A0A060XGY3_ONCMY Loading...

Splicing factor 3a, subunit 3

AlphaFold DB (B5X1D0), UniProt , Accession A0A060XGY3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 501 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
1M56Low83.1Confident109 Ų10969 Ų6954%0.53732%0.315SS..  01160-99.2-155-6900106.5Q90 I91M1-Q90 HydrophobicContact CE-CB 3.44Å; M1-Q90 VanDerWaalsContact CE-CB 3.44Å; M1-Q90 HydrophobicContact CE-CG 4.48Å; M1-Q90 HydrophobicContact SD-CB 3.98Å; M1-Q90 PolarHBondContact SD-OE1 2.95Å; M1-I91 HydrophobicContact CE-CD1 4.4Å; M1-I91 HydrophobicContact CE-CG1 3.59Å
2E64.3Low84Confident119 Ų11969.8 Ų69.856%0.55632%0.319SS*.  trans-98.390.9178.4-64.9-163.1152.300108.9Q7 R10E2-Q7 HydrophobicContact CB-CG 3.94Å; E2-Q7 PolarHBondContact OE2-NE2 2.92Å; E2-R10 IonicContact OE1-CZ 3.86Å; E2-R10 IonicContact OE1-NH1 3.63Å; E2-R10 PolarHBondContact OE1-NH1 2.73Å; E2-R10 IonicContact OE1-NH2 2.93Å; E2-R10 PolarHBondContact OE1-NH2 2.93Å; E2-R10 VanDerWaalsContact OE1-NH2 3.12Å
3T82.4Confident84.7Confident44 Ų4468.6 Ų68.627%0.2731%0.314SS..  trans-77.2157.9166.959.60000109.8L5 E6 Q7 E71T3-L5 VanDerWaalsContact C-N 3.31Å; T3-L5 PolarHBondContact O-N 3.49Å; T3-E6 PolarHBondContact O-N 3.02Å; T3-E6 VanDerWaalsContact O-N 3.16Å; T3-E6 WeakPolarHBondContact OG1-CB 3.25Å; T3-E6 PolarHBondContact OG1-N 3.15Å; T3-Q7 WeakPolarHBondContact O-CG 3.25Å; T3-Q7 PolarHBondContact O-N 3.25Å; T3-E71 WeakPolarHBondContact CB-OE1 3.27Å
4I86.2Confident85.3Confident44 Ų4464.9 Ų64.923%0.22630%0.297CS..Hα-helixtrans-64.9-41.2-175.6-62.1170.7000109.8E6 Q7 Q8 M67 R68 E71I4-E6 VanDerWaalsContact C-N 3.32Å; I4-E6 PolarHBondContact O-N 3.48Å; I4-Q7 PolarHBondContact O-N 2.97Å; I4-Q8 WeakPolarHBondContact O-CG 3.28Å; I4-Q8 PolarHBondContact O-N 3.3Å; I4-M67 HydrophobicContact CD1-CB 3.37Å; I4-R68 HydrophobicContact CG2-CB 4.18Å; I4-R68 HydrophobicContact CG2-CG 4.28Å; I4-E71 WeakPolarHBondContact CB-OE2 3.33Å; I4-E71 PolarHBondContact N-OE2 3.08Å
5L86.4Confident85.9Confident54 Ų5463.1 Ų63.128%0.28329%0.288SS..Hα-helixtrans-64.4-35.8176.5-63.6179.6000112.8T3 R9 R68 E71 I75T3-L5 VanDerWaalsContact C-N 3.31Å; T3-L5 PolarHBondContact O-N 3.49Å; L5-R9 WeakPolarHBondContact O-CB 3.42Å; L5-R9 PolarHBondContact O-N 2.92Å; L5-R68 HydrophobicContact CD2-CG 4.49Å; L5-E71 PolarHBondContact N-OE2 2.9Å; L5-I75 HydrophobicContact CD1-CD1 3.43Å; L5-I75 VanDerWaalsContact CD1-CD1 3.43Å
6E86.2Confident86.4Confident72 Ų7266.4 Ų66.434%0.33630%0.304SS..Hα-helixtrans-74.5-37.7176.617349.7-174.700112T3 I4 Q8 R9 R10T3-E6 PolarHBondContact O-N 3.02Å; T3-E6 VanDerWaalsContact O-N 3.16Å; T3-E6 WeakPolarHBondContact OG1-CB 3.25Å; T3-E6 PolarHBondContact OG1-N 3.15Å; I4-E6 VanDerWaalsContact C-N 3.32Å; I4-E6 PolarHBondContact O-N 3.48Å; E6-Q8 VanDerWaalsContact C-N 3.31Å; E6-Q8 PolarHBondContact O-N 2.91Å; E6-R9 PolarHBondContact O-N 3.42Å; E6-R9 IonicContact OE1-NH1 3Å; E6-R9 PolarHBondContact OE1-NH1 2.84Å; E6-R9 VanDerWaalsContact OE1-NH1 3.1Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-NH1 3.98Å; E6-R9 PolarHBondContact OE2-NH1 3.06Å; E6-R10 WeakPolarHBondContact O-CB 3.03Å; E6-R10 PolarHBondContact O-N 3.48Å
7Q88.1Confident86.8Confident53 Ų5367.8 Ų67.825%0.24831%0.306CS..Hα-helixtrans-59-45.1171.4-72.5176.5-14.700110.8E2 T3 I4 R10 Y11E2-Q7 HydrophobicContact CB-CG 3.94Å; E2-Q7 PolarHBondContact OE2-NE2 2.92Å; T3-Q7 WeakPolarHBondContact O-CG 3.25Å; T3-Q7 PolarHBondContact O-N 3.25Å; I4-Q7 PolarHBondContact O-N 2.97Å; Q7-R10 PolarHBondContact O-N 2.88Å; Q7-Y11 HydrophobicContact CB-CE2 4.12Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.46Å; Q7-Y11 VanDerWaