2-71.9170.8000112.3A23 V24 I27 E37 A38 L43 V44 Y45 W256A23-L41 HydrophobicContact CB-CD2 4.16Å; V24-L41 HydrophobicContact CG2-CD1 4.19Å; V24-L41 HydrophobicContact CG2-CD2 3.56Å; I27-L41 HydrophobicContact CD1-CD1 3.74Å; I27-L41 HydrophobicContact CD1-CD2 3.74Å; I27-L41 HydrophobicContact CD1-CG 3.42Å; I27-L41 VanDerWaalsContact CD1-CG 3.42Å; E37-L41 PolarHBondContact O-N 3.41Å; E37-L41 VanDerWaalsContact O-N 3.16Å; A38-L41 PolarHBondContact O-N 3.12Å; L41-L43 VanDerWaalsContact C-N 3.31Å; L41-L43 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 3Å; L41-Y45 PolarHBondContact O-N 3.42Å; L41-W256 HydrophobicContact CD1-CE3 3.91Å; L41-W256 HydrophobicContact CD1-CZ3 3.82Å
42L89.6Confident86.3Confident48 Ų4857.8 Ų57.825%0.25130%0.299SS..Hα-helixtrans-65-34.3174.7-66.3178.1000112.5A38 A39 C40 Y45 G46 L254 F257A38-L42 PolarHBondContact O-N 3.07Å; A39-L42 PolarHBondContact O-N 3.41Å; C40-L42 VanDerWaalsContact C-N 3.34Å; C40-L42 PolarHBondContact O-N 2.74Å; L42-Y45 WeakPolarHBondContact O-CB 3.32Å; L42-Y45 PolarHBondContact O-N 3.07Å; L42-G46 PolarHBondContact O-N 2.86Å; L42-L254 HydrophobicContact CD2-CB 4.02Å; L42-F257 HydrophobicContact CD1-CB 3.79Å; L42-F257 HydrophobicContact CD1-CD1 3.81Å; L42-F257 HydrophobicContact CD1-CD2 4.24Å; L42-F257 HydrophobicContact CD1-CE1 4.48Å; L42-F257 HydrophobicContact CD1-CG 3.67Å
43L90.2Very high86Confident114 Ų11457.9 Ų57.960%0.59731%0.31SS*.Hα-helixtrans-66.4-47.6174.1-171.1163.5000110.7A39 C40 L41 Y45 G46 V47A39-L43 PolarHBondContact O-N 3.29Å; C40-L43 WeakPolarHBondContact O-CB 3.49Å; C40-L43 PolarHBondContact O-N 2.89Å; C40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 VanDerWaalsContact C-N 3.31Å; L41-L43 PolarHBondContact O-N 2.88Å; L43-Y45 PolarHBondContact O-N 3.38Å; L43-G46 PolarHBondContact O-N 2.73Å; L43-V47 HydrophobicContact CD2-CG2 3.76Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.95Å
44V88Confident85.7Confident34 Ų3463.4 Ų63.421%0.20633%0.334CS..Hα-helixtrans-56.7-39.6175.4175.20000110.3C40 L41 V47 Y48 L250C40-V44 WeakPolarHBondContact O-CG2 3.48Å; C40-V44 PolarHBondContact O-N 2.89Å; L41-V44 PolarHBondContact O-N 3Å; V44-V47 PolarHBondContact O-N 2.95Å; V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.25Å; V44-L250 HydrophobicContact CB-CD2 4.12Å; V44-L250 HydrophobicContact CG1-CD2 3.75Å
45Y86.9Confident85.1Confident54 Ų5461.4 Ų61.421%0.21233%0.327CS..Hα-helixtrans-60.9-46.9172.8-174.3-117.7000113.5L41 L42 L43 V47 Y48 I49 F247 L250L41-Y45 PolarHBondContact O-N 3.42Å; L42-Y45 WeakPolarHBondContact O-CB 3.32Å; L42-Y45 PolarHBondContact O-N 3.07Å; L43-Y45 PolarHBondContact O-N 3.38Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.13Å; Y45-Y48 WeakPolarHBondContact O-CB 3.31Å; Y45-Y48 PolarHBondContact O-N 2.91Å; Y45-I49 HydrophobicContact CD1-CD1 3.99Å; Y45-I49 HydrophobicContact CE1-CD1 3.42Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.42Å; Y45-I49 HydrophobicContact CE1-CG1 4.29Å; Y45-I49 HydrophobicContact CE2-CD1 4.26Å; Y45-I49 HydrophobicContact CE2-CG1 4.28Å; Y45-I49 PolarHBondContact O-N 3.12Å; Y45-F247 AromaticContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CE2 4.12Å; Y45-F247 AromaticContact CZ-CD2 3.65Å; Y45-F247 AromaticContact CZ-CE2 3.7Å; Y45-F247 WeakPolarHBondContact OH-CD2 3.46Å; Y45-F247 WeakPolarHBondContact OH-CE2 3.49Å; Y45-L250 HydrophobicContact CD2-CB 3.51Å; Y45-L250 HydrophobicContact CD2-CD1 3.72Å; Y45-L250 HydrophobicContact CD2-CG 4.21Å; Y45-L250 HydrophobicContact CE2-CB 4.45Å; Y45-L250 HydrophobicContact CG-CB 4Å
46G87.6Confident83.8Confident31 Ų3159.3 Ų59.332%0.3233%0.325SS..Hα-helixtrans-59.3-43.3174.600000112.4L42 L43 Y48 I49 V50L42-G46 PolarHBondContact O-N 2.86Å; L43-G46 PolarHBondContact O-N 2.73Å; G46-Y48 VanDerWaalsContact C-N 3.34Å; G46-Y48 PolarHBondContact O-N 3.33Å; G46-I49 PolarHBondContact O-N 3.36Å; G46-V50 VanDerWaalsContact O-CG2 3.29Å; G46-V50 WeakPolarHBondContact O-CG2 3.41Å; G46-V50 PolarHBondContact O-N 3.43Å
47V86.6Confident82.9Confident79 Ų7962.6 Ų62.648%0.47934%0.337SS..Hα-helixtrans-62.7-41.6175.2173.10000111L43 V44 Y45 V50 V51L43-V47 HydrophobicContact CD2-CG2 3.76Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.95Å; V44-V47 PolarHBondContact O-N 2.95Å; Y45-V47 VanDerWaalsContact C-N 3.33Å; Y45-V47 PolarHBondContact O-N 3.13Å; V47-V50 WeakPolarHBondContact O-CB 3.33Å; V47-V50 PolarHBondContact O-N 3.09Å; V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 3.11Å
48Y84.4Confident82Confident30 Ų3064 Ų6412%0.11834%0.344CS..Hα-helixtrans-60.1-46.2175.8173.8-108.5000112.1A16 V44 Y45 G46 V50 V51 L52 V246 L250A16-Y48 HydrophobicContact CB-CD2 3.7Å; A16-Y48 HydrophobicContact CB-CE2 3.6Å; V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.25Å; Y45-Y48 WeakPolarHBondContact O-CB 3.31Å; Y45-Y48 PolarHBondContact O-N 2.91Å; G46-Y48 VanDerWaalsContact C-N 3.34Å; G46-Y48 PolarHBondContact O-N 3.33Å; Y48-V50 VanDerWaalsContact C-N 3.32Å; Y48-V50 PolarHBondContact O-N 3.41Å; Y48-V51 PolarHBondContact O-N 2.91Å; Y48-L52 HydrophobicContact CE1-CD1 4.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.34Å; Y48-L52 PolarHBondContact O-N 3.27Å; Y48-V246 HydrophobicContact CD1-CG1 4.24Å; Y48-V246 HydrophobicContact CD2-CG1 4.23Å; Y48-V246 HydrophobicContact CE1-CG1 3.99Å; Y48-V246 HydrophobicContact CE2-CG1 3.98Å; Y48-V246 HydrophobicContact CG-CG1 4.35Å; Y48-L250 HydrophobicContact CD1-CD1 4.25Å; Y48-L250 HydrophobicContact CG-CD1 4.29Å
49I83.3Confident81Confident69 Ų6965.3 Ų65.335%0.35435%0.353SS..Hα-helixtrans-58.6-46174.4-67.3166.8000110.5Y45 G46 V51 L52 C53Y45-I49 HydrophobicContact CD1-CD1 3.99Å; Y45-I49 HydrophobicContact CE1-CD1 3.42Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.42Å; Y45-I49 HydrophobicContact CE1-CG1 4.29Å; Y45-I49 HydrophobicContact CE2-CD1 4.26Å; Y45-I49 HydrophobicContact CE2-CG1 4.28Å; Y45-I49 PolarHBondContact O-N 3.12Å; G46-I49 PolarHBondContact O-N 3.36Å; I49-V51 VanDerWaalsContact C-N 3.35Å; I49-V51 PolarHBondContact O-N 2.88Å; I49-L52 WeakPolarHBondContact O-CB 3.4Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.15Å; I49-C53 PolarHBondContact O-N 2.94Å; I49-C53 PolarHBondContact O-SG 3.44Å; I49-C53 VanDerWaalsContact O-SG 3.33Å
50V84.5Confident79.9Confident77 Ų7769.7 Ų69.747%0.46737%0.369SS..Hα-helixtrans-59.3-47.2178.8168.40000110.6G46 V47 Y48 L52 C53 F54G46-V50 VanDerWaalsContact O-CG2 3.29Å; G46-V50 WeakPolarHBondContact O-CG2 3.41Å; G46-V50 PolarHBondContact O-N 3.43Å; V47-V50 WeakPolarHBondContact O-CB 3.33Å; V47-V50 PolarHBondContact O-N 3.09Å; Y48-V50 VanDerWaalsContact C-N 3.32Å; Y48-V50 PolarHBondContact O-N 3.41Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.02Å; V50-C53 PolarHBondContact O-N 3.28Å; V50-F54 HydrophobicContact CG1-CD2 3.72Å; V50-F54 HydrophobicContact CG1-CE2 3.81Å; V50-F54 WeakPolarHBondContact O-CD2 3.4Å; V50-F54 PolarHBondContact O-N 2.94Å
51V79.9Confident78.8Confident55 Ų5572.8 Ų72.833%0.33338%0.375SS..Hα-helixtrans-58.2-41.4176169.20000111V47 Y48 I49 F54 D55 I58V47-V51 HydrophobicContact CG1-CG2 4.34Å; V47-V51 VanDerWaalsContact O-CG2 3.31Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 3.11Å; Y48-V51 PolarHBondContact O-N 2.91Å; I49-V51 VanDerWaalsContact C-N 3.35Å; I49-V51 PolarHBondContact O-N 2.88Å; V51-F54 CarbonylContact O-C 3.53Å; V51-F54 PolarHBondContact O-N 3.31Å; V51-D55 PolarHBondContact O-N 3.28Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å
52L76Confident77.8Confident85 Ų8574.1 Ų74.145%0.44538%0.383SS..Hα-helixtrans-67.9-39.6178.1-164.8145.9000112.1Y48 I49 V50 F54 D55Y48-L52 HydrophobicContact CE1-CD1 4.29Å; Y48-L52 WeakPolarHBondContact O-CB 3.34Å; Y48-L52 PolarHBondContact O-N 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.4Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.15Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.02Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 3.42Å; L52-D55 VanDerWaalsContact O-CB 3.27Å; L52-D55 WeakPolarHBondContact O-CB 3.36Å; L52-D55 PolarHBondContact O-N 2.9Å
53C77.8Confident76.6Confident92 Ų9275.9 Ų75.962%0.62239%0.393SS*.Hα-helixtrans-63.2-34.9174.4-710000112.6I49 V50I49-C53 PolarHBondContact O-N 2.94Å; I49-C53 PolarHBondContact O-SG 3.44Å; I49-C53 VanDerWaalsContact O-SG 3.33Å; V50-C53 PolarHBondContact O-N 3.28Å
54F78.5Confident75.2Confident117 Ų11780.8 Ų80.851%0.51340%0.403SS..THydrogen-bonded Turntrans-93.25.7178.9-69.3-67.6000113.8V50 V51 L52 L56 R57 I58V50-F54 HydrophobicContact CG1-CD2 3.72Å; V50-F54 HydrophobicContact CG1-CE2 3.81Å; V50-F54 WeakPolarHBondContact O-CD2 3.4Å; V50-F54 PolarHBondContact O-N 2.94Å; V51-F54 CarbonylContact O-C 3.53Å; V51-F54 PolarHBondContact O-N 3.31Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 3.42Å; F54-L56 PolarHBondContact O-N 3.47Å; F54-L56 VanDerWaalsContact O-N 3.12Å; F54-R57 WeakPolarHBondContact O-CB 3.18Å; F54-R57 PolarHBondContact O-N 3.23Å; F54-I58 HydrophobicContact CB-CD1 3.99Å; F54-I58 HydrophobicContact CB-CG1 4.29Å; F54-I58 WeakPolarHBondContact O-CG1 3.49Å; F54-I58 PolarHBondContact O-N 3.08Å
55D74.1Confident74.1Confident30 Ų3086.6 Ų86.616%0.1643%0.425CS..Hα-helixtrans-53.9-39.1-173.1-179.866.1000113.3R12 V51 L52 R57 I58 S59R12-D55 VanDerWaalsContact CD-OD1 3.29Å; R12-D55 WeakPolarHBondContact CD-OD1 3.28Å; R12-D55 IonicContact CZ-OD1 3.69Å; R12-D55 IonicContact NE-OD1 3.89Å; R12-D55 IonicContact NH1-OD1 2.72Å; R12-D55 PolarHBondContact NH1-OD1 2.96Å; R12-D55 IonicContact NH1-OD2 2.87Å; R12-D55 PolarHBondContact NH1-OD2 3.39Å; V51-D55 PolarHBondContact O-N 3.28Å; L52-D55 VanDerWaalsContact O-CB 3.27Å; L52-D55 WeakPolarHBondContact O-CB 3.36Å; L52-D55 PolarHBondContact O-N 2.9Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 2.95Å; D55-I58 PolarHBondContact O-N 3.48Å; D55-S59 VanDerWaalsContact O-CB 3.24Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.47Å
56L62.8Low72.7Confident92 Ų9287.7 Ų87.748%0.48244%0.435SS..Hα-helixtrans-59.5-41.5177.3-65.8174.5000112.1F54 E60F54-L56 PolarHBondContact O-N 3.47Å; F54-L56 VanDerWaalsContact O-N 3.12Å; L56-E60 PolarHBondContact O-N 2.96Å
57R68.1Low71.1Confident187 Ų18791 Ų9171%0.70645%0.453SS*.Hα-helixtrans-74.1-37.9178.8-68.9-83.9-106.4-160.4-8.5111.4F54 D55 F61F54-R57 WeakPolarHBondContact O-CB 3.18Å; F54-R57 PolarHBondContact O-N 3.23Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 2.95Å; R57-F61 WeakPolarHBondContact O-CB 3.32Å; R57-F61 PolarHBondContact O-N 2.71Å; R57-F61 VanDerWaalsContact O-N 3.09Å
58I69.4Low69.3Low54 Ų5492.9 Ų92.928%0.27747%0.467SS..Hα-helixtrans-68.8-42.8179.4-61.2167.3000110W8 V51 F54 D55 E60 F61 V62W8-I58 HydrophobicContact CZ2-CG2 3.93Å; V51-I58 HydrophobicContact CG1-CD1 4.13Å; F54-I58 HydrophobicContact CB-CD1 3.99Å; F54-I58 HydrophobicContact CB-CG1 4.29Å; F54-I58 WeakPolarHBondContact O-CG1 3.49Å; F54-I58 PolarHBondContact O-N 3.08Å; D55-I58 PolarHBondContact O-N 3.48Å; I58-E60 PolarHBondContact O-N 3.39Å; I58-F61 PolarHBondContact O-N 3.27Å; I58-V62 HydrophobicContact CG2-CG2 4.03Å; I58-V62 WeakPolarHBondContact O-CB 3.48Å; I58-V62 VanDerWaalsContact O-CG2 3.25Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.29Å
59S66.6Low67.3Low28 Ų2896.7 Ų96.720%0.19650%0.496CS..Hα-helixtrans-57.5-48.9177-176.30000111.5D55 F61 V62 L63D55-S59 VanDerWaalsContact O-CB 3.24Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.47Å; S59-F61 PolarHBondContact O-N 2.9Å; S59-V62 PolarHBondContact O-N 2.67Å; S59-L63 VanDerWaalsContact O-CB 3.26Å; S59-L63 WeakPolarHBondContact O-CB 3.19Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.05Å; S59-L63 PolarHBondContact O-N 2.91Å
60E66.6Low65.5Low122 Ų12295.8 Ų95.857%0.5750%0.496SS*.Hα-helixtrans-62.8-40.6176.4-73.7-176.7176.900113L56 I58 R64L56-E60 PolarHBondContact O-N 2.96Å; I58-E60 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact O-CB 3.37Å; E60-R64 WeakPolarHBondContact O-CG 3.38Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 VanDerWaalsContact O-N 3.13Å
61F65.6Low63.6Low131 Ų13199 Ų9958%0.57552%0.516SS*.Hα-helixtrans-67.4-41.7179-173.4-97.4000112R57 I58 S59 R64 K65R57-F61 WeakPolarHBondContact O-CB 3.32Å; R57-F61 PolarHBondContact O-N 2.71Å; R57-F61 VanDerWaalsContact O-N 3.09Å; I58-F61 PolarHBondContact O-N 3.27Å; S59-F61 PolarHBondContact O-N 2.9Å; F61-R64 PolarHBondContact O-N 3.47Å; F61-K65 HydrophobicContact CE1-CD 3.98Å; F61-K65 HydrophobicContact CZ-CD 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.06Å; F61-K65 PolarHBondContact O-N 3.31Å; F61-K65 VanDerWaalsContact O-N 3.12Å
62V66.9Low62Low27 Ų2798.4 Ų98.416%0.16451%0.513CS..Hα-helixtrans-74.5-40-179.5178.60000110.9W8 I58 S59 R64 K65 L66W8-V62 HydrophobicContact CE3-CG1 3.95Å; W8-V62 HydrophobicContact CH2-CB 3.59Å; W8-V62 HydrophobicContact CH2-CG1 3.4Å; W8-V62 HydrophobicContact CH2-CG2 3.52Å; W8-V62 HydrophobicContact CZ2-CB 3.93Å; W8-V62 HydrophobicContact CZ2-CG1 4.2Å; W8-V62 HydrophobicContact CZ2-CG2 3.86Å; W8-V62 HydrophobicContact CZ3-CB 3.91Å; W8-V62 HydrophobicContact CZ3-CG1 3.24Å; W8-V62 HydrophobicContact CZ3-CG2 4.28Å; I58-V62 HydrophobicContact CG2-CG2 4.03Å; I58-V62 WeakPolarHBondContact O-CB 3.48Å; I58-V62 VanDerWaalsContact O-CG2 3.25Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.29Å; S59-V62 PolarHBondContact O-N 2.67Å; V62-R64 PolarHBondContact O-N 3.46Å; V62-K65 PolarHBondContact O-N 3.42Å; V62-L66 HydrophobicContact CG1-CB 4.09Å; V62-L66 HydrophobicContact CG1-CD1 4.37Å; V62-L66 HydrophobicContact CG1-CD2 4.34Å; V62-L66 VanDerWaalsContact O-CB 3.26Å; V62-L66 WeakPolarHBondContact O-CB 3.45Å; V62-L66 PolarHBondContact O-N 2.75Å
63L63.9Low60.6Low86 Ų8696.8 Ų96.845%0.4551%0.505SS..Hα-helixtrans-57.1-35.7171.2-79.7161.2000112.3S59 L73S59-L63 VanDerWaalsContact O-CB 3.26Å; S59-L63 WeakPolarHBondContact O-CB 3.19Å; S59-L63 WeakPolarHBondContact O-CD1 3.48Å; S59-L63 VanDerWaalsContact O-CG 3.29Å; S59-L63 WeakPolarHBondContact O-CG 3.05Å; S59-L63 PolarHBondContact O-N 2.91Å; L63-L73 HydrophobicContact CD2-CD1 4.26Å; L63-L73 HydrophobicContact CD2-CD2 3.73Å; L63-L73 HydrophobicContact CD2-CG 3.85Å
64R62.3Low58.6Low216 Ų21695.2 Ų95.282%0.81551%0.505SS*.Hα-helixtrans-72.8-31.6175-80.9-178.8175.5-177.31.5114E60 F61 V62E60-R64 WeakPolarHBondContact O-CB 3.37Å; E60-R64 WeakPolarHBondContact O-CG 3.38Å; E60-R64 PolarHBondContact O-N 3.11Å; E60-R64 VanDerWaalsContact O-N 3.13Å; F61-R64 PolarHBondContact O-N 3.47Å; V62-R64 PolarHBondContact O-N 3.46Å
65K63.9Low56.6Low156 Ų15693.8 Ų93.868%0.67851%0.509SS*.Hα-helixtrans-97.1-27.3-172.3-156.6170.9-175.3-173.70113.5F61 V62 S67F61-K65 HydrophobicContact CE1-CD 3.98Å; F61-K65 HydrophobicContact CZ-CD 4.26Å; F61-K65 WeakPolarHBondContact O-CB 3.06Å; F61-K65 PolarHBondContact O-N 3.31Å; F61-K65 VanDerWaalsContact O-N 3.12Å; V62-K65 PolarHBondContact O-N 3.42Å; K65-S67 VanDerWaalsContact C-N 3.35Å; K65-S67 PolarHBondContact O-N 2.83Å
66L57.4Low54.9Low77 Ų7794.8 Ų94.840%0.40353%0.527SS..  trans-94.927.6-175.6-131.681.9000113.3V62V62-L66 HydrophobicContact CG1-CB 4.09Å; V62-L66 HydrophobicContact CG1-CD1 4.37Å; V62-L66 HydrophobicContact CG1-CD2 4.34Å; V62-L66 VanDerWaalsContact O-CB 3.26Å; V62-L66 WeakPolarHBondContact O-CB 3.45Å; V62-L66 PolarHBondContact O-N 2.75Å
67S53.8Low53.5Low102 Ų10295.7 Ų95.771%0.71354%0.541SS*.THydrogen-bonded Turntrans-71-14.1-174.985.90000117.3K65K65-S67 VanDerWaalsContact C-N 3.35Å; K65-S67 PolarHBondContact O-N 2.83Å
68P49.2Very low51.7Low118 Ų11890.8 Ų90.877%0.76654%0.54SS*.THydrogen-bonded Turntrans-103.9-4.1-17934.9-28.9000116.4
69C42.5Very low50Low109 Ų10994.5 Ų94.574%0.73656%0.557SS**SBendtrans-122.63.6-166.6-148.80000117.3
70C45.4Very low48.2Very low51 Ų51103 Ų10335%0.34559%0.59SS.*  trans-135.697.1-179-77.60000112.2C72 L73C70-C72 PolarHBondContact O-N 2.83Å; C70-C72 VanDerWaalsContact O-N 3.08Å; C70-L73 HydrophobicContact CB-CB 4.17Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.03Å
71T44.2Very low46.3Very low145 Ų145108.1 Ų108.189%0.8960%0.604SS**THydrogen-bonded Turntrans-59.7-15.6171.1-26.40000112.7
72C46.8Very low44.5Very low41 Ų41110.4 Ų110.428%0.27762%0.617SS.*THydrogen-bonded Turntrans-80.3-14.5174.342.10000114.5C70C70-C72 PolarHBondContact O-N 2.83Å; C70-C72 VanDerWaalsContact O-N 3.08Å
73L46.1Very low42.6Very low51 Ų51115.2 Ų115.227%0.26765%0.646SS.*SBendtrans-82.6-19.4-177.7-14870000113L63 C70L63-L73 HydrophobicContact CD2-CD1 4.26Å; L63-L73 HydrophobicContact CD2-CD2 3.73Å; L63-L73 HydrophobicContact CD2-CG 3.85Å; C70-L73 HydrophobicContact CB-CB 4.17Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.03Å
74G37.6Very low40.7Very low60 Ų60120 Ų12062%0.61967%0.666SS**SBendtrans-95.1-11-17400000116.3
75S35.9Very low39Very low86 Ų86115 Ų11560%0.60166%0.662SS**SBendtrans-100.4-2.4-169-1470000115.1
76G37.2Very low37.3Very low52 Ų52116 Ų11654%0.53667%0.673SS.*SBendtrans-97.7-19.7177.300000115.4
77S33.5Very low35.9Very low110 Ų110121.2 Ų121.277%0.76970%0.698SS**SBendtrans-100.9-6.6-171.6-147.70000114.2
78A31.6Very low34.6Very low85 Ų85119.8 Ų119.870%0.70270%0.7SS**SBendtrans-86.7-12.1176.900000113.7
79E34.1Very low33.4Very low132 Ų132126.2 Ų126.262%0.61771%0.709SS**THydrogen-bonded Turntrans-111.142.9-176.7-151.8172.114200111.7R4R4-E79 IonicContact CZ-OE1 3.99Å; R4-E79 IonicContact CZ-OE2 3.14Å; R4-E79 IonicContact NH1-OE2 2.73Å; R4-E79 PolarHBondContact NH1-OE2 3.36Å; R4-E79 IonicContact NH2-OE1 3.31Å; R4-E79 PolarHBondContact NH2-OE1 2.84Å; R4-E79 IonicContact NH2-OE2 2.77Å; R4-E79 PolarHBondContact NH2-OE2 3.4Å
80K28.9Very low32.5Very low205 Ų205128.4 Ų128.489%0.89171%0.713SS**THydrogen-bonded Turntrans-142.128.3159.1-136.1177.3-171.3179.20112.4
81R25.1Very low31.7Very low230 Ų230133.4 Ų133.487%0.86874%0.737SS**  trans-122.137.4171.8-142.1-178.8-165-168.14.3110.8T83R81-T83 PolarHBondContact O-N 2.95Å
82E27.4Very low30.7Very low180 Ų180132.7 Ų132.784%0.84173%0.732SS**  trans-84.5101.9152.9-74.6-167158.100107Q84E82-Q84 PolarHBondContact O-N 3.31Å
83T27.4Very low29.7Very low127 Ų127136 Ų13678%0.77976%0.756SS**  trans-20.4104140.730.90000111.3R81 P85R81-T83 PolarHBondContact O-N 2.95Å; T83-P85 WeakPolarHBondContact O-CD 3.24Å
84Q24Very low28.7Very low186 Ų186141.6 Ų141.687%0.86979%0.785SS**  trans-61.8114.3147.1-88.8180-19.300105.7E82 L86E82-Q84 PolarHBondContact O-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.47Å
85P26.5Very low28Very low113 Ų113150 Ų15073%0.73480%0.798SS**  trans-63.1127.3159.5-4.122.1000105.6T83 M87T83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-M87 PolarHBondContact O-N 2.98Å
86L28.3Very low27.6Very low175 Ų175153 Ų15392%0.91681%0.812SS**  trans-35.6101.9166.3-83.9139.6000110.5Q84 G88Q84-L86 PolarHBondContact O-N 3.47Å; L86-G88 PolarHBondContact O-N 3.25Å; L86-G88 VanDerWaalsContact O-N 3.16Å
87M28.7Very low27Very low188 Ų188162.1 Ų162.193%0.92683%0.83SS**  trans-72.6107.7163.1-141.5-178.9-173.400105.2P85 W89P85-M87 PolarHBondContact O-N 2.98Å; M87-W89 PolarHBondContact O-N 3.47Å
88G25.2Very low26.6Very low72 Ų72160.1 Ų160.174%0.74283%0.827SS**  trans-53.6112.7-179.500000110.4L86 N90L86-G88 PolarHBondContact O-N 3.25Å; L86-G88 VanDerWaalsContact O-N 3.16Å; G88-N90 PolarHBondContact O-N 2.95Å; G88-N90 VanDerWaalsContact O-N 3.13Å
89W23.9Very low26.3Very low253 Ų253167.9 Ų167.996%0.95884%0.838SS**  trans-76.999.4170.8-148.533.7000106.7M87 D91M87-W89 PolarHBondContact O-N 3.47Å; W89-D91 PolarHBondContact O-N 2.86Å
90N25.1Very low25.8Very low155 Ų155166.7 Ų166.783%0.82985%0.845SS**  trans-66.5121.1176-127.21.1000108.2G88 T92G88-N90 PolarHBondContact O-N 2.95Å; G88-N90 VanDerWaalsContact O-N 3.13Å; N90-T92 PolarHBondContact O-N 3.32Å
91D27.4Very low25.8Very low156 Ų156168.1 Ų168.183%0.83485%0.845SS**  trans-54116.1172.4-82.1-52.6000110.8W89W89-D91 PolarHBondContact O-N 2.86Å
92T24.7Very low25.9Very low130 Ų130163.5 Ų163.580%0.79884%0.842SS**  trans-163116.3144.25.10000112N90N90-T92 PolarHBondContact O-N 3.32Å
93S24.8Very low25.8Very low111 Ų111162.6 Ų162.678%0.77684%0.843SS**  trans70.7126166.278.20000115.3
94L25.4Very low26Very low167 Ų167162 Ų16287%0.87485%0.845SS**  cis-159.3138.733.1-128.5141.7000109.8
95R23.4Very low26.2Very low236 Ų236156.5 Ų156.589%0.89184%0.838SS**  trans-56.4130.5178-66.5168.6172.6172.8-2.3112.5
96V27.4Very low26.5Very low149 Ų149158.8 Ų158.890%0.90384%0.842SS**  trans-132.9129.1137.9178.70000108.7
97R24.5Very low26.4Very low244 Ų244158.9 Ų158.992%0.92184%0.835SS**  trans-101.5127-165.9175.3162.2-179.8143-2.2110.9
98G24.7Very low26.5Very low68 Ų68158.1 Ų158.170%0.70183%0.829SS**  95112.4127.800000120.2
99R24.7Very low26.6Very low248 Ų248160.3 Ų160.394%0.93682%0.824SS**  179.9107.6113.6-110173.7163.7159.3-5.5110.1
100S23.2Very low27Very low108 Ų108155.2 Ų155.276%0.75582%0.816SS**  55.3100.2106.9-1630000114.8
101R29.2Very low27.2Very low234 Ų234150.5 Ų150.588%0.88380%0.795SS**  57.3105.890.2-102.3-172.9175.6160.8-0.2115.2
102T28.5Very low27.4Very low134 Ų134145.2 Ų145.282%0.82278%0.777SS**  -177107.9127.645.30000106.6
103D25.7Very low27.7Very low160 Ų160147.3 Ų147.386%0.85677%0.771SS**  77.3101.982.3-151.720.8000113.5
104S31.7Very low27.8Very low116 Ų116145.6 Ų145.681%0.81176%0.759SS**  trans165119.6143580000109.5
105G28Very low28.2Very low70 Ų70143.3 Ų143.372%0.72274%0.744SS**  trans-86.2-161.3-166.800000117.2
106I31.3Very low28.7Very low161 Ų161137.8 Ų137.883%0.82673%0.731SS**  trans74.286.6166.8-52.4171.1000113.5
107F27.2Very low28.8Very low176 Ų176133.7 Ų133.777%0.77271%0.71SS**  -176.596.6127.4-112.2-86.4000106.9D109F107-D109 PolarHBondContact O-N 3.23Å
108Q30.7Very low29.4Very low173 Ų173126.6 Ų126.681%0.80869%0.689SS**  trans-92.684.3168.4-169.6159.35.400106.6D110Q108-D110 PolarHBondContact O-N 3.25Å
109D26.6Very low30Very low117 Ų117125.9 Ų125.963%0.62667%0.674SS**  trans-91.487.8168.1-106.8-21.2000108.1F107 S111F107-D109 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact O-N 2.99Å
110D32.5Very low30.5Very low147 Ų147120 Ų12079%0.78666%0.66SS**  trans-69.272.7156.9-79.7-45.1000107.9Q108Q108-D110 PolarHBondContact O-N 3.25Å
111S29.1Very low31Very low56 Ų56120.5 Ų120.539%0.39265%0.65SS.*  trans-109.1143.2175.963.40000109.3D109 Y113D109-S111 PolarHBondContact O-N 2.99Å; S111-Y113 PolarHBondContact O-N 3.45Å
112G31.3Very low31.2Very low44 Ų44109.8 Ų109.845%0.45461%0.613SS.*THydrogen-bonded Turntrans-52.819.1-164.700000120.4S114G112-S114 VanDerWaalsContact C-N 3.27Å
113Y31.1Very low31.5Very low175 Ų175109 Ų10969%0.68660%0.603SS**Hα-helixtrans-67.1-24.4165.1-77.3-82.7000113.1S111 H115 L116 S117S111-Y113 PolarHBondContact O-N 3.45Å; Y113-H115 VanDerWaalsContact C-N 3.3Å; Y113-H115 PolarHBondContact O-N 3.33Å; Y113-L116 PolarHBondContact O-N 3.47Å; Y113-S117 WeakPolarHBondContact O-CA 3.1Å; Y113-S117 WeakPolarHBondContact O-CB 3.43Å; Y113-S117 PolarHBondContact O-N 3.25Å; Y113-S117 PolarHBondContact O-OG 2.89Å
114S28.7Very low31.8Very low74 Ų74106.3 Ų106.352%0.51759%0.589SS.*Hα-helixtrans-60.8-38177.952.40000112.1G112 S117 L118G112-S114 VanDerWaalsContact C-N 3.27Å; S114-S117 VanDerWaalsContact CA-OG 3.29Å; S114-S117 WeakPolarHBondContact CA-OG 3.29Å; S114-S117 PolarHBondContact O-OG 3.41Å; S114-L118 WeakPolarHBondContact O-CB 3.26Å; S114-L118 PolarHBondContact O-N 2.9Å
115H32.2Very low31.8Very low119 Ų119107.6 Ų107.655%0.55158%0.582SS**Hα-helixtrans-74.1-40.6178.2-119.7-101.2000113.5Y113 S117 L118 S119Y113-H115 VanDerWaalsContact C-N 3.3Å; Y113-H115 PolarHBondContact O-N 3.33Å; H115-S117 VanDerWaalsContact C-N 3.33Å; H115-L118 PolarHBondContact O-N 3.45Å; H115-S119 PolarHBondContact O-N 3.23Å
116L33.8Very low32Very low120 Ų120106.6 Ų106.663%0.62856%0.559SS**Hα-helixtrans-66.8-38.9173.5-165.174.3000110.6Y113 L118 S119 L120Y113-L116 PolarHBondContact O-N 3.47Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L116-S119 PolarHBondContact O-N 3.06Å; L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.17Å; L116-L120 PolarHBondContact O-N 3.24Å
117S29.7Very low32Very low64 Ų64104.1 Ų104.145%0.44855%0.552SS.*Hα-helixtrans-69.4-28.9174.977.10000112.3Y113 S114 H115 L120 H121Y113-S117 WeakPolarHBondContact O-CA 3.1Å; Y113-S117 WeakPolarHBondContact O-CB 3.43Å; Y113-S117 PolarHBondContact O-N 3.25Å; Y113-S117 PolarHBondContact O-OG 2.89Å; S114-S117 VanDerWaalsContact CA-OG 3.29Å; S114-S117 WeakPolarHBondContact CA-OG 3.29Å; S114-S117 PolarHBondContact O-OG 3.41Å; H115-S117 VanDerWaalsContact C-N 3.33Å; S117-L120 CarbonylContact O-C 3.6Å; S117-L120 PolarHBondContact O-N 3.44Å; S117-H121 WeakPolarHBondContact O-CA 3.08Å; S117-H121 WeakPolarHBondContact O-CB 3.47Å; S117-H121 PolarHBondContact O-N 3.39Å
118L38.7Very low32.3Very low94 Ų94102.5 Ų102.549%0.49255%0.547SS..Hα-helixtrans-81.3-29.7176.8-160.6147.1000111.7S114 H115 L116 G122S114-L118 WeakPolarHBondContact O-CB 3.26Å; S114-L118 PolarHBondContact O-N 2.9Å; H115-L118 PolarHBondContact O-N 3.45Å; L116-L118 VanDerWaalsContact C-N 3.34Å; L118-G122 PolarHBondContact O-N 3.49Å
119S35.8Very low32.5Very low54 Ų54102.9 Ų102.938%0.37855%0.548SS..Hα-helixtrans-67.9-39.1164.2-169.20000111.3H115 L116 L123H115-S119 PolarHBondContact O-N 3.23Å; L116-S119 PolarHBondContact O-N 3.06Å; S119-L123 PolarHBondContact O-N 3.1Å; S119-L123 VanDerWaalsContact O-N 3.11Å
120L36.2Very low33.2Very low123 Ų123104.2 Ų104.264%0.64455%0.551SS**Hα-helixtrans-72.1-32.8174-15389.9000112.9L116 S117 L123 N124L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.17Å; L116-L120 PolarHBondContact O-N 3.24Å; S117-L120 CarbonylContact O-C 3.6Å; S117-L120 PolarHBondContact O-N 3.44Å; L120-L123 CarbonylContact O-C 3.49Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-N124 WeakPolarHBondContact O-CB 3.38Å; L120-N124 PolarHBondContact O-N 3.27Å
121H33Very low33.4Very low119 Ų119104.7 Ų104.755%0.55154%0.542SS*.Hα-helixtrans-79.7-33.2178.8-150.367.6000110.9S117 L123 N124 E125S117-H121 WeakPolarHBondContact O-CA 3.08Å; S117-H121 WeakPolarHBondContact O-CB 3.47Å; S117-H121 PolarHBondContact O-N 3.39Å; H121-L123 VanDerWaalsContact C-N 3.3Å; H121-N124 CarbonylContact O-C 3.58Å; H121-N124 PolarHBondContact O-N 3.45Å; H121-N124 VanDerWaalsContact O-N 3.09Å; H121-E125 PolarHBondContact O-N 2.99Å
122G32.9Very low34.3Very low10 Ų10105.7 Ų105.710%0.10355%0.549CS..Hα-helixtrans-62.4-36.4165.600000112.2L118 N124 I126L118-G122 PolarHBondContact O-N 3.49Å; G122-N124 VanDerWaalsContact C-N 3.34Å; G122-I126 VanDerWaalsContact O-CD1 3.28Å; G122-I126 WeakPolarHBondContact O-CD1 3.4Å; G122-I126 WeakPolarHBondContact O-CG1 3.24Å; G122-I126 PolarHBondContact O-N 3.06Å
123L34.5Very low35.4Very low117 Ų117107.3 Ų107.361%0.61355%0.549SS*.Hα-helixtrans-72.1-24.1169.4-90.9157.9000114S119 L120 H121S119-L123 PolarHBondContact O-N 3.1Å; S119-L123 VanDerWaalsContact O-N 3.11Å; L120-L123 CarbonylContact O-C 3.49Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 3.49Å; H121-L123 VanDerWaalsContact C-N 3.3Å
124N32.5Very low36.8Very low104 Ų104103.2 Ų103.256%0.55654%0.536SS*.Hα-helixtrans-87.7-20.4179.4-152.856.1000112.6L120 H121 G122L120-N124 WeakPolarHBondContact O-CB 3.38Å; L120-N124 PolarHBondContact O-N 3.27Å; H121-N124 CarbonylContact O-C 3.58Å; H121-N124 PolarHBondContact O-N 3.45Å; H121-N124 VanDerWaalsContact O-N 3.09Å; G122-N124 VanDerWaalsContact C-N 3.34Å
125E32.2Very low38.3Very low143 Ų143100.9 Ų100.967%0.66852%0.521SS*.Hα-helixtrans-82.6-23.2167.2-88-172.7137.900112.6H121 T127H121-E125 PolarHBondContact O-N 2.99Å; E125-T127 PolarHBondContact O-N 3.37Å
126I33.1Very low40Very low49 Ų4998.6 Ų98.625%0.25152%0.515SS..THydrogen-bonded Turntrans-79.991.1169.7-58.4161.6000108G122 M227 E231G122-I126 VanDerWaalsContact O-CD1 3.28Å; G122-I126 WeakPolarHBondContact O-CD1 3.4Å; G122-I126 WeakPolarHBondContact O-CG1 3.24Å; G122-I126 PolarHBondContact O-N 3.06Å; I126-M227 HydrophobicContact CG2-SD 4.21Å; I126-E231 WeakPolarHBondContact CG1-OE1 3.44Å
127T31.4Very low41.9Very low109 Ų10994 Ų9467%0.66949%0.492SS*.THydrogen-bonded Turntrans99.941.7166.4-260000117.8E125E125-T127 PolarHBondContact O-N 3.37Å
128E33.1Very low43.8Very low142 Ų14298.3 Ų98.366%0.66451%0.505SS*.  trans-8514.5150.2-93.9-105.1142.200111.9Q130E128-Q130 PolarHBondContact O-N 2.93Å
129E34.1Very low45.6Very low180 Ų18096.1 Ų96.184%0.84150%0.498SS*.SBendtrans-89.987.4160-145.3178.3-166.600109.6
130Q41.7Very low47.6Very low145 Ų14599.2 Ų99.268%0.67851%0.51SS*.  trans-28.4126170.1-136.597-87.500115E128E128-Q130 PolarHBondContact O-N 2.93Å
131R36.9Very low49.6Very low158 Ų15898.3 Ų98.360%0.59651%0.51SS*.  trans-146.2126137.9-103.5178.1-166.7-163.95.1106.7V133 A135 E138R131-V133 PolarHBondContact O-N 3.47Å; R131-A135 HydrophobicContact CB-CB 3.44Å; R131-A135 VanDerWaalsContact CB-CB 3.44Å; R131-A135 HydrophobicContact CG-CB 3.34Å; R131-E138 IonicContact NH2-OE1 3.18Å; R131-E138 PolarHBondContact NH2-OE1 3.48Å
132S46.8Very low51.5Low77 Ų7799.1 Ų99.154%0.53851%0.512SS..  trans-38.7143168.2490000109.7F134 A135S132-F134 CarbonylContact O-C 3.56Å; S132-F134 PolarHBondContact O-N 2.93Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 2.65Å; S132-A135 PolarHBondContact OG-N 2.9Å
133V55.8Low53.6Low77 Ų77104.1 Ų104.147%0.46753%0.527SS..THydrogen-bonded Turntrans-44.5-26.3171.5177.30000111.8R131 I153 F157R131-V133 PolarHBondContact O-N 3.47Å; V133-I153 HydrophobicContact CG1-CG2 3.11Å; V133-F157 HydrophobicContact CG2-CD2 4.47Å
134F60.5Low55.8Low90 Ų90104.3 Ų104.340%0.39553%0.528SS..THydrogen-bonded Turntrans-96.714.5178.6-58.1-74.5000117S132 V136 W146 L150 I154S132-F134 CarbonylContact O-C 3.56Å; S132-F134 PolarHBondContact O-N 2.93Å; F134-V136 PolarHBondContact O-N 3.46Å; F134-W146 HydrophobicContact CB-CZ2 4.45Å; F134-L150 HydrophobicContact CD1-CD2 4Å; F134-L150 HydrophobicContact CE1-CD2 4.06Å; F134-I154 HydrophobicContact CE1-CG1 3.93Å; F134-I154 HydrophobicContact CZ-CG1 4.28Å
135A59.3Low57.8Low25 Ų25104.2 Ų104.221%0.20753%0.526CS..PPolyproline II helixtrans-76119.3-178.800000111R131 S132 P137R131-A135 HydrophobicContact CB-CB 3.44Å; R131-A135 VanDerWaalsContact CB-CB 3.44Å; R131-A135 HydrophobicContact CG-CB 3.34Å; S132-A135 WeakPolarHBondContact O-CB 3.49Å; S132-A135 PolarHBondContact O-N 2.65Å; S132-A135 PolarHBondContact OG-N 2.9Å; A135-P137 WeakPolarHBondContact O-CD 3.4Å
136V68.3Low60Low70 Ų7099.8 Ų99.842%0.42450%0.504SS..PPolyproline II helixtrans-68.4124.5-177.4-177.70000110.1F134 R143 W146F134-V136 PolarHBondContact O-N 3.46Å; V136-R143 HydrophobicContact CG1-CG 4.23Å; V136-W146 HydrophobicContact CG2-CH2 3.99Å; V136-W146 HydrophobicContact CG2-CZ3 4.09Å
137P72.9Confident62.4Low23 Ų23101.4 Ų101.415%0.14952%0.516CS..PPolyproline II helixtrans-72.3149.8174.728.3-32.8000111.8A135 K142 W146A135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-K142 HydrophobicContact CB-CB 3.73Å; P137-K142 HydrophobicContact CB-CD 4.47Å; P137-K142 HydrophobicContact CG-CB 3.76Å; P137-K142 WeakPolarHBondContact CG-O 3.45Å; P137-W146 HydrophobicContact CG-CB 3.96Å; P137-W146 HydrophobicContact CG-CG 4.33Å
138E70.3Confident64.8Low155 Ų155102.6 Ų102.672%0.72452%0.517SS*.SBendtrans-78.8-25.3-172-73.4168.3-147.300114.1R131R131-E138 IonicContact NH2-OE1 3.18Å; R131-E138 PolarHBondContact NH2-OE1 3.48Å
139S76.4Confident67.1Low48 Ų4898 Ų9834%0.33650%0.501SS..SBendtrans-88.9138179.459.90000112.7V141 K142 R143S139-V141 PolarHBondContact O-N 3.43Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 WeakPolarHBondContact OG-CB 3.47Å; S139-K142 WeakPolarHBondContact OG-CD 3.38Å; S139-K142 WeakPolarHBondContact OG-CG 3.42Å; S139-R143 PolarHBondContact O-N 2.96Å
140D78.4Confident69.3Low119 Ų11991 Ų9164%0.63647%0.469SS*.Hα-helixtrans-56.2-42.3-175-62.2-42.9000113.9R143 I144D140-R143 WeakPolarHBondContact O-CB 3.18Å; D140-R143 PolarHBondContact O-N 2.86Å; D140-I144 WeakPolarHBondContact O-CG1 3.4Å; D140-I144 PolarHBondContact O-N 3.47Å
141V77.3Confident71.4Confident105 Ų10588 Ų8864%0.63646%0.462SS*.Hα-helixtrans-65.2-43.4177.9179.70000111.7S139 R143 I144 L145S139-V141 PolarHBondContact O-N 3.43Å; V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 3.45Å; V141-I144 PolarHBondContact O-N 2.91Å; V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CG 3.32Å; V141-L145 PolarHBondContact O-N 3.43Å
142K73.3Confident73.6Confident136 Ų13683.5 Ų83.559%0.59145%0.452SS*.Hα-helixtrans-67-30.8176.1-62.8-179.4-166.8176.10111.3P137 S139 W146P137-K142 HydrophobicContact CB-CB 3.73Å; P137-K142 HydrophobicContact CB-CD 4.47Å; P137-K142 HydrophobicContact CG-CB 3.76Å; P137-K142 WeakPolarHBondContact CG-O 3.45Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-K142 VanDerWaalsContact O-N 3.09Å; S139-K142 WeakPolarHBondContact OG-CB 3.47Å; S139-K142 WeakPolarHBondContact OG-CD 3.38Å; S139-K142 WeakPolarHBondContact OG-CG 3.42Å; K142-W146 WeakPolarHBondContact O-CB 3.3Å; K142-W146 PolarHBondContact O-N 3.33Å
143R76.5Confident75.1Confident114 Ų11481.9 Ų81.943%0.4344%0.437SS..Hα-helixtrans-67.6-43.7176-170.6179.8-70-177.5-0.6111.2V136 S139 D140 V141 W146 V147V136-R143 HydrophobicContact CG1-CG 4.23Å; S139-R143 PolarHBondContact O-N 2.96Å; D140-R143 WeakPolarHBondContact O-CB 3.18Å; D140-R143 PolarHBondContact O-N 2.86Å; V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 3.45Å; R143-W146 PolarHBondContact O-N 2.95Å; R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.96Å
144I81Confident76.3Confident122 Ų12281.7 Ų81.763%0.62643%0.433SS*.Hα-helixtrans-62-48175.3-64.9163.8000110.8D140 V141 W146 V147 L148D140-I144 WeakPolarHBondContact O-CG1 3.4Å; D140-I144 PolarHBondContact O-N 3.47Å; V141-I144 PolarHBondContact O-N 2.91Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.39Å; I144-V147 PolarHBondContact O-N 3.21Å; I144-L148 PolarHBondContact O-N 3.46Å
145L74.7Confident77.4Confident101 Ų10180.9 Ų80.953%0.52943%0.432SS..Hα-helixtrans-63.2-35.7176.9-71.7172.1000112.7V141 L148 S149V141-L145 HydrophobicContact CG1-CD1 4.23Å; V141-L145 WeakPolarHBondContact O-CG 3.32Å; V141-L145 PolarHBondContact O-N 3.43Å; L145-L148 PolarHBondContact O-N 3.34Å; L145-S149 WeakPolarHBondContact O-CB 3.27Å; L145-S149 PolarHBondContact O-N 2.91Å; L145-S149 PolarHBondContact O-OG 2.92Å
146W78.7Confident78.5Confident50 Ų5081.7 Ų81.719%0.18943%0.432CS..Hα-helixtrans-66.3-42.1174.8-179.581.7000111.7F134 V136 P137 K142 R143 I144 L148 S149 L150F134-W146 HydrophobicContact CB-CZ2 4.45Å; V136-W146 HydrophobicContact CG2-CH2 3.99Å; V136-W146 HydrophobicContact CG2-CZ3 4.09Å; P137-W146 HydrophobicContact CG-CB 3.96Å; P137-W146 HydrophobicContact CG-CG 4.33Å; K142-W146 WeakPolarHBondContact O-CB 3.3Å; K142-W146 PolarHBondContact O-N 3.33Å; R143-W146 PolarHBondContact O-N 2.95Å; I144-W146 VanDerWaalsContact C-N 3.31Å; I144-W146 PolarHBondContact O-N 3.39Å; W146-L148 PolarHBondContact O-N 3.42Å; W146-S149 WeakPolarHBondContact CA-OG 3.27Å; W146-S149 PolarHBondContact O-N 2.86Å; W146-S149 PolarHBondContact O-OG 3.34Å; W146-L150 HydrophobicContact CD2-CG 4.33Å; W146-L150 HydrophobicContact CE3-CD1 4.12Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CH2-CD1 3.78Å; W146-L150 HydrophobicContact CH2-CD2 4.08Å; W146-L150 HydrophobicContact CH2-CG 4.16Å; W146-L150 HydrophobicContact CZ2-CD1 4.28Å; W146-L150 HydrophobicContact CZ2-CD2 3.79Å; W146-L150 HydrophobicContact CZ2-CG 4.15Å; W146-L150 HydrophobicContact CZ3-CD1 3.68Å; W146-L150 HydrophobicContact CZ3-CG 4.24Å; W146-L150 WeakPolarHBondContact O-CG 3.27Å; W146-L150 PolarHBondContact O-N 3.08Å
147V82.9Confident79.1Confident84 Ų8482.7 Ų82.751%0.50943%0.432SS..Hα-helixtrans-64.8-39.5174.6173.10000111.7R143 I144 S149R143-V147 WeakPolarHBondContact O-CG2 3.5Å; R143-V147 PolarHBondContact O-N 2.96Å; I144-V147 PolarHBondContact O-N 3.21Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.97Å
148L82.2Confident79.5Confident133 Ų13387.7 Ų87.770%0.69646%0.456SS*.Hα-helixtrans-65.1-37.2176.8-169.279.8000112.2I144 L145 W146 P151I144-L148 PolarHBondContact O-N 3.46Å; L145-L148 PolarHBondContact O-N 3.34Å; W146-L148 PolarHBondContact O-N 3.42Å; L148-P151 WeakPolarHBondContact O-CD 3.48Å
149S80.8Confident80.1Confident45 Ų4582.8 Ų82.832%0.31544%0.436SS..Hα-helixtrans-85.8-16.2-179530000114.1L145 W146 V147 P151 V152 I153L145-S149 WeakPolarHBondContact O-CB 3.27Å; L145-S149 PolarHBondContact O-N 2.91Å; L145-S149 PolarHBondContact O-OG 2.92Å; W146-S149 WeakPolarHBondContact CA-OG 3.27Å; W146-S149 PolarHBondContact O-N 2.86Å; W146-S149 PolarHBondContact O-OG 3.34Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.97Å; S149-P151 VanDerWaalsContact C-CD 3.49Å; S149-V152 WeakPolarHBondContact O-CB 3.28Å; S149-V152 PolarHBondContact O-N 3.43Å; S149-V152 VanDerWaalsContact O-N 3.09Å; S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.41Å; S149-I153 PolarHBondContact O-N 3.09Å
150L81.1Confident80.3Confident34 Ų3482.7 Ų82.718%0.17843%0.431CS..Hα-helixtrans-46.9-49.1176.8-96.9-179.9000115.4F134 W146 V152 I153 I154F134-L150 HydrophobicContact CD1-CD2 4Å; F134-L150 HydrophobicContact CE1-CD2 4.06Å; W146-L150 HydrophobicContact CD2-CG 4.33Å; W146-L150 HydrophobicContact CE3-CD1 4.12Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CH2-CD1 3.78Å; W146-L150 HydrophobicContact CH2-CD2 4.08Å; W146-L150 HydrophobicContact CH2-CG 4.16Å; W146-L150 HydrophobicContact CZ2-CD1 4.28Å; W146-L150 HydrophobicContact CZ2-CD2 3.79Å; W146-L150 HydrophobicContact CZ2-CG 4.15Å; W146-L150 HydrophobicContact CZ3-CD1 3.68Å; W146-L150 HydrophobicContact CZ3-CG 4.24Å; W146-L150 WeakPolarHBondContact O-CG 3.27Å; W146-L150 PolarHBondContact O-N 3.08Å; L150-V152 VanDerWaalsContact C-N 3.27Å; L150-V152 PolarHBondContact O-N 3.44Å; L150-I153 PolarHBondContact O-N 3.16Å; L150-I154 HydrophobicContact CD2-CD1 4.33Å; L150-I154 WeakPolarHBondContact O-CB 3.43Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.4Å
151P84.9Confident80.2Confident83 Ų8377.7 Ų77.754%0.53941%0.406SS..Hα-helixtrans-60.3-39.6-179.421.9-33.5000112L148 S149 L155L148-P151 WeakPolarHBondContact O-CD 3.48Å; S149-P151 VanDerWaalsContact C-CD 3.49Å; P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.38Å; P151-L155 PolarHBondContact O-N 3.4Å
152V82.8Confident80Confident63 Ų6375.4 Ų75.438%0.38239%0.39SS..Hα-helixtrans-68.7-44.8177-178.80000110.5S149 L150 I154 L155 L156 F186S149-V152 WeakPolarHBondContact O-CB 3.28Å; S149-V152 PolarHBondContact O-N 3.43Å; S149-V152 VanDerWaalsContact O-N 3.09Å; L150-V152 VanDerWaalsContact C-N 3.27Å; L150-V152 PolarHBondContact O-N 3.44Å; V152-I154 PolarHBondContact O-N 3Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-L156 HydrophobicContact CG1-CD1 3.95Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.26Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.28Å; V152-L156 PolarHBondContact O-N 3.1Å; V152-F186 HydrophobicContact CG1-CE1 4.19Å; V152-F186 HydrophobicContact CG1-CZ 3.79Å
153I78.8Confident79.8Confident43 Ų4371.1 Ų71.122%0.22138%0.376CS..Hα-helixtrans-61.6-43.3178.6-68.8167.8000111.3V133 S149 L150 L156 F157V133-I153 HydrophobicContact CG1-CG2 3.11Å; S149-I153 VanDerWaalsContact O-CG1 3.3Å; S149-I153 WeakPolarHBondContact O-CG1 3.41Å; S149-I153 PolarHBondContact O-N 3.09Å; L150-I153 PolarHBondContact O-N 3.16Å; I153-L156 PolarHBondContact O-N 2.73Å; I153-F157 VanDerWaalsContact O-CB 3.25Å; I153-F157 WeakPolarHBondContact O-CB 3.3Å; I153-F157 PolarHBondContact O-N 2.91Å
154I81.7Confident79.4Confident73 Ų7374.3 Ų74.337%0.37439%0.389SS..Hα-helixtrans-63.2-45.8177.1-71.5165.9000110.1F134 L150 V152 L156 F157 I158F134-I154 HydrophobicContact CE1-CG1 3.93Å; F134-I154 HydrophobicContact CZ-CG1 4.28Å; L150-I154 HydrophobicContact CD2-CD1 4.33Å; L150-I154 WeakPolarHBondContact O-CB 3.43Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.4Å; V152-I154 PolarHBondContact O-N 3Å; I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.04Å; I154-F157 PolarHBondContact O-N 2.76Å; I154-I158 HydrophobicContact CG2-CD1 3.78Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.72Å
155L83.8Confident78.9Confident73 Ų7375.6 Ų75.638%0.38239%0.385SS..Hα-helixtrans-63.2-40.7178.8169.2155.1000111.7P151 V152 I158 T159 W182P151-L155 VanDerWaalsContact O-CB 3.26Å; P151-L155 WeakPolarHBondContact O-CB 3.38Å; P151-L155 PolarHBondContact O-N 3.4Å; V152-L155 PolarHBondContact O-N 2.94Å; L155-I158 PolarHBondContact O-N 3.35Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.29Å; L155-T159 PolarHBondContact O-N 2.94Å; L155-T159 VanDerWaalsContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.14Å; L155-W182 HydrophobicContact CD1-CH2 4.13Å; L155-W182 HydrophobicContact CD2-CD2 4.47Å; L155-W182 HydrophobicContact CD2-CE3 4.25Å; L155-W182 HydrophobicContact CD2-CH2 3.12Å; L155-W182 HydrophobicContact CD2-CZ2 3.34Å; L155-W182 HydrophobicContact CD2-CZ3 3.6Å; L155-W182 HydrophobicContact CG-CH2 4Å; L155-W182 HydrophobicContact CG-CZ2 4.17Å
156L81.9Confident78.3Confident41 Ų4182.4 Ų82.422%0.21540%0.404CS..Hα-helixtrans-68.8-38.4174.3-69.3172.2000112.2V152 I153 I154 I158 T159 I160 W182 F186V152-L156 HydrophobicContact CG1-CD1 3.95Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.26Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.28Å; V152-L156 PolarHBondContact O-N 3.1Å; I153-L156 PolarHBondContact O-N 2.73Å; I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.12Å; L156-T159 PolarHBondContact O-N 3.5Å; L156-T159 PolarHBondContact O-OG1 3.28Å; L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 3.8Å; L156-I160 VanDerWaalsContact O-CB 3.26Å; L156-I160 WeakPolarHBondContact O-CB 3.14Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.73Å; L156-W182 HydrophobicContact CD2-CB 3.94Å; L156-W182 HydrophobicContact CD2-CD2 3.56Å; L156-W182 HydrophobicContact CD2-CE3 3.96Å; L156-W182 HydrophobicContact CD2-CG 3.52Å; L156-F186 HydrophobicContact CD1-CE2 4.03Å; L156-F186 HydrophobicContact CD1-CZ 4.17Å; L156-F186 HydrophobicContact CD2-CE2 3.77Å; L156-F186 HydrophobicContact CD2-CZ 4.02Å; L156-F186 HydrophobicContact CG-CE2 4.37Å; L156-F186 HydrophobicContact CG-CZ 4.34Å
157F80.5Confident77.7Confident92 Ų9287.6 Ų87.640%0.40443%0.428SS..Hα-helixtrans-65.9-34.6177.7-178.6-99000112.6V133 I153 I154V133-F157 HydrophobicContact CG2-CD2 4.47Å; I153-F157 VanDerWaalsContact O-CB 3.25Å; I153-F157 WeakPolarHBondContact O-CB 3.3Å; I153-F157 PolarHBondContact O-N 2.91Å; I154-F157 PolarHBondContact O-N 2.76Å
158I81.3Confident76.9Confident128 Ų12888.2 Ų88.266%0.65642%0.421SS*.Hα-helixtrans-73.6-36.9176.8-70.8169000111.1I154 L155 L156I154-I158 HydrophobicContact CG2-CD1 3.78Å; I154-I158 VanDerWaalsContact O-CG1 3.29Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.72Å; L155-I158 PolarHBondContact O-N 3.35Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.12Å
159T82.4Confident76.3Confident52 Ų5289.4 Ų89.432%0.31942%0.421SS..Hα-helixtrans-94.1-27.1-170.553.60000113.9L155 L156 P161 W182L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.29Å; L155-T159 PolarHBondContact O-N 2.94Å; L155-T159 VanDerWaalsContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.14Å; L156-T159 PolarHBondContact O-N 3.5Å; L156-T159 PolarHBondContact O-OG1 3.28Å; T159-P161 WeakPolarHBondContact O-CD 3.31Å; T159-W182 HydrophobicContact CG2-CZ2 4.12Å; T159-W182 PolarHBondContact OG1-NE1 2.77Å
160I81.3Confident76Confident45 Ų4595.3 Ų95.323%0.23144%0.444CS..SBendtrans-98.3113179.8-57.3176.8000109.3L156 D162 T175L156-I160 HydrophobicContact CB-CD1 4.23Å; L156-I160 HydrophobicContact CD2-CD1 3.8Å; L156-I160 VanDerWaalsContact O-CB 3.26Å; L156-I160 WeakPolarHBondContact O-CB 3.14Å; L156-I160 WeakPolarHBondContact O-CG1 3.11Å; L156-I160 PolarHBondContact O-N 2.73Å; I160-D162 PolarHBondContact O-N 3.31Å; I160-T175 HydrophobicContact CG2-CG2 3.8Å
161P75.7Confident75.9Confident15 Ų1599.9 Ų99.910%0.09746%0.459CS..  trans-70129.4179.417.4-19.6000112.6T159 C163 W168 I174 T175T159-P161 WeakPolarHBondContact O-CD 3.31Å; P161-C163 PolarHBondContact O-N 3.47Å; P161-W168 HydrophobicContact CB-CD2 3.76Å; P161-W168 HydrophobicContact CB-CE3 3.11Å; P161-W168 HydrophobicContact CB-CH2 3.84Å; P161-W168 HydrophobicContact CB-CZ2 4.41Å; P161-W168 HydrophobicContact CB-CZ3 3.17Å; P161-W168 HydrophobicContact CG-CE3 3.97Å; P161-W168 HydrophobicContact CG-CZ3 3.77Å; P161-I174 HydrophobicContact CG-CG2 4.19Å; P161-T175 WeakPolarHBondContact CG-OG1 3.48Å; P161-T175 WeakPolarHBondContact O-CB 3.26Å; P161-T175 WeakPolarHBondContact O-CG2 3.24Å; P161-T175 PolarHBondContact O-OG1 3.44Å
162D74.7Confident75.7Confident56 Ų56102.1 Ų102.130%0.29946%0.46SS..  trans-78.1103.6-177-176.82.6000112.3I160 R164 R165 W168I160-D162 PolarHBondContact O-N 3.31Å; D162-R164 PolarHBondContact O-N 2.98Å; D162-R164 VanDerWaalsContact O-N 3.12Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 VanDerWaalsContact OD1-CG 3.27Å; D162-R164 WeakPolarHBondContact OD1-CG 3.02Å; D162-R164 PolarHBondContact OD1-N 3.39Å; D162-R165 PolarHBondContact O-N 2.92Å; D162-R165 IonicContact OD2-NE 3.95Å; D162-W168 WeakPolarHBondContact O-CB 3.37Å
163C68.1Low75.8Confident46 Ų46104.1 Ų104.131%0.31147%0.467SS..THydrogen-bonded Turntrans-59.5-17.1176.3-700000114.5P161 R165 T175P161-C163 PolarHBondContact O-N 3.47Å; C163-R165 PolarHBondContact O-N 3.12Å; C163-T175 WeakPolarHBondContact SG-CB 3.4Å; C163-T175 PolarHBondContact SG-OG1 3.22Å
164R67.6Low76.2Confident182 Ų182105.3 Ų105.369%0.68747%0.473SS*.THydrogen-bonded Turntrans-70.2-21.8179.4-60.7176.162.9-175.50.6111.9D162D162-R164 PolarHBondContact O-N 2.98Å; D162-R164 VanDerWaalsContact O-N 3.12Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 VanDerWaalsContact OD1-CG 3.27Å; D162-R164 WeakPolarHBondContact OD1-CG 3.02Å; D162-R164 PolarHBondContact OD1-N 3.39Å
165R70.7Confident76.4Confident148 Ų148102.9 Ų102.956%0.55846%0.461SS*.SBendtrans-80.1135.1179.1-63.5-176-179.1-129.50.9110.3D162 C163 F167 W168 K169D162-R165 PolarHBondContact O-N 2.92Å; D162-R165 IonicContact OD2-NE 3.95Å; C163-R165 PolarHBondContact O-N 3.12Å; R165-F167 PolarHBondContact O-N 2.92Å; R165-W168 PolarHBondContact O-N 3.37Å; R165-K169 PolarHBondContact O-N 2.97Å
166R62.6Low76.5Confident244 Ų244105.5 Ų105.592%0.92147%0.47SS*.THydrogen-bonded Turntrans-52.7-28.5-176.6-141.8174.8-170.11742.7114
167F65.7Low76.8Confident160 Ų160109.3 Ų109.370%0.70249%0.485SS*.THydrogen-bonded Turntrans-74.5-36.6177.7-168.9-95000113.7R165R165-F167 PolarHBondContact O-N 2.92Å
168W66.7Low77.1Confident96 Ų96109 Ų10936%0.36449%0.485SS..THydrogen-bonded Turntrans-96.7-3.4-173.6-66.784.4000113.4P161 D162 R165 Q170 W171P161-W168 HydrophobicContact CB-CD2 3.76Å; P161-W168 HydrophobicContact CB-CE3 3.11Å; P161-W168 HydrophobicContact CB-CH2 3.84Å; P161-W168 HydrophobicContact CB-CZ2 4.41Å; P161-W168 HydrophobicContact CB-CZ3 3.17Å; P161-W168 HydrophobicContact CG-CE3 3.97Å; P161-W168 HydrophobicContact CG-CZ3 3.77Å; D162-W168 WeakPolarHBondContact O-CB 3.37Å; R165-W168 PolarHBondContact O-N 3.37Å; W168-Q170 PolarHBondContact O-N 3.49Å; W168-Q170 VanDerWaalsContact O-N 3.14Å; W168-W171 HydrophobicContact CE3-CB 4.25Å; W168-W171 PolarHBondContact O-N 3.2Å
169K69.8Low77.5Confident158 Ų158104.6 Ų104.669%0.68747%0.466SS*.G310 helixtrans-54.8-33178.2-172.2175.7-179.4178.60113.5R165 W171R165-K169 PolarHBondContact O-N 2.97Å; K169-W171 VanDerWaalsContact C-N 3.33Å
170Q74.3Confident77.7Confident170 Ų170104.2 Ų104.279%0.79447%0.468SS*.G310 helixtrans-78.9-16.6177.7-71.5175.7-24.800113.3W168W168-Q170 PolarHBondContact O-N 3.49Å; W168-Q170 VanDerWaalsContact O-N 3.14Å
171W77.7Confident78.2Confident130 Ų130106.1 Ų106.149%0.49248%0.482SS..G310 helixtrans-101.225.6-173.5-66.365.2000112W168 K169 M173 I174 T175W168-W171 HydrophobicContact CE3-CB 4.25Å; W168-W171 PolarHBondContact O-N 3.2Å; K169-W171 VanDerWaalsContact C-N 3.33Å; W171-M173 PolarHBondContact O-N 3.36Å; W171-M173 VanDerWaalsContact O-N 3.13Å; W171-I174 HydrophobicContact CE3-CD1 3.32Å; W171-I174 HydrophobicContact CE3-CG1 3.88Å; W171-I174 HydrophobicContact CZ3-CD1 3.55Å; W171-I174 WeakPolarHBondContact O-CB 3.46Å; W171-I174 PolarHBondContact O-N 2.75Å; W171-T175 PolarHBondContact O-N 3.44Å
172F81.6Confident78.8Confident130 Ų130108.2 Ų108.257%0.5749%0.488SS*.Hα-helixtrans-57.4-33.7-174.384.2-90.5000112.9I174 T175 F176F172-I174 VanDerWaalsContact C-N 3.3Å; F172-I174 PolarHBondContact O-N 3.02Å; F172-T175 PolarHBondContact O-N 2.63Å; F172-F176 PolarHBondContact O-N 3.17Å
173M85.8Confident79.4Confident105 Ų105110.7 Ų110.752%0.51750%0.5SS..Hα-helixtrans-63.5-36.9177.4-68.4-175.565.400111.7W171 F176 F177W171-M173 PolarHBondContact O-N 3.36Å; W171-M173 VanDerWaalsContact O-N 3.13Å; M173-F176 WeakPolarHBondContact O-CB 3.37Å; M173-F176 PolarHBondContact O-N 3.11Å; M173-F177 HydrophobicContact CB-CE2 4.4Å; M173-F177 HydrophobicContact CE-CE2 3.96Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 PolarHBondContact O-N 3.02Å
174I86.2Confident80.4Confident68 Ų68111.9 Ų111.935%0.34951%0.509SS..Hα-helixtrans-67.1-44.2178.4-55.3-141.5000109.9P161 W171 F172 F176 F177 M178P161-I174 HydrophobicContact CG-CG2 4.19Å; W171-I174 HydrophobicContact CE3-CD1 3.32Å; W171-I174 HydrophobicContact CE3-CG1 3.88Å; W171-I174 HydrophobicContact CZ3-CD1 3.55Å; W171-I174 WeakPolarHBondContact O-CB 3.46Å; W171-I174 PolarHBondContact O-N 2.75Å; F172-I174 VanDerWaalsContact C-N 3.3Å; F172-I174 PolarHBondContact O-N 3.02Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 3.16Å; I174-F177 PolarHBondContact O-N 3.34Å; I174-M178 HydrophobicContact CG2-CG 4.19Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.48Å
175T85.2Confident81.5Confident21 Ų21105.2 Ų105.213%0.12949%0.493CS..Hα-helixtrans-59.3-42.6174.6-54.80000111.5I160 P161 C163 W171 F172 S179I160-T175 HydrophobicContact CG2-CG2 3.8Å; P161-T175 WeakPolarHBondContact CG-OG1 3.48Å; P161-T175 WeakPolarHBondContact O-CB 3.26Å; P161-T175 WeakPolarHBondContact O-CG2 3.24Å; P161-T175 PolarHBondContact O-OG1 3.44Å; C163-T175 WeakPolarHBondContact SG-CB 3.4Å; C163-T175 PolarHBondContact SG-OG1 3.22Å; W171-T175 PolarHBondContact O-N 3.44Å; F172-T175 PolarHBondContact O-N 2.63Å; T175-S179 WeakPolarHBondContact O-CB 3.42Å; T175-S179 PolarHBondContact O-N 2.83Å; T175-S179 PolarHBondContact O-OG 3.47Å
176F86.1Confident82.4Confident129 Ų129102.4 Ų102.457%0.56649%0.485SS*.Hα-helixtrans-59.6-53.9176.5178.1-98.2000111.6F172 M173 I174 M178 S179 A180F172-F176 PolarHBondContact O-N 3.17Å; M173-F176 WeakPolarHBondContact O-CB 3.37Å; M173-F176 PolarHBondContact O-N 3.11Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 3.16Å; F176-M178 PolarHBondContact O-N 3.42Å; F176-S179 PolarHBondContact O-N 3.22Å; F176-S179 PolarHBondContact O-OG 3.47Å; F176-A180 PolarHBondContact O-N 3.03Å
177F88.4Confident83.6Confident121 Ų12194.3 Ų94.353%0.53146%0.463SS..Hα-helixtrans-63.4-41179.6-73.4-63.4000112.7M173 I174 S179 A180 V181M173-F177 HydrophobicContact CB-CE2 4.4Å; M173-F177 HydrophobicContact CE-CE2 3.96Å; M173-F177 WeakPolarHBondContact O-CD2 3.49Å; M173-F177 PolarHBondContact O-N 3.02Å; I174-F177 PolarHBondContact O-N 3.34Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.06Å; F177-A180 PolarHBondContact O-N 3.04Å; F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 2.93Å
178M87.9Confident84.9Confident84 Ų8494.6 Ų94.641%0.41446%0.46SS..Hα-helixtrans-64.1-40176.8-74.4-63.1178.600111.9I174 F176 A180 V181 W182I174-M178 HydrophobicContact CG2-CG 4.19Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.31Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.48Å; F176-M178 PolarHBondContact O-N 3.42Å; M178-A180 VanDerWaalsContact C-N 3.35Å; M178-V181 PolarHBondContact O-N 3.06Å; M178-W182 PolarHBondContact O-N 3.49Å; M178-W182 VanDerWaalsContact O-N 3.08Å
179S88.6Confident86.1Confident36 Ų3693.4 Ų93.425%0.25246%0.463SS..Hα-helixtrans-64.1-40.1174.171.70000111.9T175 F176 F177 V181 W182 I183T175-S179 WeakPolarHBondContact O-CB 3.42Å; T175-S179 PolarHBondContact O-N 2.83Å; T175-S179 PolarHBondContact O-OG 3.47Å; F176-S179 PolarHBondContact O-N 3.22Å; F176-S179 PolarHBondContact O-OG 3.47Å; F177-S179 VanDerWaalsContact C-N 3.35Å; F177-S179 PolarHBondContact O-N 3.06Å; S179-V181 PolarHBondContact O-N 3.16Å; S179-W182 PolarHBondContact O-N 3.32Å; S179-I183 VanDerWaalsContact O-CG1 3.24Å; S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.37Å
180A87.8Confident87.1Confident44 Ų4489.6 Ų89.636%0.36445%0.45SS..Hα-helixtrans-63.7-39.7176.800000112.3F176 F177 M178 I183 S184F176-A180 PolarHBondContact O-N 3.03Å; F177-A180 PolarHBondContact O-N 3.04Å; M178-A180 VanDerWaalsContact C-N 3.35Å; A180-I183 PolarHBondContact O-N 3.25Å; A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 PolarHBondContact O-OG 2.97Å
181V90.3Very high87.9Confident86 Ų8684.3 Ų84.352%0.52143%0.429SS..Hα-helixtrans-64.8-41175.1170.80000111.6F177 M178 S179 S184 A185F177-V181 WeakPolarHBondContact O-CG2 3.43Å; F177-V181 PolarHBondContact O-N 2.93Å; M178-V181 PolarHBondContact O-N 3.06Å; S179-V181 PolarHBondContact O-N 3.16Å; V181-S184 PolarHBondContact O-N 3.05Å; V181-S184 PolarHBondContact O-OG 3.47Å; V181-A185 WeakPolarHBondContact O-CB 3.32Å; V181-A185 PolarHBondContact O-N 3Å
182W88.1Confident88.6Confident58 Ų5884.5 Ų84.522%0.2243%0.43CS..Hα-helixtrans-68.6-42.2176.5-85.7111.1000112.7L155 L156 T159 M178 S179 S184 A185 F186L155-W182 HydrophobicContact CD1-CH2 4.13Å; L155-W182 HydrophobicContact CD2-CD2 4.47Å; L155-W182 HydrophobicContact CD2-CE3 4.25Å; L155-W182 HydrophobicContact CD2-CH2 3.12Å; L155-W182 HydrophobicContact CD2-CZ2 3.34Å; L155-W182 HydrophobicContact CD2-CZ3 3.6Å; L155-W182 HydrophobicContact CG-CH2 4Å; L155-W182 HydrophobicContact CG-CZ2 4.17Å; L156-W182 HydrophobicContact CD2-CB 3.94Å; L156-W182 HydrophobicContact CD2-CD2 3.56Å; L156-W182 HydrophobicContact CD2-CE3 3.96Å; L156-W182 HydrophobicContact CD2-CG 3.52Å; T159-W182 HydrophobicContact CG2-CZ2 4.12Å; T159-W182 PolarHBondContact OG1-NE1 2.77Å; M178-W182 PolarHBondContact O-N 3.49Å; M178-W182 VanDerWaalsContact O-N 3.08Å; S179-W182 PolarHBondContact O-N 3.32Å; W182-S184 VanDerWaalsContact C-N 3.32Å; W182-S184 PolarHBondContact O-N 2.75Å; W182-A185 PolarHBondContact O-N 2.79Å; W182-F186 HydrophobicContact CB-CE2 4.24Å; W182-F186 HydrophobicContact CD2-CE2 4.47Å; W182-F186 HydrophobicContact CE3-CD2 4.47Å; W182-F186 HydrophobicContact CE3-CE1 4.25Å; W182-F186 AromaticContact CE3-CE2 3.8Å; W182-F186 HydrophobicContact CE3-CE2 3.8Å; W182-F186 AromaticContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CZ3-CE1 4.39Å; W182-F186 HydrophobicContact CZ3-CZ 4.08Å; W182-F186 WeakPolarHBondContact O-CD2 3.48Å; W182-F186 WeakPolarHBondContact O-CG 3.46Å; W182-F186 PolarHBondContact O-N 2.97Å
183I88.4Confident89.1Confident108 Ų10882.5 Ų82.555%0.55442%0.424SS*.Hα-helixtrans-58.4-47.5174.5-68.6164.4000109.5S179 A180 A185 F186 T187S179-I183 VanDerWaalsContact O-CG1 3.24Å; S179-I183 WeakPolarHBondContact O-CG1 3.27Å; S179-I183 PolarHBondContact O-N 3.37Å; A180-I183 PolarHBondContact O-N 3.25Å; I183-A185 PolarHBondContact O-N 3.31Å; I183-F186 PolarHBondContact O-N 3.22Å; I183-T187 WeakPolarHBondContact O-CB 3.1Å; I183-T187 PolarHBondContact O-N 3.41Å; I183-T187 PolarHBondContact O-OG1 2.81Å
184S88.6Confident89.4Confident72 Ų7278.5 Ų78.550%0.50341%0.405SS..Hα-helixtrans-63.7-39.717970.60000112.8A180 V181 W182 T187 Y188A180-S184 WeakPolarHBondContact O-CB 3.47Å; A180-S184 PolarHBondContact O-N 3.07Å; A180-S184 PolarHBondContact O-OG 2.97Å; V181-S184 PolarHBondContact O-N 3.05Å; V181-S184 PolarHBondContact O-OG 3.47Å; W182-S184 VanDerWaalsContact C-N 3.32Å; W182-S184 PolarHBondContact O-N 2.75Å; S184-T187 PolarHBondContact O-N 2.88Å; S184-Y188 WeakPolarHBondContact O-CB 3.37Å; S184-Y188 PolarHBondContact O-N 3.43Å
185A90.9Very high89.6Confident42 Ų4277.4 Ų77.435%0.34740%0.402SS..Hα-helixtrans-62.8-45.3175.100000112.1V181 W182 I183 Y188 V189V181-A185 WeakPolarHBondContact O-CB 3.32Å; V181-A185 PolarHBondContact O-N 3Å; W182-A185 PolarHBondContact O-N 2.79Å; I183-A185 PolarHBondContact O-N 3.31Å; A185-Y188 PolarHBondContact O-N 3.28Å; A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.96Å; A185-V189 VanDerWaalsContact O-N 3.11Å
186F88.8Confident90Very high88 Ų8879.1 Ų79.139%0.38641%0.412SS..Hα-helixtrans-66.7-40.6176.8-69.4-50.5000112.3V152 L156 W182 I183 Y188 V189 L190V152-F186 HydrophobicContact CG1-CE1 4.19Å; V152-F186 HydrophobicContact CG1-CZ 3.79Å; L156-F186 HydrophobicContact CD1-CE2 4.03Å; L156-F186 HydrophobicContact CD1-CZ 4.17Å; L156-F186 HydrophobicContact CD2-CE2 3.77Å; L156-F186 HydrophobicContact CD2-CZ 4.02Å; L156-F186 HydrophobicContact CG-CE2 4.37Å; L156-F186 HydrophobicContact CG-CZ 4.34Å; W182-F186 HydrophobicContact CB-CE2 4.24Å; W182-F186 HydrophobicContact CD2-CE2 4.47Å; W182-F186 HydrophobicContact CE3-CD2 4.47Å; W182-F186 HydrophobicContact CE3-CE1 4.25Å; W182-F186 AromaticContact CE3-CE2 3.8Å; W182-F186 HydrophobicContact CE3-CE2 3.8Å; W182-F186 AromaticContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CE3-CZ 3.66Å; W182-F186 HydrophobicContact CZ3-CE1 4.39Å; W182-F186 HydrophobicContact CZ3-CZ 4.08Å; W182-F186 WeakPolarHBondContact O-CD2 3.48Å; W182-F186 WeakPolarHBondContact O-CG 3.46Å; W182-F186 PolarHBondContact O-N 2.97Å; I183-F186 PolarHBondContact O-N 3.22Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 PolarHBondContact O-N 3.35Å; F186-V189 PolarHBondContact O-N 3.34Å; F186-L190 VanDerWaalsContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CB 3.4Å; F186-L190 PolarHBondContact O-N 3.16Å
187T89.5Confident90.3Very high75 Ų7575.9 Ų75.946%0.4640%0.403SS..Hα-helixtrans-62.1-40.6175.5-59.80000111.2I183 S184 L190 V191I183-T187 WeakPolarHBondContact O-CB 3.1Å; I183-T187 PolarHBondContact O-N 3.41Å; I183-T187 PolarHBondContact O-OG1 2.81Å; S184-T187 PolarHBondContact O-N 2.88Å; T187-L190 PolarHBondContact O-N 3.37Å; T187-V191 HydrophobicContact CG2-CG2 4.41Å; T187-V191 VanDerWaalsContact O-CG2 3.32Å; T187-V191 WeakPolarHBondContact O-CG2 3.5Å; T187-V191 PolarHBondContact O-N 2.73Å
188Y91.6Very high90.4Very high165 Ų16570.1 Ų70.165%0.64738%0.378SS*.Hα-helixtrans-61-48.7175.4176.6-98.2000112.1S184 A185 F186 L190 V191 W192S184-Y188 WeakPolarHBondContact O-CB 3.37Å; S184-Y188 PolarHBondContact O-N 3.43Å; A185-Y188 PolarHBondContact O-N 3.28Å; F186-Y188 VanDerWaalsContact C-N 3.32Å; F186-Y188 PolarHBondContact O-N 3.35Å; Y188-L190 VanDerWaalsContact C-N 3.3Å; Y188-L190 PolarHBondContact O-N 3.12Å; Y188-V191 PolarHBondContact O-N 2.85Å; Y188-W192 WeakPolarHBondContact O-CB 3.39Å; Y188-W192 PolarHBondContact O-N 3.32Å
189V91.8Very high90.5Very high71 Ų7173.2 Ų73.243%0.4339%0.391SS..Hα-helixtrans-62.2-40.3177.2174.20000111.1A185 F186 W192 M193A185-V189 WeakPolarHBondContact O-CG2 3.44Å; A185-V189 PolarHBondContact O-N 2.96Å; A185-V189 VanDerWaalsContact O-N 3.11Å; F186-V189 PolarHBondContact O-N 3.34Å; V189-W192 PolarHBondContact O-N 3.26Å; V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 WeakPolarHBondContact O-CB 3.27Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 3.05Å
190L90.6Very high90.7Very high79 Ų7976.6 Ų76.641%0.41441%0.41SS..Hα-helixtrans-61.5-51178-171.7163.1000110.9F186 T187 Y188 W192 M193 V194 L213F186-L190 VanDerWaalsContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CB 3.4Å; F186-L190 PolarHBondContact O-N 3.16Å; T187-L190 PolarHBondContact O-N 3.37Å; Y188-L190 VanDerWaalsContact C-N 3.3Å; Y188-L190 PolarHBondContact O-N 3.12Å; L190-W192 VanDerWaalsContact C-N 3.35Å; L190-W192 PolarHBondContact O-N 2.92Å; L190-M193 PolarHBondContact O-N 3.21Å; L190-V194 HydrophobicContact CD2-CG2 4.01Å; L190-V194 WeakPolarHBondContact O-CB 3.32Å; L190-V194 VanDerWaalsContact O-CG2 3.27Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.19Å; L190-L213 HydrophobicContact CD2-CD1 3.18Å; L190-L213 HydrophobicContact CD2-CG 4.15Å
191V91.8Very high90.8Very high58 Ų5879.5 Ų79.535%0.35242%0.419SS..Hα-helixtrans-59.6-47177.9173.40000110.5T187 Y188 M193 V194 T195 L213T187-V191 HydrophobicContact CG2-CG2 4.41Å; T187-V191 VanDerWaalsContact O-CG2 3.32Å; T187-V191 WeakPolarHBondContact O-CG2 3.5Å; T187-V191 PolarHBondContact O-N 2.73Å; Y188-V191 PolarHBondContact O-N 2.85Å; V191-M193 PolarHBondContact O-N 2.88Å; V191-V194 PolarHBondContact O-N 3.24Å; V191-T195 HydrophobicContact CG1-CG2 4.47Å; V191-T195 WeakPolarHBondContact O-CG2 3.32Å; V191-T195 PolarHBondContact O-N 3.23Å; V191-T195 PolarHBondContact O-OG1 3.36Å; V191-L213 HydrophobicContact CG2-CD1 4.01Å; V191-L213 HydrophobicContact CG2-CD2 4.13Å
192W92.6Very high90.6Very high134 Ų13480.2 Ų80.251%0.50842%0.42SS..Hα-helixtrans-60.9-42.4179.4177.943.5000113Y188 V189 L190 T195 V196Y188-W192 WeakPolarHBondContact O-CB 3.39Å; Y188-W192 PolarHBondContact O-N 3.32Å; V189-W192 PolarHBondContact O-N 3.26Å; L190-W192 VanDerWaalsContact C-N 3.35Å; L190-W192 PolarHBondContact O-N 2.92Å; W192-T195 PolarHBondContact O-OG1 3.41Å; W192-V196 VanDerWaalsContact O-CG2 3.27Å; W192-V196 WeakPolarHBondContact O-CG2 3.16Å; W192-V196 PolarHBondContact O-N 2.95Å; W192-V196 VanDerWaalsContact O-N 3.09Å
193M92.4Very high90.5Very high88 Ų8880 Ų8043%0.43342%0.422SS..Hα-helixtrans-67.2-38.7176.8-70.1-70.8139.900111.8V189 L190 V191 V196 V197V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 WeakPolarHBondContact O-CB 3.27Å; V189-M193 WeakPolarHBondContact O-CG 3.44Å; V189-M193 PolarHBondContact O-N 3.05Å; L190-M193 PolarHBondContact O-N 3.21Å; V191-M193 PolarHBondContact O-N 2.88Å; M193-V196 PolarHBondContact O-N 3.33Å; M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 VanDerWaalsContact O-CG2 3.3Å; M193-V197 WeakPolarHBondContact O-CG2 3.02Å; M193-V197 PolarHBondContact O-N 2.98Å
194V92.1Very high90.3Very high21 Ų2176.4 Ų76.413%0.12741%0.406CS..Hα-helixtrans-64.8-41.3178.2165.90000111.4L190 V191 V197 G198 M208 L213L190-V194 HydrophobicContact CD2-CG2 4.01Å; L190-V194 WeakPolarHBondContact O-CB 3.32Å; L190-V194 VanDerWaalsContact O-CG2 3.27Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.19Å; V191-V194 PolarHBondContact O-N 3.24Å; V194-V197 PolarHBondContact O-N 3.45Å; V194-G198 PolarHBondContact O-N 2.85Å; V194-M208 HydrophobicContact CG1-CB 3.8Å; V194-M208 HydrophobicContact CG1-CE 4.09Å; V194-L213 HydrophobicContact CB-CD1 4.16Å; V194-L213 HydrophobicContact CG1-CD1 4.11Å; V194-L213 HydrophobicContact CG2-CD1 4.04Å
195T90.6Very high90.2Very high45 Ų4577.4 Ų77.428%0.27641%0.406SS..Hα-helixtrans-67.6-43.3176.5570000111.6V191 W192 V197 G198 E199V191-T195 HydrophobicContact CG1-CG2 4.47Å; V191-T195 WeakPolarHBondContact O-CG2 3.32Å; V191-T195 PolarHBondContact O-N 3.23Å; V191-T195 PolarHBondContact O-OG1 3.36Å; W192-T195 PolarHBondContact O-OG1 3.41Å; T195-V197 VanDerWaalsContact C-N 3.32Å; T195-V197 PolarHBondContact O-N 2.84Å; T195-G198 PolarHBondContact O-N 3.15Å; T195-G198 VanDerWaalsContact O-N 3.12Å; T195-E199 PolarHBondContact O-N 2.92Å
196V93.2Very high89.8Confident57 Ų5778.2 Ų78.235%0.34541%0.407SS..Hα-helixtrans-60-43.1176.2171.10000111.2W192 M193 E199 T200W192-V196 VanDerWaalsContact O-CG2 3.27Å; W192-V196 WeakPolarHBondContact O-CG2 3.16Å; W192-V196 PolarHBondContact O-N 2.95Å; W192-V196 VanDerWaalsContact O-N 3.09Å; M193-V196 PolarHBondContact O-N 3.33Å; V196-E199 PolarHBondContact O-N 3.4Å; V196-T200 WeakPolarHBondContact O-CG2 3.27Å; V196-T200 PolarHBondContact O-N 3.22Å; V196-T200 PolarHBondContact O-OG1 3.12Å
197V92.4Very high89.6Confident62 Ų6274.5 Ų74.538%0.37639%0.391SS..Hα-helixtrans-65.1-40.5175.9171.60000111.1M193 V194 T195 T200 L201 M208M193-V197 WeakPolarHBondContact O-CB 3.42Å; M193-V197 VanDerWaalsContact O-CG2 3.3Å; M193-V197 WeakPolarHBondContact O-CG2 3.02Å; M193-V197 PolarHBondContact O-N 2.98Å; V194-V197 PolarHBondContact O-N 3.45Å; T195-V197 VanDerWaalsContact C-N 3.32Å; T195-V197 PolarHBondContact O-N 2.84Å; V197-T200 WeakPolarHBondContact CA-OG1 3.47Å; V197-T200 PolarHBondContact O-N 2.92Å; V197-T200 PolarHBondContact O-OG1 2.99Å; V197-L201 HydrophobicContact CG1-CD1 3.71Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 WeakPolarHBondContact O-CB 3.5Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 3.17Å; V197-M208 HydrophobicContact CB-CE 4.34Å; V197-M208 HydrophobicContact CG1-CE 4.02Å
198G90.3Very high89.6Confident0 Ų071.3 Ų71.30%037%0.371CS..Hα-helixtrans-56.5-49.6175.200000112.4V194 T195 T200 L201 D202 I203V194-G198 PolarHBondContact O-N 2.85Å; T195-G198 PolarHBondContact O-N 3.15Å; T195-G198 VanDerWaalsContact O-N 3.12Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å; G198-L201 PolarHBondContact O-N 3.37Å; G198-D202 PolarHBondContact O-N 3.26Å; G198-I203 PolarHBondContact O-N 3.02Å
199E90.4Very high89.4Confident149 Ų14964.8 Ų64.870%0.69635%0.354SS*.Hα-helixtrans-60.4-40.6175.6-70.7-178.8174.400112.2T195 V196 L201 D202T195-E199 PolarHBondContact O-N 2.92Å; V196-E199 PolarHBondContact O-N 3.4Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.34Å; E199-D202 PolarHBondContact O-N 3.03Å
200T92.4Very high89.1Confident106 Ų10664.3 Ų64.365%0.6535%0.348SS*.Hα-helixtrans-70.1-26.7178.659.30000114.2V196 V197 G198V196-T200 WeakPolarHBondContact O-CG2 3.27Å; V196-T200 PolarHBondContact O-N 3.22Å; V196-T200 PolarHBondContact O-OG1 3.12Å; V197-T200 WeakPolarHBondContact CA-OG1 3.47Å; V197-T200 PolarHBondContact O-N 2.92Å; V197-T200 PolarHBondContact O-OG1 2.99Å; G198-T200 VanDerWaalsContact C-N 3.34Å; G198-T200 PolarHBondContact O-N 3.35Å
201L89.6Confident89Confident106 Ų10662.7 Ų62.756%0.55534%0.342SS*.Hα-helixtrans-97.8-0.6-179-66.2178.5000113.1V197 G198 E199 I203V197-L201 HydrophobicContact CG1-CD1 3.71Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 WeakPolarHBondContact O-CB 3.5Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 3.17Å; G198-L201 PolarHBondContact O-N 3.37Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.34Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 HydrophobicContact CB-CD1 3.82Å; L201-I203 HydrophobicContact CB-CG1 3.91Å; L201-I203 HydrophobicContact CD1-CD1 4.15Å; L201-I203 PolarHBondContact O-N 3.45Å
202D87.6Confident88.9Confident100 Ų10064.5 Ų64.554%0.53535%0.349SS..THydrogen-bonded Turntrans55.439.7-174.1-160.228.7000113G198 E199 L335G198-D202 PolarHBondContact O-N 3.26Å; E199-D202 PolarHBondContact O-N 3.03Å; D202-L335 VanDerWaalsContact OD1-CD2 3.25Å; D202-L335 WeakPolarHBondContact OD1-CD2 3.23Å
203I85.9Confident88.7Confident54 Ų5460.5 Ų60.528%0.27734%0.337SS..  trans-107.4128.9178.7-60.2174.9000108.5G198 L201 V207 M208G198-I203 PolarHBondContact O-N 3.02Å; L201-I203 VanDerWaalsContact C-N 3.25Å; L201-I203 HydrophobicContact CB-CD1 3.82Å; L201-I203 HydrophobicContact CB-CG1 3.91Å; L201-I203 HydrophobicContact CD1-CD1 4.15Å; L201-I203 PolarHBondContact O-N 3.45Å; I203-V207 HydrophobicContact CG2-CB 3.8Å; I203-V207 HydrophobicContact CG2-CG1 3.78Å; I203-M208 HydrophobicContact CB-CG 4.33Å; I203-M208 HydrophobicContact CB-SD 4.24Å; I203-M208 HydrophobicContact CD1-SD 4.38Å; I203-M208 HydrophobicContact CG2-CG 3.94Å; I203-M208 HydrophobicContact CG2-SD 3.94Å
204P84.4Confident88.5Confident33 Ų3358.1 Ų58.121%0.21433%0.332CS..  trans-56.6141.7178.8-23.632.1000113.1T206 V207 M208 M325P204-T206 PolarHBondContact O-N 2.92Å; P204-T206 VanDerWaalsContact O-N 3.14Å; P204-V207 HydrophobicContact CB-CG2 4.34Å; P204-V207 HydrophobicContact CG-CG2 4.42Å; P204-V207 WeakPolarHBondContact O-CB 3.37Å; P204-V207 PolarHBondContact O-N 3.43Å; P204-M208 PolarHBondContact O-N 3.11Å; P204-M325 VanDerWaalsContact CD-SD 3.59Å; P204-M325 HydrophobicContact CG-SD 4.08Å
205D84.7Confident88.2Confident93 Ų9359.2 Ų59.250%0.49734%0.343SS..Hα-helixtrans-54.8-35.4178.7-69.6-26.5000112.8V207 M208 G209D205-V207 VanDerWaalsContact C-N 3.31Å; D205-V207 PolarHBondContact O-N 3.3Å; D205-M208 PolarHBondContact O-N 2.96Å; D205-G209 PolarHBondContact O-N 3.42Å
206T82.8Confident88Confident59 Ų5958.7 Ų58.736%0.36235%0.347SS..Hα-helixtrans-58.1-43.2175.5-42.60000111.5P204 G209 L210 I279 E324P204-T206 PolarHBondContact O-N 2.92Å; P204-T206 VanDerWaalsContact O-N 3.14Å; T206-G209 PolarHBondContact O-N 3.2Å; T206-L210 HydrophobicContact CG2-CD1 4.04Å; T206-L210 HydrophobicContact CG2-CG 4.5Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.45Å; T206-L210 PolarHBondContact O-N 2.87Å; T206-I279 HydrophobicContact CG2-CD1 4.09Å; T206-E324 VanDerWaalsContact CB-OE1 3.22Å; T206-E324 WeakPolarHBondContact CB-OE1 3.14Å; T206-E324 HydrophobicContact CG2-CG 4.22Å; T206-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T206-E324 PolarHBondContact OG1-OE1 3.46Å
207V85.8Confident87.6Confident9 Ų959.7 Ų59.76%0.05535%0.353CS..Hα-helixtrans-69.7-41.5-179.5176.60000110.6I203 P204 D205 G209 L210 T211 I321 E324 M325I203-V207 HydrophobicContact CG2-CB 3.8Å; I203-V207 HydrophobicContact CG2-CG1 3.78Å; P204-V207 HydrophobicContact CB-CG2 4.34Å; P204-V207 HydrophobicContact CG-CG2 4.42Å; P204-V207 WeakPolarHBondContact O-CB 3.37Å; P204-V207 PolarHBondContact O-N 3.43Å; D205-V207 VanDerWaalsContact C-N 3.31Å; D205-V207 PolarHBondContact O-N 3.3Å; V207-G209 VanDerWaalsContact C-N 3.31Å; V207-G209 PolarHBondContact O-N 3.47Å; V207-L210 PolarHBondContact O-N 2.72Å; V207-T211 HydrophobicContact CG1-CG2 4.49Å; V207-T211 WeakPolarHBondContact O-CB 3.29Å; V207-T211 WeakPolarHBondContact O-CG2 3.24Å; V207-T211 PolarHBondContact O-N 3.35Å; V207-T211 VanDerWaalsContact O-N 3.08Å; V207-T211 PolarHBondContact O-OG1 3.18Å; V207-I321 HydrophobicContact CG1-CG1 4.33Å; V207-I321 HydrophobicContact CG1-CG2 3.93Å; V207-E324 HydrophobicContact CG2-CB 3.89Å; V207-E324 HydrophobicContact CG2-CG 3.68Å; V207-M325 HydrophobicContact CG2-CG 4.48Å; V207-M325 HydrophobicContact CG2-SD 4.21Å
208M88.5Confident87.3Confident9 Ų958.8 Ų58.84%0.04435%0.349CS..Hα-helixtrans-63.1-38.4175.9-67.2-60.7-74.600111.8V194 V197 I203 P204 D205 L212 L213V194-M208 HydrophobicContact CG1-CB 3.8Å; V194-M208 HydrophobicContact CG1-CE 4.09Å; V197-M208 HydrophobicContact CB-CE 4.34Å; V197-M208 HydrophobicContact CG1-CE 4.02Å; I203-M208 HydrophobicContact CB-CG 4.33Å; I203-M208 HydrophobicContact CB-SD 4.24Å; I203-M208 HydrophobicContact CD1-SD 4.38Å; I203-M208 HydrophobicContact CG2-CG 3.94Å; I203-M208 HydrophobicContact CG2-SD 3.94Å; P204-M208 PolarHBondContact O-N 3.11Å; D205-M208 PolarHBondContact O-N 2.96Å; M208-L212 HydrophobicContact CE-CD1 3.45Å; M208-L212 VanDerWaalsContact CE-CD1 3.45Å; M208-L212 HydrophobicContact CE-CG 4.36Å; M208-L212 PolarHBondContact O-N 3.47Å; M208-L212 HydrophobicContact SD-CD1 4.4Å; M208-L213 PolarHBondContact O-N 3.25Å
209G88.1Confident87Confident27 Ų2763.6 Ų63.628%0.27837%0.374SS..Iπ-helixtrans-62.7-50.4172.200000113.1D205 T206 V207 T211 L213 A214D205-G209 PolarHBondContact O-N 3.42Å; T206-G209 PolarHBondContact O-N 3.2Å; V207-G209 VanDerWaalsContact C-N 3.31Å; V207-G209 PolarHBondContact O-N 3.47Å; G209-T211 PolarHBondContact O-N 2.78Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; G209-A214 PolarHBondContact O-N 3.04Å
210L85Confident86.7Confident61 Ų6160.1 Ų60.132%0.31936%0.364SS..Iπ-helixtrans-65.4-20.6-179.7-72.2168.6000113.9T206 V207 A214 I279T206-L210 HydrophobicContact CG2-CD1 4.04Å; T206-L210 HydrophobicContact CG2-CG 4.5Å; T206-L210 WeakPolarHBondContact O-CB 3.39Å; T206-L210 WeakPolarHBondContact O-CG 3.45Å; T206-L210 PolarHBondContact O-N 2.87Å; V207-L210 PolarHBondContact O-N 2.72Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-I279 HydrophobicContact CD1-CD1 3.93Å; L210-I279 HydrophobicContact CD1-CG1 4.45Å; L210-I279 HydrophobicContact CD2-CG2 4.23Å
211T89.3Confident86.2Confident46 Ų4658.2 Ų58.228%0.28235%0.35SS..Iπ-helixtrans-110.2-76.6-174.656.10000112.4V207 G209 A215 I321V207-T211 HydrophobicContact CG1-CG2 4.49Å; V207-T211 WeakPolarHBondContact O-CB 3.29Å; V207-T211 WeakPolarHBondContact O-CG2 3.24Å; V207-T211 PolarHBondContact O-N 3.35Å; V207-T211 VanDerWaalsContact O-N 3.08Å; V207-T211 PolarHBondContact O-OG1 3.18Å; G209-T211 PolarHBondContact O-N 2.78Å; T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.39Å; T211-I321 HydrophobicContact CG2-CD1 3.55Å; T211-I321 HydrophobicContact CG2-CG1 4.12Å
212L88.5Confident85.8Confident96 Ų9656.6 Ų56.650%0.50335%0.345SS..Iπ-helixtrans-69.7-44.2-173.1-67.3-174000112M208 G216M208-L212 HydrophobicContact CE-CD1 3.45Å; M208-L212 VanDerWaalsContact CE-CD1 3.45Å; M208-L212 HydrophobicContact CE-CG 4.36Å; M208-L212 PolarHBondContact O-N 3.47Å; M208-L212 HydrophobicContact SD-CD1 4.4Å; L212-G216 PolarHBondContact O-N 3.44Å
213L88.7Confident85.6Confident49 Ų4955.3 Ų55.326%0.25734%0.34SS..Iπ-helixtrans-67.7-49.3-178.8-138.982000110.7L190 V191 V194 M208 G209 A215 G216 T217L190-L213 HydrophobicContact CD2-CD1 3.18Å; L190-L213 HydrophobicContact CD2-CG 4.15Å; V191-L213 HydrophobicContact CG2-CD1 4.01Å; V191-L213 HydrophobicContact CG2-CD2 4.13Å; V194-L213 HydrophobicContact CB-CD1 4.16Å; V194-L213 HydrophobicContact CG1-CD1 4.11Å; V194-L213 HydrophobicContact CG2-CD1 4.04Å; M208-L213 PolarHBondContact O-N 3.25Å; G209-L213 WeakPolarHBondContact O-CB 3.46Å; L213-A215 PolarHBondContact O-N 3.39Å; L213-G216 PolarHBondContact O-N 3.4Å; L213-T217 PolarHBondContact O-N 3.14Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3Å
214A87.7Confident85.5Confident39 Ų3954.8 Ų54.832%0.32234%0.344SS..Hα-helixtrans-60.4-43.6176.900000112.7G209 L210 T217 S218G209-A214 PolarHBondContact O-N 3.04Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; A214-T217 PolarHBondContact O-OG1 2.93Å; A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.08Å; A214-S218 VanDerWaalsContact O-N 3.16Å; A214-S218 PolarHBondContact O-OG 3.36Å
215A87.4Confident85.5Confident43 Ų4353.4 Ų53.436%0.35534%0.335SS..Hα-helixtrans-64.2-41.9175.200000111.5T211 L213 T217 S218 I219T211-A215 WeakPolarHBondContact O-CB 3.49Å; T211-A215 PolarHBondContact O-N 3.39Å; L213-A215 PolarHBondContact O-N 3.39Å; A215-T217 PolarHBondContact O-N 3.2Å; A215-S218 PolarHBondContact O-N 3.25Å; A215-I219 VanDerWaalsContact O-CD1 3.26Å; A215-I219 WeakPolarHBondContact O-CD1 3.42Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.93Å; A215-I219 VanDerWaalsContact O-N 3.1Å
216G84.9Confident85.6Confident35 Ų3552.3 Ų52.336%0.36133%0.332SS..Hα-helixtrans-59.8-42.7-179.600000113.5L212 L213 P220L212-G216 PolarHBondContact O-N 3.44Å; L213-G216 PolarHBondContact O-N 3.4Å; G216-P220 WeakPolarHBondContact O-CD 3.46Å
217T84.4Confident85.5Confident78 Ų7853.6 Ų53.648%0.47934%0.335SS..Hα-helixtrans-74.5-38.8179.155.50000112.4L213 A214 A215 P220L213-T217 PolarHBondContact O-N 3.14Å; L213-T217 VanDerWaalsContact O-N 3.08Å; L213-T217 PolarHBondContact O-OG1 3Å; A214-T217 PolarHBondContact O-OG1 2.93Å; A215-T217 PolarHBondContact O-N 3.2Å; T217-P220 VanDerWaalsContact O-CD 3.28Å; T217-P220 WeakPolarHBondContact O-CD 3.49Å; T217-P220 VanDerWaalsContact O-CG 3.28Å; T217-P220 WeakPolarHBondContact O-CG 3.27Å
218S87.5Confident85.2Confident42 Ų4254.2 Ų54.229%0.29434%0.339SS..Hα-helixtrans-82.5-16.4-175.2-56.90000115.2A214 A215 T222A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.08Å; A214-S218 VanDerWaalsContact O-N 3.16Å; A214-S218 PolarHBondContact O-OG 3.36Å; A215-S218 PolarHBondContact O-N 3.25Å; S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.23Å; S218-T222 PolarHBondContact O-N 3.05Å; S218-T222 PolarHBondContact O-OG1 2.98Å
219I83.7Confident85Confident102 Ų10255.6 Ų55.652%0.52335%0.351SS..Hα-helixtrans-56.7-54.5176.3-76.9159000112.8A215 D221 T222 V223A215-I219 VanDerWaalsContact O-CD1 3.26Å; A215-I219 WeakPolarHBondContact O-CD1 3.42Å; A215-I219 WeakPolarHBondContact O-CG1 3.2Å; A215-I219 PolarHBondContact O-N 2.93Å; A215-I219 VanDerWaalsContact O-N 3.1Å; I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.7Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 3.47Å; I219-V223 WeakPolarHBondContact O-CG2 3.49Å; I219-V223 PolarHBondContact O-N 2.76Å
220P82.9Confident84.7Confident75 Ų7564.2 Ų64.249%0.48738%0.375SS..Hα-helixtrans-59.8-41.6-179.321.8-33.8000112.5G216 T217 T222 V223 A224G216-P220 WeakPolarHBondContact O-CD 3.46Å; T217-P220 VanDerWaalsContact O-CD 3.28Å; T217-P220 WeakPolarHBondContact O-CD 3.49Å; T217-P220 VanDerWaalsContact O-CG 3.28Å; T217-P220 WeakPolarHBondContact O-CG 3.27Å; P220-T222 VanDerWaalsContact C-N 3.34Å; P220-T222 PolarHBondContact O-N 3.41Å; P220-V223 PolarHBondContact O-N 2.87Å; P220-A224 PolarHBondContact O-N 3.31Å
221D82.4Confident84.6Confident66 Ų6665 Ų6535%0.35338%0.377SS..Hα-helixtrans-65.7-38177.9-64-37.6000112.2I219 A224 S225I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.7Å; D221-A224 PolarHBondContact O-N 2.9Å; D221-S225 VanDerWaalsContact O-CB 3.3Å; D221-S225 WeakPolarHBondContact O-CB 3.25Å; D221-S225 PolarHBondContact O-N 3.5Å; D221-S225 PolarHBondContact O-OG 3.39Å
222T82.1Confident84.1Confident73 Ų7365.6 Ų65.645%0.44839%0.393SS..Hα-helixtrans-63.6-44.6174.2-60.20000110.7S218 I219 P220 S225 V226S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.23Å; S218-T222 PolarHBondContact O-N 3.05Å; S218-T222 PolarHBondContact O-OG1 2.98Å; I219-T222 WeakPolarHBondContact O-CB 3.43Å; I219-T222 PolarHBondContact O-N 3.47Å; P220-T222 VanDerWaalsContact C-N 3.34Å; P220-T222 PolarHBondContact O-N 3.41Å; T222-S225 PolarHBondContact O-N 3.48Å; T222-V226 HydrophobicContact CG2-CG2 4.31Å; T222-V226 WeakPolarHBondContact O-CB 3.43Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.31Å; T222-V226 PolarHBondContact O-N 3.33Å
223V83.6Confident83.8Confident72 Ų7264 Ų6444%0.43638%0.382SS..Hα-helixtrans-61.3-47.1178.1171.50000110.7I219 P220 S225 V226 M227I219-V223 WeakPolarHBondContact O-CG2 3.49Å; I219-V223 PolarHBondContact O-N 2.76Å; P220-V223 PolarHBondContact O-N 2.87Å; V223-S225 PolarHBondContact O-N 3.23Å; V223-V226 PolarHBondContact O-N 3.5Å; V223-M227 HydrophobicContact CG1-CE 3.6Å; V223-M227 HydrophobicContact CG1-SD 4.23Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 3.34Å
224A82.3Confident83.4Confident44 Ų4461.9 Ų61.936%0.36437%0.372SS..Hα-helixtrans-60.1-44.9176.600000111.7P220 D221 V226 M227 V228P220-A224 PolarHBondContact O-N 3.31Å; D221-A224 PolarHBondContact O-N 2.9Å; A224-V226 PolarHBondContact O-N 2.83Å; A224-M227 WeakPolarHBondContact O-CB 3.08Å; A224-M227 PolarHBondContact O-N 2.96Å; A224-V228 WeakPolarHBondContact O-CG2 3.49Å; A224-V228 PolarHBondContact O-N 2.93Å
225S86.4Confident83.1Confident3 Ų362.5 Ų62.52%0.02137%0.369CS..Hα-helixtrans-66.8-36.5179.9-55.40000112.2D221 T222 V223 V228 A229 A237 N240 I241D221-S225 VanDerWaalsContact O-CB 3.3Å; D221-S225 WeakPolarHBondContact O-CB 3.25Å; D221-S225 PolarHBondContact O-N 3.5Å; D221-S225 PolarHBondContact O-OG 3.39Å; T222-S225 PolarHBondContact O-N 3.48Å; V223-S225 PolarHBondContact O-N 3.23Å; S225-V228 PolarHBondContact O-N 3.3Å; S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.21Å; S225-A229 PolarHBondContact O-N 3.47Å; S225-A237 VanDerWaalsContact O-CB 3.26Å; S225-A237 WeakPolarHBondContact O-CB 3.35Å; S225-N240 PolarHBondContact OG-ND2 3.43Å; S225-I241 WeakPolarHBondContact OG-CG1 3.32Å
226V84.8Confident82.7Confident70 Ų7063.7 Ų63.742%0.42437%0.368SS..Hα-helixtrans-67-39.1174.3168.40000111.4T222 V223 A224 A229 R230T222-V226 HydrophobicContact CG2-CG2 4.31Å; T222-V226 WeakPolarHBondContact O-CB 3.43Å; T222-V226 VanDerWaalsContact O-CG2 3.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.31Å; T222-V226 PolarHBondContact O-N 3.33Å; V223-V226 PolarHBondContact O-N 3.5Å; A224-V226 PolarHBondContact O-N 2.83Å; V226-A229 PolarHBondContact O-N 3.47Å; V226-R230 WeakPolarHBondContact O-CG 3.39Å; V226-R230 PolarHBondContact O-N 3.39Å
227M81Confident82.7Confident86 Ų8662.2 Ų62.242%0.42435%0.353SS..Hα-helixtrans-60.8-49.9174.9-71.5172.7176.400110.9I126 V223 A224 A229 R230 E231I126-M227 HydrophobicContact CG2-SD 4.21Å; V223-M227 HydrophobicContact CG1-CE 3.6Å; V223-M227 HydrophobicContact CG1-SD 4.23Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 3.34Å; A224-M227 WeakPolarHBondContact O-CB 3.08Å; A224-M227 PolarHBondContact O-N 2.96Å; M227-A229 VanDerWaalsContact C-N 3.33Å; M227-A229 PolarHBondContact O-N 3.48Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 3.35Å; M227-R230 VanDerWaalsContact O-N 3.1Å; M227-E231 PolarHBondContact O-N 3.34Å
228V80.8Confident82.7Confident23 Ų2359.4 Ų59.414%0.13934%0.335CS..Hα-helixtrans-63.1-37.9177.9174.50000111.9A224 S225 R230 E231 K233 M236 A237A224-V228 WeakPolarHBondContact O-CG2 3.49Å; A224-V228 PolarHBondContact O-N 2.93Å; S225-V228 PolarHBondContact O-N 3.3Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 2.86Å; V228-E231 WeakPolarHBondContact O-CB 3.21Å; V228-E231 PolarHBondContact O-N 3.09Å; V228-K233 HydrophobicContact CG1-CB 3.66Å; V228-K233 HydrophobicContact CG1-CD 4.37Å; V228-K233 PolarHBondContact O-N 2.84Å; V228-M236 HydrophobicContact CG1-CB 3.91Å; V228-M236 HydrophobicContact CG1-CG 3.96Å; V228-M236 HydrophobicContact CG1-SD 3.89Å; V228-A237 HydrophobicContact CB-CB 4.48Å; V228-A237 HydrophobicContact CG1-CB 4.35Å
229A83.1Confident82.3Confident37 Ų3758.8 Ų58.831%0.30633%0.331SS..Hα-helixtrans-64.7-35.4174.900000112.4S225 V226 M227 E231 G232 A237S225-A229 VanDerWaalsContact O-CB 3.29Å; S225-A229 WeakPolarHBondContact O-CB 3.21Å; S225-A229 PolarHBondContact O-N 3.47Å; V226-A229 PolarHBondContact O-N 3.47Å; M227-A229 VanDerWaalsContact C-N 3.33Å; M227-A229 PolarHBondContact O-N 3.48Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.41Å; A229-G232 PolarHBondContact O-N 3.47Å; A229-A237 HydrophobicContact CB-CB 3.89Å
230R82.6Confident82.3Confident208 Ų20857.2 Ų57.279%0.78532%0.323SS*.Hα-helixtrans-67.2-27.2175.7-76.7178.6175.4-149.9-0.3113V226 M227 V228 G232V226-R230 WeakPolarHBondContact O-CG 3.39Å; V226-R230 PolarHBondContact O-N 3.39Å; M227-R230 WeakPolarHBondContact O-CB 3.49Å; M227-R230 PolarHBondContact O-N 3.35Å; M227-R230 VanDerWaalsContact O-N 3.1Å; V228-R230 VanDerWaalsContact C-N 3.32Å; V228-R230 PolarHBondContact O-N 2.86Å; R230-G232 PolarHBondContact O-N 3.01Å
231E82.3Confident82.4Confident78 Ų7856.9 Ų56.936%0.36432%0.316SS..THydrogen-bonded Turntrans-75.72.9171.5-64175.7-169.300113.3I126 M227 V228 A229 K233I126-E231 WeakPolarHBondContact CG1-OE1 3.44Å; M227-E231 PolarHBondContact O-N 3.34Å; V228-E231 WeakPolarHBondContact O-CB 3.21Å; V228-E231 PolarHBondContact O-N 3.09Å; A229-E231 VanDerWaalsContact C-N 3.27Å; A229-E231 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 HydrophobicContact CB-CD 4.42Å; E231-K233 HydrophobicContact CB-CG 4.49Å; E231-K233 PolarHBondContact O-N 3.32Å; E231-K233 IonicContact OE2-NZ 2.75Å; E231-K233 PolarHBondContact OE2-NZ 3.11Å
232G79.3Confident82.4Confident59 Ų5954 Ų5461%0.60830%0.301SS*.THydrogen-bonded Turntrans80.67.6-178.100000114.1A229 R230 A234A229-G232 PolarHBondContact O-N 3.47Å; R230-G232 PolarHBondContact O-N 3.01Å; G232-A234 VanDerWaalsContact C-N 3.32Å; G232-A234 PolarHBondContact O-N 3.14Å
233K81Confident82.4Confident62 Ų6251 Ų5127%0.2729%0.285SS..  trans-93.454.2179.2-60.8170.2-172.4156.40111.2V228 E231 D235 M236 A237V228-K233 HydrophobicContact CG1-CB 3.66Å; V228-K233 HydrophobicContact CG1-CD 4.37Å; V228-K233 PolarHBondContact O-N 2.84Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 HydrophobicContact CB-CD 4.42Å; E231-K233 HydrophobicContact CB-CG 4.49Å; E231-K233 PolarHBondContact O-N 3.32Å; E231-K233 IonicContact OE2-NZ 2.75Å; E231-K233 PolarHBondContact OE2-NZ 3.11Å; K233-D235 VanDerWaalsContact C-N 3.29Å; K233-D235 PolarHBondContact O-N 3.24Å; K233-M236 HydrophobicContact CB-CB 4.23Å; K233-M236 HydrophobicContact CD-SD 4.48Å; K233-M236 PolarHBondContact O-N 3.43Å; K233-M236 VanDerWaalsContact O-N 3.14Å; K233-A237 PolarHBondContact O-N 3.43Å; K233-A237 VanDerWaalsContact O-N 3.12Å
234A82.1Confident82.4Confident5 Ų548.7 Ų48.74%0.04127%0.272CS..Hα-helixtrans-60.4-34.2-174.500000113.9G232 M236 A237 M238G232-A234 VanDerWaalsContact C-N 3.32Å; G232-A234 PolarHBondContact O-N 3.14Å; A234-M236 PolarHBondContact O-N 3.44Å; A234-A237 PolarHBondContact O-N 3.47Å; A234-M238 PolarHBondContact O-N 2.99Å
235D80.1Confident82.6Confident51 Ų5149.6 Ų49.627%0.27327%0.271SS..Hα-helixtrans-59.7-44.6174.6-80.2-22.4000112.8L5 T6 K233 M238 S239L5-D235 WeakPolarHBondContact CA-OD1 3.4Å; L5-D235 WeakPolarHBondContact CD2-OD1 3.44Å; T6-D235 WeakPolarHBondContact CB-OD2 3.4Å; T6-D235 VanDerWaalsContact CG2-OD2 3.27Å; T6-D235 WeakPolarHBondContact CG2-OD2 3.31Å; T6-D235 PolarHBondContact N-OD1 3.02Å; T6-D235 PolarHBondContact N-OD2 3.45Å; T6-D235 PolarHBondContact OG1-OD1 3.43Å; T6-D235 PolarHBondContact OG1-OD2 2.98Å; K233-D235 VanDerWaalsContact C-N 3.29Å; K233-D235 PolarHBondContact O-N 3.24Å; D235-M238 PolarHBondContact O-N 3.29Å; D235-S239 WeakPolarHBondContact O-CB 3.29Å; D235-S239 PolarHBondContact O-N 2.85Å
236M80.3Confident82.5Confident68 Ų6849.5 Ų49.534%0.33527%0.27SS..Hα-helixtrans-68.1-41.1179.3-175-179.8-72.400110.6V228 K233 A234 N240V228-M236 HydrophobicContact CG1-CB 3.91Å; V228-M236 HydrophobicContact CG1-CG 3.96Å; V228-M236 HydrophobicContact CG1-SD 3.89Å; K233-M236 HydrophobicContact CB-CB 4.23Å; K233-M236 HydrophobicContact CD-SD 4.48Å; K233-M236 PolarHBondContact O-N 3.43Å; K233-M236 VanDerWaalsContact O-N 3.14Å; A234-M236 PolarHBondContact O-N 3.44Å; M236-N240 WeakPolarHBondContact O-CB 3.14Å; M236-N240 PolarHBondContact O-N 2.88Å
237A84.1Confident82.4Confident5 Ų550.4 Ų50.44%0.04127%0.269CS..Hα-helixtrans-61.9-45.7176.100000112.1S225 V228 A229 K233 A234 N240 I241S225-A237 VanDerWaalsContact O-CB 3.26Å; S225-A237 WeakPolarHBondContact O-CB 3.35Å; V228-A237 HydrophobicContact CB-CB 4.48Å; V228-A237 HydrophobicContact CG1-CB 4.35Å; A229-A237 HydrophobicContact CB-CB 3.89Å; K233-A237 PolarHBondContact O-N 3.43Å; K233-A237 VanDerWaalsContact O-N 3.12Å; A234-A237 PolarHBondContact O-N 3.47Å; A237-N240 PolarHBondContact O-N 2.96Å; A237-I241 WeakPolarHBondContact O-CG1 3.43Å; A237-I241 PolarHBondContact O-N 3.35Å; A237-I241 VanDerWaalsContact O-N 3.16Å
238M84.4Confident82.7Confident18 Ų1849.9 Ų49.99%0.08927%0.268CS..Hα-helixtrans-67.9-40.4179-78.1-62-65.200112.8L5 L10 A234 D235 N240 I241 V242 L290 L301L5-M238 HydrophobicContact CD2-CB 3.92Å; L5-M238 HydrophobicContact CD2-CG 3.59Å; L10-M238 HydrophobicContact CD1-CB 4.39Å; L10-M238 HydrophobicContact CD1-CE 4Å; A234-M238 PolarHBondContact O-N 2.99Å; D235-M238 PolarHBondContact O-N 3.29Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.88Å; M238-I241 PolarHBondContact O-N 3.49Å; M238-V242 WeakPolarHBondContact O-CG2 3.17Å; M238-V242 PolarHBondContact O-N 3.35Å; M238-L290 HydrophobicContact CE-CD2 4.05Å; M238-L301 HydrophobicContact CG-CD1 4.28Å; M238-L301 HydrophobicContact SD-CD1 3.9Å
239S79.4Confident82.8Confident30 Ų3049.8 Ų49.821%0.2127%0.266CS..Hα-helixtrans-64.4-37.5176.9-176.30000111.7D13 D235 G243D13-S239 WeakPolarHBondContact OD2-CB 3.38Å; D13-S239 PolarHBondContact OD2-OG 3.4Å; D235-S239 WeakPolarHBondContact O-CB 3.29Å; D235-S239 PolarHBondContact O-N 2.85Å; S239-G243 WeakPolarHBondContact O-CA 3.49Å; S239-G243 PolarHBondContact O-N 3.42Å
240N83.2Confident82.8Confident68 Ų6848 Ų4836%0.36425%0.251SS..Hα-helixtrans-63.5-44.9174.6-172.449.2000112.5S225 M236 A237 M238 S244S225-N240 PolarHBondContact OG-ND2 3.43Å; M236-N240 WeakPolarHBondContact O-CB 3.14Å; M236-N240 PolarHBondContact O-N 2.88Å; A237-N240 PolarHBondContact O-N 2.96Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.88Å; N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 3.17Å; N240-S244 PolarHBondContact O-OG 3.18Å
241I84.7Confident82.8Confident68 Ų6840 Ų4035%0.34923%0.226SC..Hα-helixtrans-64.6-42.1179.8-66.7165.6000111.4S225 A237 M238 S244 N245S225-I241 WeakPolarHBondContact OG-CG1 3.32Å; A237-I241 WeakPolarHBondContact O-CG1 3.43Å; A237-I241 PolarHBondContact O-N 3.35Å; A237-I241 VanDerWaalsContact O-N 3.16Å; M238-I241 PolarHBondContact O-N 3.49Å; I241-S244 PolarHBondContact O-OG 2.86Å; I241-S244 VanDerWaalsContact O-OG 3.11Å; I241-N245 PolarHBondContact O-ND2 2.98Å
242V83.8Confident83Confident5 Ų540.1 Ų40.13%0.0323%0.229CC..Hα-helixtrans-75.7-42.8179.8-178.70000110.8L10 D13 M238 N245 V246 I287L10-V242 HydrophobicContact CD1-CG2 4.22Å; D13-V242 HydrophobicContact CB-CB 4.1Å; D13-V242 HydrophobicContact CB-CG1 3.68Å; M238-V242 WeakPolarHBondContact O-CG2 3.17Å; M238-V242 PolarHBondContact O-N 3.35Å; V242-N245 PolarHBondContact O-N 2.96Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 2.95Å; V242-I287 HydrophobicContact CG1-CD1 4.22Å
243G80.9Confident83.3Confident11 Ų1137.3 Ų37.311%0.11320%0.2CC..Hα-helixtrans-67.6-36.6-176.600000114.4S239 N245 V246 F247S239-G243 WeakPolarHBondContact O-CA 3.49Å; S239-G243 PolarHBondContact O-N 3.42Å; G243-N245 VanDerWaalsContact C-N 3.34Å; G243-N245 PolarHBondContact O-N 3.05Å; G243-V246 WeakPolarHBondContact O-CB 3.36Å; G243-V246 PolarHBondContact O-N 3.33Å; G243-F247 PolarHBondContact O-N 3.27Å
244S83.6Confident83.7Confident24 Ų2438.6 Ų38.617%0.16821%0.209CC..Hα-helixtrans-59.3-43.6174.2460000111.7N240 I241 V246 F247 D248N240-S244 WeakPolarHBondContact O-CB 3.31Å; N240-S244 PolarHBondContact O-N 3.17Å; N240-S244 PolarHBondContact O-OG 3.18Å; I241-S244 PolarHBondContact O-OG 2.86Å; I241-S244 VanDerWaalsContact O-OG 3.11Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.38Å; S244-F247 WeakPolarHBondContact O-CB 3.33Å; S244-F247 PolarHBondContact O-N 2.86Å; S244-D248 PolarHBondContact O-N 3.23Å
245N86.1Confident84Confident63 Ų6341.9 Ų41.934%0.33723%0.23SC..Hα-helixtrans-68.6-31.5177-59.6-20.3000112.9Y17 I241 V242 G243 M249Y17-N245 HydrophobicContact CD2-CB 4.18Å; Y17-N245 HydrophobicContact CE2-CB 3.62Å; I241-N245 PolarHBondContact O-ND2 2.98Å; V242-N245 PolarHBondContact O-N 2.96Å; G243-N245 VanDerWaalsContact C-N 3.34Å; G243-N245 PolarHBondContact O-N 3.05Å; N245-M249 WeakPolarHBondContact O-CB 3.37Å; N245-M249 PolarHBondContact O-N 3.49Å; N245-M249 VanDerWaalsContact O-N 3.11Å
246V84.7Confident84.3Confident0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-63.2-45.4171.5178.40000110.2A16 Y17 Y48 V242 G243 S244 M249 L250A16-V246 HydrophobicContact CB-CG1 4.44Å; Y17-V246 HydrophobicContact CD2-CG2 3.69Å; Y17-V246 HydrophobicContact CG-CG2 4.12Å; Y48-V246 HydrophobicContact CD1-CG1 4.24Å; Y48-V246 HydrophobicContact CD2-CG1 4.23Å; Y48-V246 HydrophobicContact CE1-CG1 3.99Å; Y48-V246 HydrophobicContact CE2-CG1 3.98Å; Y48-V246 HydrophobicContact CG-CG1 4.35Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 2.95Å; G243-V246 WeakPolarHBondContact O-CB 3.36Å; G243-V246 PolarHBondContact O-N 3.33Å; S244-V246 VanDerWaalsContact C-N 3.34Å; S244-V246 PolarHBondContact O-N 3.38Å; V246-M249 PolarHBondContact O-N 3.12Å; V246-L250 HydrophobicContact CG1-CD1 3.64Å; V246-L250 WeakPolarHBondContact O-CB 3.42Å; V246-L250 WeakPolarHBondContact O-CD1 3.43Å; V246-L250 WeakPolarHBondContact O-CG 3.25Å; V246-L250 PolarHBondContact O-N 2.82Å; V246-L250 VanDerWaalsContact O-N 3.12Å
247F83.3Confident84.8Confident90 Ų9041 Ų4140%0.39522%0.221SC..Hα-helixtrans-60.2-46.3177.2172.3-90.6000111.5Y45 G243 S244 M249 L250 C251Y45-F247 AromaticContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CD2 3.6Å; Y45-F247 HydrophobicContact CE2-CE2 4.12Å; Y45-F247 AromaticContact CZ-CD2 3.65Å; Y45-F247 AromaticContact CZ-CE2 3.7Å; Y45-F247 WeakPolarHBondContact OH-CD2 3.46Å; Y45-F247 WeakPolarHBondContact OH-CE2 3.49Å; G243-F247 PolarHBondContact O-N 3.27Å; S244-F247 WeakPolarHBondContact O-CB 3.33Å; S244-F247 PolarHBondContact O-N 2.86Å; F247-M249 PolarHBondContact O-N 2.7Å; F247-L250 PolarHBondContact O-N 3.42Å; F247-C251 VanDerWaalsContact CE1-SG 3.51Å; F247-C251 VanDerWaalsContact CE2-SG 3.54Å; F247-C251 WeakPolarHBondContact CZ-SG 3.49Å; F247-C251 WeakPolarHBondContact O-CB 3.41Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 2.72Å
248D86.1Confident85.1Confident75 Ų7544.7 Ų44.740%0.40124%0.239SC..Hα-helixtrans-60-46.1179-73.6-10.4000111.7S244 L250 C251 L252S244-D248 PolarHBondContact O-N 3.23Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.25Å; D248-C251 PolarHBondContact O-N 3.44Å; D248-L252 PolarHBondContact O-N 3.09Å
249M84.2Confident85.2Confident21 Ų2148.4 Ų48.410%0.10326%0.255CS..Hα-helixtrans-61-41.1179.7-161.972.8-157.700112.3V24 N245 V246 F247 L252V24-M249 HydrophobicContact CB-CE 3.41Å; V24-M249 VanDerWaalsContact CB-CE 3.41Å; V24-M249 HydrophobicContact CG1-CE 3.23Å; V24-M249 HydrophobicContact CG2-CE 3.49Å; V24-M249 VanDerWaalsContact CG2-CE 3.49Å; V24-M249 HydrophobicContact CG2-CG 4.13Å; N245-M249 WeakPolarHBondContact O-CB 3.37Å; N245-M249 PolarHBondContact O-N 3.49Å; N245-M249 VanDerWaalsContact O-N 3.11Å; V246-M249 PolarHBondContact O-N 3.12Å; F247-M249 PolarHBondContact O-N 2.7Å; M249-L252 HydrophobicContact CE-CD1 4.12Å; M249-L252 WeakPolarHBondContact O-CB 3.42Å; M249-L252 PolarHBondContact O-N 3.18Å; M249-L252 HydrophobicContact SD-CD1 4.13Å
250L82.8Confident85.5Confident0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-76.1-31.9-179.7-71.2168.5000111.8V44 Y45 Y48 V246 F247 D248 L252 G253V44-L250 HydrophobicContact CB-CD2 4.12Å; V44-L250 HydrophobicContact CG1-CD2 3.75Å; Y45-L250 HydrophobicContact CD2-CB 3.51Å; Y45-L250 HydrophobicContact CD2-CD1 3.72Å; Y45-L250 HydrophobicContact CD2-CG 4.21Å; Y45-L250 HydrophobicContact CE2-CB 4.45Å; Y45-L250 HydrophobicContact CG-CB 4Å; Y48-L250 HydrophobicContact CD1-CD1 4.25Å; Y48-L250 HydrophobicContact CG-CD1 4.29Å; V246-L250 HydrophobicContact CG1-CD1 3.64Å; V246-L250 WeakPolarHBondContact O-CB 3.42Å; V246-L250 WeakPolarHBondContact O-CD1 3.43Å; V246-L250 WeakPolarHBondContact O-CG 3.25Å; V246-L250 PolarHBondContact O-N 2.82Å; V246-L250 VanDerWaalsContact O-N 3.12Å; F247-L250 PolarHBondContact O-N 3.42Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 3.25Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.23Å; L250-G253 PolarHBondContact O-N 2.89Å; L250-G253 VanDerWaalsContact O-N 3.17Å
251C83.3Confident85.7Confident39 Ų3945.3 Ų45.326%0.26424%0.24SC..Hα-helixtrans-68.1-21.3174.1-74.80000113.3F247 D248 G253 L254 P255F247-C251 VanDerWaalsContact CE1-SG 3.51Å; F247-C251 VanDerWaalsContact CE2-SG 3.54Å; F247-C251 WeakPolarHBondContact CZ-SG 3.49Å; F247-C251 WeakPolarHBondContact O-CB 3.41Å; F247-C251 PolarHBondContact O-N 3.39Å; F247-C251 PolarHBondContact O-SG 2.72Å; D248-C251 PolarHBondContact O-N 3.44Å; C251-G253 PolarHBondContact O-N 3.13Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.86Å; C251-P255 WeakPolarHBondContact O-CD 3.26Å
252L84.9Confident85.8Confident80 Ų8049.7 Ų49.742%0.41926%0.257SS..THydrogen-bonded Turntrans-58.2-26.6170.1-66.9176.7000112.9D248 M249 L250 L254 P255D248-L252 PolarHBondContact O-N 3.09Å; M249-L252 HydrophobicContact CE-CD1 4.12Å; M249-L252 WeakPolarHBondContact O-CB 3.42Å; M249-L252 PolarHBondContact O-N 3.18Å; M249-L252 HydrophobicContact SD-CD1 4.13Å; L250-L252 VanDerWaalsContact C-N 3.26Å; L250-L252 PolarHBondContact O-N 3.23Å; L252-L254 PolarHBondContact O-N 3.5Å; L252-P255 WeakPolarHBondContact O-CD 3.4Å
253G86.8Confident85.8Confident0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-63.6-27.2173.900000113.3L250 C251 F257L250-G253 PolarHBondContact O-N 2.89Å; L250-G253 VanDerWaalsContact O-N 3.17Å; C251-G253 PolarHBondContact O-N 3.13Å; G253-F257 WeakPolarHBondContact O-CB 3.29Å; G253-F257 PolarHBondContact O-N 3.48Å
254L88.7Confident85.6Confident89 Ų8956.9 Ų56.947%0.46630%0.296SS..Hα-helixtrans-71.8-50-175.5-174.2144000112.8L42 C251 L252 W256 F257 I258L42-L254 HydrophobicContact CD2-CB 4.02Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.86Å; L252-L254 PolarHBondContact O-N 3.5Å; L254-W256 VanDerWaalsContact C-N 3.33Å; L254-W256 PolarHBondContact O-N 3.44Å; L254-F257 PolarHBondContact O-N 2.9Å; L254-I258 HydrophobicContact CD2-CD1 3.49Å; L254-I258 VanDerWaalsContact CD2-CD1 3.49Å; L254-I258 HydrophobicContact CD2-CG1 4.44Å; L254-I258 HydrophobicContact CG-CD1 4.14Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.9Å
255P88.8Confident85.1Confident74 Ų7459.9 Ų59.948%0.48131%0.314SS..Hα-helixtrans-57.7-41.9171.9-26.934.5000113.5C251 L252 I258 K259C251-P255 WeakPolarHBondContact O-CD 3.26Å; L252-P255 WeakPolarHBondContact O-CD 3.4Å; P255-I258 PolarHBondContact O-N 3.34Å; P255-K259 WeakPolarHBondContact O-CB 3.21Å; P255-K259 PolarHBondContact O-N 2.9Å
256W87.3Confident84.2Confident47 Ų4764.3 Ų64.318%0.17834%0.337CS..Hα-helixtrans-64.5-42.9176.8-69.3-11.9000112V24 I27 I28 V33 A38 L41 L254 K259 T260V24-W256 HydrophobicContact CG1-CH2 4.41Å; I27-W256 HydrophobicContact CG2-CZ3 4.23Å; I28-W256 HydrophobicContact CD1-CH2 4.01Å; I28-W256 HydrophobicContact CG1-CH2 3.91Å; V33-W256 HydrophobicContact CG1-CB 4.32Å; V33-W256 HydrophobicContact CG1-CD2 4.21Å; V33-W256 HydrophobicContact CG1-CE3 3.88Å; V33-W256 HydrophobicContact CG1-CG 4.43Å; V33-W256 HydrophobicContact CG2-CE3 4.3Å; V33-W256 HydrophobicContact CG2-CZ3 4.33Å; A38-W256 HydrophobicContact CB-CB 3.9Å; L41-W256 HydrophobicContact CD1-CE3 3.91Å; L41-W256 HydrophobicContact CD1-CZ3 3.82Å; L254-W256 VanDerWaalsContact C-N 3.33Å; L254-W256 PolarHBondContact O-N 3.44Å; W256-K259 PolarHBondContact O-N 3.38Å; W256-T260 WeakPolarHBondContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CG2 3.39Å; W256-T260 PolarHBondContact O-N 3.26Å; W256-T260 PolarHBondContact O-OG1 2.82Å
257F89.8Confident83.7Confident54 Ų5468.2 Ų68.224%0.23736%0.361CS..Hα-helixtrans-63.8-44.7176.8-179.3-102.5000111.1W35 A38 A39 L42 G253 L254 K259 T260 A261 F262W35-F257 HydrophobicContact CE3-CE2 4.5Å; A38-F257 HydrophobicContact CB-CB 3.86Å; A38-F257 HydrophobicContact CB-CD2 4.46Å; A39-F257 HydrophobicContact CB-CD2 3.99Å; A39-F257 HydrophobicContact CB-CE2 3.91Å; L42-F257 HydrophobicContact CD1-CB 3.79Å; L42-F257 HydrophobicContact CD1-CD1 3.81Å; L42-F257 HydrophobicContact CD1-CD2 4.24Å; L42-F257 HydrophobicContact CD1-CE1 4.48Å; L42-F257 HydrophobicContact CD1-CG 3.67Å; G253-F257 WeakPolarHBondContact O-CB 3.29Å; G253-F257 PolarHBondContact O-N 3.48Å; L254-F257 PolarHBondContact O-N 2.9Å; F257-K259 PolarHBondContact O-N 3.49Å; F257-T260 PolarHBondContact O-N 3.41Å; F257-T260 PolarHBondContact O-OG1 3.49Å; F257-A261 HydrophobicContact CD2-CB 4.33Å; F257-A261 HydrophobicContact CE1-CB 4.26Å; F257-A261 HydrophobicContact CE2-CB 4.05Å; F257-A261 HydrophobicContact CZ-CB 4.02Å; F257-A261 WeakPolarHBondContact O-CA 3.35Å; F257-A261 WeakPolarHBondContact O-CB 3.36Å; F257-A261 PolarHBondContact O-N 3.07Å; F257-F262 HydrophobicContact CE1-CE2 4.26Å
258I89.5Confident83.5Confident82 Ų8265.7 Ų65.742%0.42135%0.354SS..Hα-helixtrans-61.2-46.5178.3-68.9171.1000110.7L254 P255 F262L254-I258 HydrophobicContact CD2-CD1 3.49Å; L254-I258 VanDerWaalsContact CD2-CD1 3.49Å; L254-I258 HydrophobicContact CD2-CG1 4.44Å; L254-I258 HydrophobicContact CG-CD1 4.14Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.33Å; L254-I258 PolarHBondContact O-N 2.9Å; P255-I258 PolarHBondContact O-N 3.34Å; I258-F262 WeakPolarHBondContact O-CB 3.13Å; I258-F262 PolarHBondContact O-N 2.87Å
259K87Confident83.2Confident97 Ų9763 Ų6342%0.42234%0.34SS..Iπ-helixtrans-62.8-49.7179.7-174.1172.8177.7-175.40111.8P255 W256 F257 V263 D264 V269P255-K259 WeakPolarHBondContact O-CB 3.21Å; P255-K259 PolarHBondContact O-N 2.9Å; W256-K259 PolarHBondContact O-N 3.38Å; F257-K259 PolarHBondContact O-N 3.49Å; K259-V263 WeakPolarHBondContact O-CB 3.31Å; K259-V263 PolarHBondContact O-N 3.03Å; K259-D264 PolarHBondContact O-N 3.37Å; K259-V269 HydrophobicContact CD-CG2 3.71Å; K259-V269 HydrophobicContact CG-CG2 4.05Å
260T86.6Confident82.8Confident3 Ų369.4 Ų69.42%0.01837%0.37CS..Iπ-helixtrans-77.4-26.1-176.254.80000114.1W35 W256 F257 T265 V269W35-T260 VanDerWaalsContact CA-OG1 3.31Å; W35-T260 WeakPolarHBondContact CA-OG1 3.22Å; W256-T260 WeakPolarHBondContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CG2 3.39Å; W256-T260 PolarHBondContact O-N 3.26Å; W256-T260 PolarHBondContact O-OG1 2.82Å; F257-T260 PolarHBondContact O-N 3.41Å; F257-T260 PolarHBondContact O-OG1 3.49Å; T260-T265 VanDerWaalsContact O-CA 3.28Å; T260-T265 WeakPolarHBondContact O-CA 3.25Å; T260-V269 HydrophobicContact CG2-CG2 3.66Å
261A87.5Confident82.4Confident29 Ų2970.4 Ų70.424%0.2438%0.376CS..Iπ-helixtrans-91.5-40.7-179.200000112.9F257 T265F257-A261 HydrophobicContact CD2-CB 4.33Å; F257-A261 HydrophobicContact CE1-CB 4.26Å; F257-A261 HydrophobicContact CE2-CB 4.05Å; F257-A261 HydrophobicContact CZ-CB 4.02Å; F257-A261 WeakPolarHBondContact O-CA 3.35Å; F257-A261 WeakPolarHBondContact O-CB 3.36Å; F257-A261 PolarHBondContact O-N 3.07Å; A261-T265 PolarHBondContact O-OG1 3.38Å
262F86.4Confident81.6Confident160 Ų16074.9 Ų74.970%0.70240%0.397SS*.Iπ-helixtrans-106.8-28.1-171.1-67.5-79.5000115F257 I258F257-F262 HydrophobicContact CE1-CE2 4.26Å; I258-F262 WeakPolarHBondContact O-CB 3.13Å; I258-F262 PolarHBondContact O-N 2.87Å
263V83.3Confident80.4Confident101 Ų10171.6 Ų71.661%0.61238%0.381SS*.Iπ-helixtrans-98.1-54.5-177.3-173.10000110.2K259K259-V263 WeakPolarHBondContact O-CB 3.31Å; K259-V263 PolarHBondContact O-N 3.03Å
264D77.6Confident79.5Confident66 Ų6674.9 Ų74.935%0.35340%0.401SS..  trans-127.869.4-167.3-71.5-36.8000111.4K259 N266 T267K259-D264 PolarHBondContact O-N 3.37Å; D264-N266 PolarHBondContact O-N 2.91Å; D264-N266 VanDerWaalsContact O-N 3.12Å; D264-T267 WeakPolarHBondContact CB-OG1 3.3Å
265T72.1Confident78.5Confident88 Ų8871.2 Ų71.254%0.5438%0.384SS..THydrogen-bonded Turntrans-60.3-26.8-169.9-44.60000115T260 A261T260-T265 VanDerWaalsContact O-CA 3.28Å; T260-T265 WeakPolarHBondContact O-CA 3.25Å; A261-T265 PolarHBondContact O-OG1 3.38Å
266N67Low77.7Confident156 Ų15670.2 Ų70.283%0.83438%0.375SS*.THydrogen-bonded Turntrans-116.7-3.4-172.1-72.9-12.7000114.7D264D264-N266 PolarHBondContact O-N 2.91Å; D264-N266 VanDerWaalsContact O-N 3.12Å
267T75.4Confident77.2Confident81 Ų8171.3 Ų71.350%0.49738%0.384SS..SBendtrans-112.2119.8179.151.50000109.7D264D264-T267 WeakPolarHBondContact CB-OG1 3.3Å
268P77.9Confident76.6Confident38 Ų3872 Ų7225%0.24739%0.387CS..  trans-63.7146.2176.427.2-32.5000109.9K32 F34 E270K32-P268 HydrophobicContact CB-CB 3.9Å; K32-P268 HydrophobicContact CB-CG 4.37Å; K32-P268 HydrophobicContact CD-CB 4.49Å; K32-P268 HydrophobicContact CD-CG 4.06Å; K32-P268 HydrophobicContact CG-CB 4.24Å; K32-P268 HydrophobicContact CG-CG 4.24Å; F34-P268 HydrophobicContact CD1-CB 4.25Å; F34-P268 HydrophobicContact CE1-CB 4Å; F34-P268 HydrophobicContact CE1-CG 4.3Å; F34-P268 HydrophobicContact CZ-CB 4.16Å; F34-P268 HydrophobicContact CZ-CG 4.4Å; P268-E270 PolarHBondContact O-N 2.91Å
269V80.2Confident76.2Confident18 Ų1869.1 Ų69.111%0.10937%0.372CS..EExtended strand (participates in β ladder)trans-76.8115.8172.3177.10000107.4V33 K259 T260 V271V33-V269 PolarHBondContact N-O 3.23Å; V33-V269 PolarHBondContact O-N 2.91Å; V33-V269 VanDerWaalsContact O-N 3.16Å; K259-V269 HydrophobicContact CD-CG2 3.71Å; K259-V269 HydrophobicContact CG-CG2 4.05Å; T260-V269 HydrophobicContact CG2-CG2 3.66Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-V271 PolarHBondContact O-N 3.44Å
270E76.3Confident75.8Confident155 Ų15564.7 Ų64.772%0.72435%0.353SS*.EExtended strand (participates in β ladder)trans-75120.3175.7-63.6-167.3163.300109.8N31 P268N31-E270 CarbonylContact O-C 3.6Å; N31-E270 VanDerWaalsContact O-CA 3.31Å; N31-E270 WeakPolarHBondContact O-CA 3.23Å; P268-E270 PolarHBondContact O-N 2.91Å
271V73.1Confident75.6Confident21 Ų2166.9 Ų66.913%0.12737%0.371CS..  trans-117114.8178.3-174.40000107.4I28 N31 V33 V269 S273 L276I28-V271 HydrophobicContact CG2-CG1 4.45Å; N31-V271 WeakPolarHBondContact CA-O 3.42Å; N31-V271 WeakPolarHBondContact CB-O 3.21Å; N31-V271 PolarHBondContact O-N 3.23Å; N31-V271 PolarHBondContact OD1-O 3.39Å; N31-V271 VanDerWaalsContact OD1-O 3.06Å; V33-V271 HydrophobicContact CG2-CG2 3.84Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-V271 PolarHBondContact O-N 3.44Å; V271-S273 PolarHBondContact O-N 3.45Å; V271-L276 HydrophobicContact CG1-CD2 3.29Å
272N67.3Low75.4Confident133 Ų13366.4 Ų66.471%0.71137%0.365SS*.  trans-66.1108.3178.8-173.65.2000109.4
273S60.4Low75.3Confident11 Ų1161.7 Ų61.78%0.07735%0.347CS..Hα-helixtrans-87.1-13-164.660.70000114.9N31 V271 G275 L276 I277N31-S273 PolarHBondContact ND2-OG 3.05Å; N31-S273 WeakPolarHBondContact OD1-CB 3.44Å; N31-S273 PolarHBondContact OD1-N 2.92Å; N31-S273 PolarHBondContact OD1-OG 3.42Å; V271-S273 PolarHBondContact O-N 3.45Å; S273-G275 PolarHBondContact O-N 2.73Å; S273-L276 PolarHBondContact O-N 2.94Å; S273-I277 VanDerWaalsContact O-CB 3.31Å; S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.41Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 3.3Å
274T66.8Low75.5Confident70 Ų7060 Ų6043%0.42933%0.334SS..Hα-helixtrans-63.5-46.4-174.5-420000112.6
275G67.3Low76Confident11 Ų1161.2 Ų61.211%0.11334%0.34CS..Hα-helixtrans-73.6-37.5174.300000112.8S273 F278 I279S273-G275 PolarHBondContact O-N 2.73Å; G275-F278 WeakPolarHBondContact O-CB 3.37Å; G275-F278 PolarHBondContact O-N 3.34Å; G275-I279 WeakPolarHBondContact O-CG1 3.25Å; G275-I279 PolarHBondContact O-N 2.87Å
276L72.3Confident76.7Confident54 Ų5458.9 Ų58.928%0.28333%0.328SS..Hα-helixtrans-74.7-33.5-172-150.965000113.1I28 V271 S273 F278 I279 S280I28-L276 HydrophobicContact CD1-CD2 3.53Å; I28-L276 HydrophobicContact CD1-CG 4.01Å; I28-L276 HydrophobicContact CG1-CD2 4.1Å; I28-L276 HydrophobicContact CG2-CB 4.26Å; I28-L276 HydrophobicContact CG2-CD2 3.92Å; I28-L276 HydrophobicContact CG2-CG 4.41Å; V271-L276 HydrophobicContact CG1-CD2 3.29Å; S273-L276 PolarHBondContact O-N 2.94Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-I279 PolarHBondContact O-N 2.95Å; L276-S280 WeakPolarHBondContact O-CB 3.27Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-S280 PolarHBondContact O-OG 3.49Å
277I77Confident77.7Confident70 Ų7052.2 Ų52.236%0.35929%0.292SS..Hα-helixtrans-63.7-41.4171.2-68.7164.8000110.1S273 S280 A281S273-I277 VanDerWaalsContact O-CB 3.31Å; S273-I277 WeakPolarHBondContact O-CB 3.42Å; S273-I277 WeakPolarHBondContact O-CD1 3.41Å; S273-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 3.3Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-OG 3.24Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 2.93Å
278F78.6Confident78.3Confident68 Ų6852 Ų5230%0.29829%0.29SS..Hα-helixtrans-65.2-45177.9-177.6-94.8000112.1G275 L276 A281 T282 Y323G275-F278 WeakPolarHBondContact O-CB 3.37Å; G275-F278 PolarHBondContact O-N 3.34Å; L276-F278 VanDerWaalsContact C-N 3.33Å; F278-A281 PolarHBondContact O-N 3.37Å; F278-T282 WeakPolarHBondContact O-CB 3.19Å; F278-T282 PolarHBondContact O-N 2.9Å; F278-T282 PolarHBondContact O-OG1 3.46Å; F278-Y323 HydrophobicContact CB-CD1 4.16Å; F278-Y323 HydrophobicContact CB-CE1 3.77Å; F278-Y323 AromaticContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD2 4.47Å; F278-Y323 HydrophobicContact CD1-CE1 4.12Å; F278-Y323 AromaticContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD2-CD2 4.38Å; F278-Y323 HydrophobicContact CD2-CE1 4.46Å; F278-Y323 HydrophobicContact CD2-CE2 4.3Å; F278-Y323 HydrophobicContact CE1-CD1 4.17Å; F278-Y323 HydrophobicContact CE1-CD2 4.44Å; F278-Y323 AromaticContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE2-CD2 4.34Å; F278-Y323 AromaticContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD2 4.45Å; F278-Y323 AromaticContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE2 4.45Å; F278-Y323 HydrophobicContact CG-CG 4.15Å; F278-Y323 HydrophobicContact CZ-CD2 4.37Å; F278-Y323 HydrophobicContact CZ-CG 4.27Å
279I79.4Confident78.8Confident21 Ų2153.3 Ų53.311%0.10829%0.292CS..Hα-helixtrans-61.9-48.8177.6-67.9163.1000110.6T206 L210 G275 L276 A281 T282 L283T206-I279 HydrophobicContact CG2-CD1 4.09Å; L210-I279 HydrophobicContact CD1-CD1 3.93Å; L210-I279 HydrophobicContact CD1-CG1 4.45Å; L210-I279 HydrophobicContact CD2-CG2 4.23Å; G275-I279 WeakPolarHBondContact O-CG1 3.25Å; G275-I279 PolarHBondContact O-N 2.87Å; L276-I279 PolarHBondContact O-N 2.95Å; I279-A281 PolarHBondContact O-N 3.44Å; I279-T282 PolarHBondContact O-N 3.37Å; I279-L283 HydrophobicContact CG2-CD1 4.2Å; I279-L283 WeakPolarHBondContact O-CG 3.28Å; I279-L283 PolarHBondContact O-N 3.08Å
280S79.9Confident79.1Confident5 Ų554.9 Ų54.94%0.03530%0.3CS..Hα-helixtrans-65.3-37.5179.554.20000113I25 L276 I277 L283 L284I25-S280 WeakPolarHBondContact CG1-OG 3.41Å; L276-S280 WeakPolarHBondContact O-CB 3.27Å; L276-S280 PolarHBondContact O-N 3.49Å; L276-S280 PolarHBondContact O-OG 3.49Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-OG 3.24Å; S280-L283 PolarHBondContact O-N 3.22Å; S280-L284 PolarHBondContact O-N 3.4Å
281A82.3Confident79.7Confident48 Ų4850.1 Ų50.140%0.39728%0.277SS..Hα-helixtrans-64-40.717200000112.2I277 F278 I279 L283 L284 L285I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 2.93Å; F278-A281 PolarHBondContact O-N 3.37Å; I279-A281 PolarHBondContact O-N 3.44Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L284 PolarHBondContact O-N 3.46Å; A281-L285 PolarHBondContact O-N 2.98Å
282T82.8Confident80.4Confident19 Ų1952.4 Ų52.412%0.11729%0.29CS..Hα-helixtrans-66.7-36.5176.8-56.30000111.6F278 I279 L285 S286 F316F278-T282 WeakPolarHBondContact O-CB 3.19Å; F278-T282 PolarHBondContact O-N 2.9Å; F278-T282 PolarHBondContact O-OG1 3.46Å; I279-T282 PolarHBondContact O-N 3.37Å; T282-L285 PolarHBondContact O-N 3.48Å; T282-S286 PolarHBondContact O-N 3.02Å; T282-F316 HydrophobicContact CG2-CB 4.23Å; T282-F316 HydrophobicContact CG2-CD1 4.06Å; T282-F316 HydrophobicContact CG2-CG 4.36Å
283L84.8Confident81.4Confident62 Ų6246.8 Ų46.833%0.32526%0.263SS..Hα-helixtrans-65.3-37.8172.6-72.5172.7000112.7I279 S280 A281 S286 I287I279-L283 HydrophobicContact CG2-CD1 4.2Å; I279-L283 WeakPolarHBondContact O-CG 3.28Å; I279-L283 PolarHBondContact O-N 3.08Å; S280-L283 PolarHBondContact O-N 3.22Å; A281-L283 VanDerWaalsContact C-N 3.35Å; L283-S286 PolarHBondContact O-OG 2.9Å; L283-I287 PolarHBondContact O-N 3.43Å
284L86.8Confident82.6Confident65 Ų6546.5 Ų46.534%0.3426%0.26SS..Hα-helixtrans-67.6-40.4173.7-169.8145.9000111.2V21 I25 S280 A281 S286 I287 V288V21-L284 HydrophobicContact CG1-CB 3.98Å; V21-L284 HydrophobicContact CG1-CD1 4.23Å; I25-L284 HydrophobicContact CD1-CD1 4.49Å; S280-L284 PolarHBondContact O-N 3.4Å; A281-L284 PolarHBondContact O-N 3.46Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 2.91Å; L284-I287 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 HydrophobicContact CD2-CG2 4.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.46Å
285L87.8Confident83.5Confident91 Ų9147.9 Ų47.948%0.47626%0.262SS..Hα-helixtrans-63.7-39.9176.6-17862.6000111.9A281 T282 V288 F289 F316A281-L285 PolarHBondContact O-N 2.98Å; T282-L285 PolarHBondContact O-N 3.48Å; L285-V288 PolarHBondContact O-N 2.99Å; L285-F289 VanDerWaalsContact O-CB 3.3Å; L285-F289 WeakPolarHBondContact O-CB 3.04Å; L285-F289 PolarHBondContact O-N 3.21Å; L285-F316 HydrophobicContact CD2-CE1 3.74Å; L285-F316 HydrophobicContact CD2-CZ 3.93Å; L285-F316 HydrophobicContact CG-CE1 4.49Å; L285-F316 HydrophobicContact CG-CZ 4.27Å
286S86.9Confident84.4Confident40 Ų4053.8 Ų53.828%0.2829%0.289SS..Hα-helixtrans-66.1-38.6-177.8730000112.7T282 L283 L284 F289 L290T282-S286 PolarHBondContact O-N 3.02Å; L283-S286 PolarHBondContact O-OG 2.9Å; L284-S286 VanDerWaalsContact C-N 3.34Å; L284-S286 PolarHBondContact O-N 2.91Å; S286-F289 PolarHBondContact O-N 3.46Å; S286-L290 WeakPolarHBondContact O-CB 3.29Å; S286-L290 PolarHBondContact O-N 2.89Å
287I87.4Confident85.1Confident16 Ų1653.7 Ų53.78%0.08229%0.289CS..Hα-helixtrans-71-38.8176.7-169.363.1000112C14 Y17 V242 L283 L284 F289 L290 F291C14-I287 HydrophobicContact CB-CD1 4.38Å; C14-I287 HydrophobicContact CB-CG1 4.22Å; Y17-I287 HydrophobicContact CD1-CB 3.83Å; Y17-I287 HydrophobicContact CD1-CG1 3.86Å; Y17-I287 HydrophobicContact CD1-CG2 3.67Å; Y17-I287 HydrophobicContact CE1-CB 3.92Å; Y17-I287 HydrophobicContact CE1-CG1 4.4Å; Y17-I287 HydrophobicContact CE1-CG2 3.84Å; Y17-I287 HydrophobicContact CG-CG1 4.23Å; V242-I287 HydrophobicContact CG1-CD1 4.22Å; L283-I287 PolarHBondContact O-N 3.43Å; L284-I287 WeakPolarHBondContact O-CG2 3.42Å; I287-F289 VanDerWaalsContact C-N 3.33Å; I287-L290 PolarHBondContact O-N 2.8Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 2.96Å
288V88.3Confident85.3Confident75 Ų7552.6 Ų52.646%0.45530%0.295SS..Hα-helixtrans-63.2-44.8174.8172.10000109.6L284 L285 L290 F291 V292L284-V288 HydrophobicContact CD2-CG2 4.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.28Å; L284-V288 PolarHBondContact O-N 3.46Å; L285-V288 PolarHBondContact O-N 2.99Å; V288-L290 PolarHBondContact O-N 2.91Å; V288-F291 PolarHBondContact O-N 2.81Å; V288-V292 HydrophobicContact CG1-CG2 4.38Å; V288-V292 WeakPolarHBondContact O-CB 3.36Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.31Å; V288-V292 PolarHBondContact O-N 2.86Å
289F89.3Confident85.5Confident67 Ų6750.7 Ų50.729%0.29429%0.286SS..Hα-helixtrans-58.3-47.2174.5173.1-96.3000111.8L285 S286 I287 F291 V292 A293 V308 C312L285-F289 VanDerWaalsContact O-CB 3.3Å; L285-F289 WeakPolarHBondContact O-CB 3.04Å; L285-F289 PolarHBondContact O-N 3.21Å; S286-F289 PolarHBondContact O-N 3.46Å; I287-F289 VanDerWaalsContact C-N 3.33Å; F289-F291 PolarHBondContact O-N 3.25Å; F289-V292 PolarHBondContact O-N 2.91Å; F289-A293 HydrophobicContact CE1-CB 4.47Å; F289-A293 HydrophobicContact CZ-CB 4.48Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.12Å; F289-V308 HydrophobicContact CZ-CG1 4.14Å; F289-C312 HydrophobicContact CD1-CB 4.39Å; F289-C312 HydrophobicContact CE1-CB 3.7Å; F289-C312 HydrophobicContact CZ-CB 3.92Å; F289-C312 WeakPolarHBondContact CZ-SG 3.37Å
290L87.2Confident85.6Confident51 Ų5155.7 Ų55.727%0.26730%0.303SS..Hα-helixtrans-59.3-48.1178.2-177153.5000111.3M238 S286 I287 V288 V292 A293 V294M238-L290 HydrophobicContact CE-CD2 4.05Å; S286-L290 WeakPolarHBondContact O-CB 3.29Å; S286-L290 PolarHBondContact O-N 2.89Å; I287-L290 PolarHBondContact O-N 2.8Å; V288-L290 PolarHBondContact O-N 2.91Å; L290-V292 PolarHBondContact O-N 2.66Å; L290-A293 PolarHBondContact O-N 2.88Å; L290-V294 HydrophobicContact CD2-CG2 4.25Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.45Å
291F87.3Confident85.6Confident55 Ų5557.9 Ų57.924%0.24131%0.314CS..Hα-helixtrans-60.8-46.3179.3-177-96.7000111.7F11 C14 I287 V288 F289 V294 H295 W299F11-F291 HydrophobicContact CB-CE2 4.25Å; F11-F291 AromaticContact CD2-CE2 3.92Å; F11-F291 HydrophobicContact CD2-CE2 3.92Å; F11-F291 AromaticContact CD2-CZ 3.87Å; F11-F291 HydrophobicContact CD2-CZ 3.87Å; C14-F291 HydrophobicContact CB-CD2 4.34Å; I287-F291 WeakPolarHBondContact O-CB 3.48Å; I287-F291 PolarHBondContact O-N 2.96Å; V288-F291 PolarHBondContact O-N 2.81Å; F289-F291 PolarHBondContact O-N 3.25Å; F291-V294 PolarHBondContact O-N 3.28Å; F291-H295 WeakPolarHBondContact O-CB 3.41Å; F291-H295 PolarHBondContact O-N 3.45Å; F291-W299 HydrophobicContact CE2-CH2 4.1Å; F291-W299 HydrophobicContact CZ-CH2 4.41Å
292V88.1Confident85.9Confident68 Ų6858 Ų5841%0.41231%0.308SS..Hα-helixtrans-63.9-43.1177.51710000111.2V288 F289 L290 V294 H295 I296V288-V292 HydrophobicContact CG1-CG2 4.38Å; V288-V292 WeakPolarHBondContact O-CB 3.36Å; V288-V292 VanDerWaalsContact O-CG2 3.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.31Å; V288-V292 PolarHBondContact O-N 2.86Å; F289-V292 PolarHBondContact O-N 2.91Å; L290-V292 PolarHBondContact O-N 2.66Å; V292-V294 PolarHBondContact O-N 3.12Å; V292-H295 PolarHBondContact O-N 3.45Å; V292-I296 HydrophobicContact CG1-CD1 3.59Å; V292-I296 HydrophobicContact CG1-CG1 4.22Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.47Å; V292-I296 PolarHBondContact O-N 3.13Å
293A88Confident86Confident16 Ų1665.9 Ų65.913%0.13234%0.336CS..Hα-helixtrans-63.2-41.4179.500000111.8F289 L290 N297 L305F289-A293 HydrophobicContact CE1-CB 4.47Å; F289-A293 HydrophobicContact CZ-CB 4.48Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.12Å; L290-A293 PolarHBondContact O-N 2.88Å; A293-N297 WeakPolarHBondContact O-CB 3.26Å; A293-N297 PolarHBondContact O-N 2.91Å; A293-L305 HydrophobicContact CB-CD1 3.69Å
294V86Confident86.3Confident4 Ų469.4 Ų69.42%0.02435%0.349CS..Hα-helixtrans-65-41.1174172.90000111.3L5 L10 L290 F291 V292 N297 G298 W299 L305L5-V294 HydrophobicContact CD1-CG1 3.88Å; L10-V294 HydrophobicContact CD2-CB 4.27Å; L10-V294 HydrophobicContact CD2-CG1 3.79Å; L10-V294 HydrophobicContact CD2-CG2 4.37Å; L290-V294 HydrophobicContact CD2-CG2 4.25Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.45Å; F291-V294 PolarHBondContact O-N 3.28Å; V292-V294 PolarHBondContact O-N 3.12Å; V294-N297 CarbonylContact O-C 3.6Å; V294-N297 PolarHBondContact O-N 3.27Å; V294-G298 PolarHBondContact O-N 3.16Å; V294-W299 HydrophobicContact CG1-CE3 4.02Å; V294-W299 HydrophobicContact CG1-CZ3 4.33Å; V294-W299 PolarHBondContact O-N 2.91Å; V294-W299 VanDerWaalsContact O-N 3.09Å; V294-L305 HydrophobicContact CG2-CD2 4.01Å
295H85.8Confident86.4Confident99 Ų9967.1 Ų67.146%0.45834%0.337SS..Hα-helixtrans-64.9-44.8178.5-172.8-85.6000112F291 V292 N297 G298 W299F291-H295 WeakPolarHBondContact O-CB 3.41Å; F291-H295 PolarHBondContact O-N 3.45Å; V292-H295 PolarHBondContact O-N 3.45Å; H295-N297 VanDerWaalsContact C-N 3.28Å; H295-N297 PolarHBondContact O-N 3.29Å; H295-G298 PolarHBondContact O-N 3.44Å; H295-G298 VanDerWaalsContact O-N 3.11Å; H295-W299 AromaticContact CD2-CZ2 3.93Å; H295-W299 AromaticContact CD2-NE1 3.85Å
296I87.3Confident86.5Confident135 Ų13564.5 Ų64.569%0.69233%0.332SS*.Hα-helixtrans-63.7-36.3176.2-67.2169000110.8V292 G298V292-I296 HydrophobicContact CG1-CD1 3.59Å; V292-I296 HydrophobicContact CG1-CG1 4.22Å; V292-I296 VanDerWaalsContact O-CG1 3.28Å; V292-I296 WeakPolarHBondContact O-CG1 3.47Å; V292-I296 PolarHBondContact O-N 3.13Å; I296-G298 PolarHBondContact O-N 3.33Å; I296-G298 VanDerWaalsContact O-N 3.14Å
297N85.8Confident86.7Confident53 Ų5366.3 Ų66.328%0.28334%0.338SS..THydrogen-bonded Turntrans-78.213.2176.7-153.152.2000113.7A293 V294 H295 W299 R300 D302 L305A293-N297 WeakPolarHBondContact O-CB 3.26Å; A293-N297 PolarHBondContact O-N 2.91Å; V294-N297 CarbonylContact O-C 3.6Å; V294-N297 PolarHBondContact O-N 3.27Å; H295-N297 VanDerWaalsContact C-N 3.28Å; H295-N297 PolarHBondContact O-N 3.29Å; N297-W299 VanDerWaalsContact C-N 3.32Å; N297-W299 PolarHBondContact O-N 3.09Å; N297-R300 PolarHBondContact ND2-O 2.94Å; N297-R300 PolarHBondContact O-N 3.38Å; N297-D302 PolarHBondContact ND2-OD2 3.39Å; N297-L305 HydrophobicContact CB-CD2 4.39Å
298G81.9Confident86.9Confident46 Ų4669.1 Ų69.147%0.47436%0.355SS..THydrogen-bonded Turntrans63.13617400000113.5V294 H295 I296 R300V294-G298 PolarHBondContact O-N 3.16Å; H295-G298 PolarHBondContact O-N 3.44Å; H295-G298 VanDerWaalsContact O-N 3.11Å; I296-G298 PolarHBondContact O-N 3.33Å; I296-G298 VanDerWaalsContact O-N 3.14Å; G298-R300 PolarHBondContact O-N 3.13Å
299W81.6Confident86.9Confident29 Ų2968.2 Ų68.211%0.1135%0.352CS..THydrogen-bonded Turntrans60.628.5179-5786.5000113.9L5 C7 L10 F291 V294 H295 N297L5-W299 HydrophobicContact CB-CB 4.46Å; L5-W299 HydrophobicContact CB-CE3 4.32Å; L5-W299 WeakPolarHBondContact CB-O 3.32Å; L5-W299 PolarHBondContact N-O 3.23Å; C7-W299 HydrophobicContact CB-CD2 4.26Å; C7-W299 HydrophobicContact CB-CE3 4.09Å; C7-W299 HydrophobicContact CB-CH2 3.58Å; C7-W299 HydrophobicContact CB-CZ2 3.73Å; C7-W299 HydrophobicContact CB-CZ3 3.79Å; C7-W299 WeakPolarHBondContact SG-CH2 3.45Å; C7-W299 WeakPolarHBondContact SG-CZ2 3.29Å; L10-W299 HydrophobicContact CB-CZ3 4.38Å; L10-W299 HydrophobicContact CD2-CZ3 3.79Å; F291-W299 HydrophobicContact CE2-CH2 4.1Å; F291-W299 HydrophobicContact CZ-CH2 4.41Å; V294-W299 HydrophobicContact CG1-CE3 4.02Å; V294-W299 HydrophobicContact CG1-CZ3 4.33Å; V294-W299 PolarHBondContact O-N 2.91Å; V294-W299 VanDerWaalsContact O-N 3.09Å; H295-W299 AromaticContact CD2-CZ2 3.93Å; H295-W299 AromaticContact CD2-NE1 3.85Å; N297-W299 VanDerWaalsContact C-N 3.32Å; N297-W299 PolarHBondContact O-N 3.09Å
300R81.4Confident87Confident125 Ų12569.7 Ų69.747%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-109.6133.8172.5-64.6-175.2178.6-167.8-1109.8N297 G298 D302N297-R300 PolarHBondContact ND2-O 2.94Å; N297-R300 PolarHBondContact O-N 3.38Å; G298-R300 PolarHBondContact O-N 3.13Å; R300-D302 PolarHBondContact O-N 2.91Å
301L81.6Confident87.3Confident52 Ų5272.3 Ų72.327%0.27238%0.376SS..EExtended strand (participates in β ladder)trans-90.391.9173.3-159.781.7000108.8G3 L5 M238 L305G3-L301 PolarHBondContact O-N 3.22Å; L5-L301 HydrophobicContact CD1-CB 4.06Å; L5-L301 HydrophobicContact CD1-CD1 4.06Å; M238-L301 HydrophobicContact CG-CD1 4.28Å; M238-L301 HydrophobicContact SD-CD1 3.9Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å
302D87.9Confident87.4Confident49 Ų4970.9 Ų70.926%0.26237%0.372SS..  trans-96.7153.8177.1-68.6-57.7000111.9A2 N297 R300 K304 L305 G306A2-D302 VanDerWaalsContact CB-OD1 3.24Å; A2-D302 WeakPolarHBondContact CB-OD1 3.34Å; N297-D302 PolarHBondContact ND2-OD2 3.39Å; R300-D302 PolarHBondContact O-N 2.91Å; D302-K304 PolarHBondContact O-N 3.38Å; D302-K304 VanDerWaalsContact O-N 3.16Å; D302-L305 WeakPolarHBondContact O-CB 3.41Å; D302-L305 PolarHBondContact O-N 3.12Å; D302-G306 PolarHBondContact O-N 3.39Å; D302-G306 VanDerWaalsContact O-N 3.12Å
303W85.3Confident87.5Confident186 Ų18674.6 Ų74.671%0.70538%0.38SS*.Hα-helixtrans-59-27.4173.371.9-85.2000112.6G306 I307W303-G306 PolarHBondContact O-N 2.94Å; W303-I307 HydrophobicContact CE3-CD1 3.37Å; W303-I307 HydrophobicContact CE3-CG1 4.25Å; W303-I307 HydrophobicContact CZ3-CD1 3.27Å; W303-I307 WeakPolarHBondContact O-CG1 3.46Å; W303-I307 PolarHBondContact O-N 2.98Å
304K89.7Confident87.7Confident135 Ų13578.2 Ų78.259%0.58740%0.396SS*.Hα-helixtrans-64.3-46.3173.5-62.1-176.4-178.8-175.70111.7D302 G306 I307 V308D302-K304 PolarHBondContact O-N 3.38Å; D302-K304 VanDerWaalsContact O-N 3.16Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.24Å; K304-I307 PolarHBondContact O-N 3.45Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.06Å
305L89.8Confident87.9Confident18 Ų1882.5 Ų82.59%0.09442%0.419CS..Hα-helixtrans-60.3-40.5175.2179.466.6000110.3A293 V294 N297 L301 D302 V308 S309A293-L305 HydrophobicContact CB-CD1 3.69Å; V294-L305 HydrophobicContact CG2-CD2 4.01Å; N297-L305 HydrophobicContact CB-CD2 4.39Å; L301-L305 HydrophobicContact CD1-CD2 4.15Å; D302-L305 WeakPolarHBondContact O-CB 3.41Å; D302-L305 PolarHBondContact O-N 3.12Å; L305-V308 PolarHBondContact O-N 2.89Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.89Å; L305-S309 PolarHBondContact O-OG 3.49Å
306G89.8Confident87.9Confident36 Ų3680 Ų8037%0.37141%0.406SS..Hα-helixtrans-62.1-39.6174.500000114.1D302 W303 K304 S309 L310D302-G306 PolarHBondContact O-N 3.39Å; D302-G306 VanDerWaalsContact O-N 3.12Å; W303-G306 PolarHBondContact O-N 2.94Å; K304-G306 VanDerWaalsContact C-N 3.26Å; K304-G306 PolarHBondContact O-N 3.24Å; G306-S309 WeakPolarHBondContact CA-OG 3.31Å; G306-S309 PolarHBondContact O-OG 3.02Å; G306-L310 VanDerWaalsContact O-CB 3.27Å; G306-L310 WeakPolarHBondContact O-CB 3.32Å; G306-L310 PolarHBondContact O-N 2.73Å
307I91.4Very high87.9Confident78 Ų7875 Ų7540%0.439%0.385SS..Hα-helixtrans-68.5-43.7174.7-70.6178.2000111W303 K304 S309 L310 I311W303-I307 HydrophobicContact CE3-CD1 3.37Å; W303-I307 HydrophobicContact CE3-CG1 4.25Å; W303-I307 HydrophobicContact CZ3-CD1 3.27Å; W303-I307 WeakPolarHBondContact O-CG1 3.46Å; W303-I307 PolarHBondContact O-N 2.98Å; K304-I307 PolarHBondContact O-N 3.45Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 2.87Å; I307-L310 PolarHBondContact O-N 2.95Å; I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 WeakPolarHBondContact O-CG1 3.35Å; I307-I311 PolarHBondContact O-N 2.9Å
308V91.5Very high88Confident74 Ų7475.9 Ų75.945%0.44839%0.393SS..Hα-helixtrans-60.6-45.1177.3171.70000110.6F289 K304 L305 I311 C312F289-V308 HydrophobicContact CZ-CG1 4.14Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.06Å; L305-V308 PolarHBondContact O-N 2.89Å; V308-I311 PolarHBondContact O-N 3.45Å; V308-C312 WeakPolarHBondContact O-CB 3.49Å; V308-C312 PolarHBondContact O-N 3.02Å
309S89.4Confident88.3Confident56 Ų5677 Ų7739%0.39239%0.388SS..Hα-helixtrans-66.2-36.8177.466.30000112.4L305 G306 I307 C312 Y313L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 2.89Å; L305-S309 PolarHBondContact O-OG 3.49Å; G306-S309 WeakPolarHBondContact CA-OG 3.31Å; G306-S309 PolarHBondContact O-OG 3.02Å; I307-S309 VanDerWaalsContact C-N 3.34Å; I307-S309 PolarHBondContact O-N 2.87Å; S309-C312 PolarHBondContact O-N 3.31Å; S309-Y313 WeakPolarHBondContact O-CB 3.3Å; S309-Y313 PolarHBondContact O-N 3.2Å
310L91.4Very high88.4Confident99 Ų9976.5 Ų76.552%0.51839%0.389SS..Hα-helixtrans-65.3-44175.3-173.471.3000112.1G306 I307 Y313 I314G306-L310 VanDerWaalsContact O-CB 3.27Å; G306-L310 WeakPolarHBondContact O-CB 3.32Å; G306-L310 PolarHBondContact O-N 2.73Å; I307-L310 PolarHBondContact O-N 2.95Å; L310-Y313 PolarHBondContact O-N 3.25Å; L310-I314 HydrophobicContact CG-CD1 4.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 3.47Å
311I92.2Very high88.5Confident105 Ų10573 Ų7354%0.53838%0.379SS..Hα-helixtrans-62.4-46.3176.5-69168.6000110.2I307 V308 Y313 I314 L315I307-I311 HydrophobicContact CG2-CD1 3.77Å; I307-I311 HydrophobicContact CG2-CG1 4.37Å; I307-I311 WeakPolarHBondContact O-CG1 3.35Å; I307-I311 PolarHBondContact O-N 2.9Å; V308-I311 PolarHBondContact O-N 3.45Å; I311-Y313 VanDerWaalsContact C-N 3.34Å; I311-Y313 PolarHBondContact O-N 3.28Å; I311-I314 PolarHBondContact O-N 3.12Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3Å
312C90.1Very high88.7Confident26 Ų2673.4 Ų73.418%0.17638%0.38CS..Hα-helixtrans-62.4-39.9175.9-80.90000112.4F289 V308 S309 L315 F316F289-C312 HydrophobicContact CD1-CB 4.39Å; F289-C312 HydrophobicContact CE1-CB 3.7Å; F289-C312 HydrophobicContact CZ-CB 3.92Å; F289-C312 WeakPolarHBondContact CZ-SG 3.37Å; V308-C312 WeakPolarHBondContact O-CB 3.49Å; V308-C312 PolarHBondContact O-N 3.02Å; S309-C312 PolarHBondContact O-N 3.31Å; C312-L315 PolarHBondContact O-N 2.82Å; C312-F316 HydrophobicContact CB-CD2 4.36Å; C312-F316 HydrophobicContact CB-CE2 4.24Å; C312-F316 WeakPolarHBondContact O-CB 3.36Å; C312-F316 WeakPolarHBondContact O-CD2 3.42Å; C312-F316 WeakPolarHBondContact O-CG 3.35Å; C312-F316 PolarHBondContact O-N 3.02Å
313Y90Very high88.4Confident145 Ų14573 Ų7357%0.56938%0.376SS*.Hα-helixtrans-59.6-49.5174.6166.7-103000111.7S309 L310 I311 L315 F316 A317S309-Y313 WeakPolarHBondContact O-CB 3.3Å; S309-Y313 PolarHBondContact O-N 3.2Å; L310-Y313 PolarHBondContact O-N 3.25Å; I311-Y313 VanDerWaalsContact C-N 3.34Å; I311-Y313 PolarHBondContact O-N 3.28Å; Y313-L315 VanDerWaalsContact C-N 3.3Å; Y313-L315 PolarHBondContact O-N 2.94Å; Y313-F316 PolarHBondContact O-N 3.13Å; Y313-A317 VanDerWaalsContact O-CB 3.23Å; Y313-A317 WeakPolarHBondContact O-CB 3.49Å; Y313-A317 PolarHBondContact O-N 2.94Å
314I91.3Very high88.1Confident93 Ų9366.3 Ų66.348%0.47735%0.352SS..Hα-helixtrans-60.7-42177.9-66.6168.7000110.4L310 I311 T318L310-I314 HydrophobicContact CG-CD1 4.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 3.47Å; I311-I314 PolarHBondContact O-N 3.12Å; I314-T318 HydrophobicContact CG2-CG2 4.32Å; I314-T318 WeakPolarHBondContact O-CB 3.4Å; I314-T318 WeakPolarHBondContact O-CG2 3.49Å; I314-T318 PolarHBondContact O-N 3.09Å; I314-T318 PolarHBondContact O-OG1 3.31Å
315L90.3Very high87.6Confident94 Ų9462.5 Ų62.549%0.49234%0.337SS..Hα-helixtrans-62-49.2176.4-176.768.5000112.1I311 C312 Y313 T318 L319I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3Å; C312-L315 PolarHBondContact O-N 2.82Å; Y313-L315 VanDerWaalsContact C-N 3.3Å; Y313-L315 PolarHBondContact O-N 2.94Å; L315-T318 WeakPolarHBondContact CA-OG1 3.38Å; L315-T318 PolarHBondContact O-N 3.18Å; L315-T318 PolarHBondContact O-OG1 3.4Å; L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 4.17Å; L315-L319 WeakPolarHBondContact O-CB 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.31Å; L315-L319 PolarHBondContact O-N 3.03Å
316F87.2Confident86.8Confident45 Ų4562.9 Ų62.920%0.19735%0.345CS..Hα-helixtrans-67.5-39.6179.6-73.6-54.3000112.7T282 L285 C312 Y313 L319 S320T282-F316 HydrophobicContact CG2-CB 4.23Å; T282-F316 HydrophobicContact CG2-CD1 4.06Å; T282-F316 HydrophobicContact CG2-CG 4.36Å; L285-F316 HydrophobicContact CD2-CE1 3.74Å; L285-F316 HydrophobicContact CD2-CZ 3.93Å; L285-F316 HydrophobicContact CG-CE1 4.49Å; L285-F316 HydrophobicContact CG-CZ 4.27Å; C312-F316 HydrophobicContact CB-CD2 4.36Å; C312-F316 HydrophobicContact CB-CE2 4.24Å; C312-F316 WeakPolarHBondContact O-CB 3.36Å; C312-F316 WeakPolarHBondContact O-CD2 3.42Å; C312-F316 WeakPolarHBondContact O-CG 3.35Å; C312-F316 PolarHBondContact O-N 3.02Å; Y313-F316 PolarHBondContact O-N 3.13Å; F316-L319 PolarHBondContact O-N 3.16Å; F316-S320 WeakPolarHBondContact O-CB 3.35Å; F316-S320 PolarHBondContact O-N 3.05Å; F316-S320 PolarHBondContact O-OG 3.2Å
317A87Confident86.2Confident30 Ų3066.8 Ų66.825%0.24836%0.356CS..Hα-helixtrans-63.5-46.5176.600000111Y313 L319 S320 I321Y313-A317 VanDerWaalsContact O-CB 3.23Å; Y313-A317 WeakPolarHBondContact O-CB 3.49Å; Y313-A317 PolarHBondContact O-N 2.94Å; A317-L319 PolarHBondContact O-N 3.4Å; A317-S320 PolarHBondContact O-N 3.15Å; A317-I321 WeakPolarHBondContact O-CD1 3.08Å; A317-I321 VanDerWaalsContact O-CG1 3.25Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.05Å
318T88.3Confident85.1Confident73 Ų7367.9 Ų67.945%0.44836%0.362SS..Hα-helixtrans-63.3-42.517750.90000112.2I314 L315 S320 I321 L322I314-T318 HydrophobicContact CG2-CG2 4.32Å; I314-T318 WeakPolarHBondContact O-CB 3.4Å; I314-T318 WeakPolarHBondContact O-CG2 3.49Å; I314-T318 PolarHBondContact O-N 3.09Å; I314-T318 PolarHBondContact O-OG1 3.31Å; L315-T318 WeakPolarHBondContact CA-OG1 3.38Å; L315-T318 PolarHBondContact O-N 3.18Å; L315-T318 PolarHBondContact O-OG1 3.4Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.27Å; T318-I321 PolarHBondContact O-N 3.14Å; T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 PolarHBondContact O-N 3.23Å
319L86.4Confident83.5Confident70 Ų7065 Ų6537%0.36635%0.348SS..Hα-helixtrans-61.5-40.3173.9-72.6172.5000112.3L315 F316 A317 L322 Y323 I328L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CG-CD1 4.17Å; L315-L319 WeakPolarHBondContact O-CB 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.31Å; L315-L319 PolarHBondContact O-N 3.03Å; F316-L319 PolarHBondContact O-N 3.16Å; A317-L319 PolarHBondContact O-N 3.4Å; L319-L322 PolarHBondContact O-N 3.06Å; L319-Y323 WeakPolarHBondContact O-CB 3.38Å; L319-Y323 PolarHBondContact O-N 2.84Å; L319-I328 HydrophobicContact CD2-CD1 4.41Å
320S83.8Confident81.8Confident18 Ų1870.6 Ų70.613%0.12637%0.373CS..Hα-helixtrans-66.1-44.9178.7-56.50000111.9F316 A317 T318 Y323 E324F316-S320 WeakPolarHBondContact O-CB 3.35Å; F316-S320 PolarHBondContact O-N 3.05Å; F316-S320 PolarHBondContact O-OG 3.2Å; A317-S320 PolarHBondContact O-N 3.15Å; T318-S320 VanDerWaalsContact C-N 3.33Å; T318-S320 PolarHBondContact O-N 3.27Å; S320-Y323 PolarHBondContact O-N 3.06Å; S320-E324 PolarHBondContact O-N 2.9Å
321I84.9Confident80Confident52 Ų5268.7 Ų68.727%0.26736%0.364SS..Hα-helixtrans-63.4-44.3175.7-65163.2000110.3V207 T211 A317 T318 Y323 E324 M325V207-I321 HydrophobicContact CG1-CG1 4.33Å; V207-I321 HydrophobicContact CG1-CG2 3.93Å; T211-I321 HydrophobicContact CG2-CD1 3.55Å; T211-I321 HydrophobicContact CG2-CG1 4.12Å; A317-I321 WeakPolarHBondContact O-CD1 3.08Å; A317-I321 VanDerWaalsContact O-CG1 3.25Å; A317-I321 WeakPolarHBondContact O-CG1 3.45Å; A317-I321 PolarHBondContact O-N 3.05Å; T318-I321 PolarHBondContact O-N 3.14Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 3.39Å; I321-E324 PolarHBondContact O-N 2.95Å; I321-M325 HydrophobicContact CG2-CG 4.19Å; I321-M325 WeakPolarHBondContact O-CB 3.5Å; I321-M325 WeakPolarHBondContact O-CG 3.21Å; I321-M325 PolarHBondContact O-N 3.4Å
322L84.9Confident78.1Confident59 Ų5969.2 Ų69.231%0.30937%0.374SS..Hα-helixtrans-68.3-29.9-177.2-164.160.2000112.7T318 L319 I327 I328T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 PolarHBondContact O-N 3.23Å; L319-L322 PolarHBondContact O-N 3.06Å; L322-I327 HydrophobicContact CD1-CB 3.51Å; L322-I327 HydrophobicContact CD1-CD1 3.42Å; L322-I327 VanDerWaalsContact CD1-CD1 3.42Å; L322-I327 HydrophobicContact CD1-CG1 4.01Å; L322-I327 HydrophobicContact CD1-CG2 3.6Å; L322-I327 HydrophobicContact CG-CB 3.98Å; L322-I327 HydrophobicContact CG-CG2 4.06Å; L322-I327 PolarHBondContact O-N 2.99Å; L322-I327 VanDerWaalsContact O-N 3.15Å; L322-I328 HydrophobicContact CB-CD1 4.32Å; L322-I328 HydrophobicContact CD2-CD1 3.21Å; L322-I328 HydrophobicContact CD2-CG1 3.79Å; L322-I328 HydrophobicContact CG-CB 4.49Å; L322-I328 HydrophobicContact CG-CD1 3.7Å; L322-I328 HydrophobicContact CG-CG1 3.83Å; L322-I328 PolarHBondContact O-N 2.97Å
323Y81.4Confident76.3Confident41 Ų4172.4 Ų72.416%0.16139%0.388CS..Hα-helixtrans-69-47.2170.9-175.2-93.8000111.7F278 L319 S320 I321 M325 G326F278-Y323 HydrophobicContact CB-CD1 4.16Å; F278-Y323 HydrophobicContact CB-CE1 3.77Å; F278-Y323 AromaticContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD1 3.62Å; F278-Y323 HydrophobicContact CD1-CD2 4.47Å; F278-Y323 HydrophobicContact CD1-CE1 4.12Å; F278-Y323 AromaticContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD1-CG 3.83Å; F278-Y323 HydrophobicContact CD2-CD2 4.38Å; F278-Y323 HydrophobicContact CD2-CE1 4.46Å; F278-Y323 HydrophobicContact CD2-CE2 4.3Å; F278-Y323 HydrophobicContact CE1-CD1 4.17Å; F278-Y323 HydrophobicContact CE1-CD2 4.44Å; F278-Y323 AromaticContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE1-CG 3.9Å; F278-Y323 HydrophobicContact CE2-CD2 4.34Å; F278-Y323 AromaticContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD1 3.85Å; F278-Y323 HydrophobicContact CG-CD2 4.45Å; F278-Y323 AromaticContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE1 3.85Å; F278-Y323 HydrophobicContact CG-CE2 4.45Å; F278-Y323 HydrophobicContact CG-CG 4.15Å; F278-Y323 HydrophobicContact CZ-CD2 4.37Å; F278-Y323 HydrophobicContact CZ-CG 4.27Å; L319-Y323 WeakPolarHBondContact O-CB 3.38Å; L319-Y323 PolarHBondContact O-N 2.84Å; S320-Y323 PolarHBondContact O-N 3.06Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 3.39Å; Y323-M325 VanDerWaalsContact C-N 3.32Å; Y323-M325 PolarHBondContact O-N 3.32Å; Y323-G326 PolarHBondContact O-N 2.5Å
324E78.9Confident74.3Confident45 Ų4576.5 Ų76.521%0.2140%0.402CS..Hα-helixtrans-65.7-35.7-179.7-166.266.8-174.500112.2T206 V207 S320 I321 G326T206-E324 VanDerWaalsContact CB-OE1 3.22Å; T206-E324 WeakPolarHBondContact CB-OE1 3.14Å; T206-E324 HydrophobicContact CG2-CG 4.22Å; T206-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T206-E324 PolarHBondContact OG1-OE1 3.46Å; V207-E324 HydrophobicContact CG2-CB 3.89Å; V207-E324 HydrophobicContact CG2-CG 3.68Å; S320-E324 PolarHBondContact O-N 2.9Å; I321-E324 PolarHBondContact O-N 2.95Å; E324-G326 PolarHBondContact O-N 3.34Å; E324-G326 VanDerWaalsContact O-N 3.12Å
325M79.4Confident72.1Confident56 Ų5676.1 Ų76.128%0.27640%0.401SS..THydrogen-bonded Turntrans-712.1173.1-65.6-64.8-67.100113.4P204 V207 I321 Y323 I327P204-M325 VanDerWaalsContact CD-SD 3.59Å; P204-M325 HydrophobicContact CG-SD 4.08Å; V207-M325 HydrophobicContact CG2-CG 4.48Å; V207-M325 HydrophobicContact CG2-SD 4.21Å; I321-M325 HydrophobicContact CG2-CG 4.19Å; I321-M325 WeakPolarHBondContact O-CB 3.5Å; I321-M325 WeakPolarHBondContact O-CG 3.21Å; I321-M325 PolarHBondContact O-N 3.4Å; Y323-M325 VanDerWaalsContact C-N 3.32Å; Y323-M325 PolarHBondContact O-N 3.32Å; M325-I327 HydrophobicContact CB-CD1 4.1Å; M325-I327 HydrophobicContact CB-CG1 4.34Å; M325-I327 PolarHBondContact O-N 3.43Å
326G73.5Confident69.8Low25 Ų2578 Ų7826%0.25842%0.42SS..THydrogen-bonded Turntrans6915.3176.500000114.6Y323 E324 G329Y323-G326 PolarHBondContact O-N 2.5Å; E324-G326 PolarHBondContact O-N 3.34Å; E324-G326 VanDerWaalsContact O-N 3.12Å; G326-G329 CarbonylContact C-O 3.43Å; G326-G329 VanDerWaalsContact O-O 3.07Å
327I77.7Confident67.4Low119 Ų11980.2 Ų80.261%0.6144%0.441SS*.SBendtrans-82.5-34.7-178.8-65.7165.8000111L322 M325L322-I327 HydrophobicContact CD1-CB 3.51Å; L322-I327 HydrophobicContact CD1-CD1 3.42Å; L322-I327 VanDerWaalsContact CD1-CD1 3.42Å; L322-I327 HydrophobicContact CD1-CG1 4.01Å; L322-I327 HydrophobicContact CD1-CG2 3.6Å; L322-I327 HydrophobicContact CG-CB 3.98Å; L322-I327 HydrophobicContact CG-CG2 4.06Å; L322-I327 PolarHBondContact O-N 2.99Å; L322-I327 VanDerWaalsContact O-N 3.15Å; M325-I327 HydrophobicContact CB-CD1 4.1Å; M325-I327 HydrophobicContact CB-CG1 4.34Å; M325-I327 PolarHBondContact O-N 3.43Å
328I66.8Low65Low100 Ų10090 Ų9051%0.51349%0.49SS..SBendtrans-105.5-4.3-179.2-75.7-177000113.5L319 L322L319-I328 HydrophobicContact CD2-CD1 4.41Å; L322-I328 HydrophobicContact CB-CD1 4.32Å; L322-I328 HydrophobicContact CD2-CD1 3.21Å; L322-I328 HydrophobicContact CD2-CG1 3.79Å; L322-I328 HydrophobicContact CG-CB 4.49Å; L322-I328 HydrophobicContact CG-CD1 3.7Å; L322-I328 HydrophobicContact CG-CG1 3.83Å; L322-I328 PolarHBondContact O-N 2.97Å
329G59.3Low63.8Low15 Ų1590.9 Ų90.916%0.15549%0.492CS..SBendtrans-138141.5174.600000110.5G326 N331G326-G329 CarbonylContact C-O 3.43Å; G326-G329 VanDerWaalsContact O-O 3.07Å; G329-N331 PolarHBondContact O-N 3.44Å
330N53.2Low62.6Low173 Ų17392 Ų9293%0.92550%0.498SS*.  trans-66.752.5176.3-91.54.9000112.7P332N330-P332 WeakPolarHBondContact O-CD 3.42Å
331N54.3Low61.5Low59 Ų5996.1 Ų96.132%0.31652%0.519SS..  trans-100.4106.2171-74.2-21000107.2G329 I333G329-N331 PolarHBondContact O-N 3.44Å; N331-I333 PolarHBondContact O-N 3.45Å; N331-I333 VanDerWaalsContact O-N 3.13Å
332P51.7Low60.1Low115 Ų11598.7 Ų98.775%0.74753%0.534SS*.  trans-62.3120.6171.625.6-30.7000107.5N330 R334N330-P332 WeakPolarHBondContact O-CD 3.42Å; P332-R334 VanDerWaalsContact C-N 3.35Å; P332-R334 PolarHBondContact O-N 2.87Å
333I51.7Low58.5Low93 Ų93101.2 Ų101.248%0.47755%0.548SS..  trans-58.4102171.4-44.6169.6000105.7N331 L335N331-I333 PolarHBondContact O-N 3.45Å; N331-I333 VanDerWaalsContact O-N 3.13Å; I333-L335 HydrophobicContact CG2-CD1 3.58Å; I333-L335 PolarHBondContact O-N 2.72Å
334R47.7Very low57Low232 Ų232105.2 Ų105.288%0.87557%0.574SS**  trans-77.982.9159.9-75.8-158.7-173.7-156.94.4105.5P332 C336P332-R334 VanDerWaalsContact C-N 3.35Å; P332-R334 PolarHBondContact O-N 2.87Å; R334-C336 PolarHBondContact O-N 3.04Å
335L45.1Very low55.4Low85 Ų85109.5 Ų109.545%0.44560%0.6SS.*  trans-49.2122.9145.6-10372.8000104.5D202 I333 S337D202-L335 VanDerWaalsContact OD1-CD2 3.25Å; D202-L335 WeakPolarHBondContact OD1-CD2 3.23Å; I333-L335 HydrophobicContact CG2-CD1 3.58Å; I333-L335 PolarHBondContact O-N 2.72Å; L335-S337 PolarHBondContact O-N 3.09Å
336C42.3Very low53.6Low133 Ų133113.6 Ų113.690%0.89963%0.625SS**  trans-6383.4164.1-74.30000107R334R334-C336 PolarHBondContact O-N 3.04Å
337S36.6Very low51.9Low91 Ų91121 Ų12164%0.63666%0.655SS**  trans-84115.2154-62.90000106.4L335L335-S337 PolarHBondContact O-N 3.09Å
338D36.9Very low49.6Very low237 Ų237121.2 Ų121.2100%1.26766%0.66SS**  trans80.80171.1-52.9-24.6000118.7

Retrieved 338 of 338 residues in 194.3 ms (Link to these results)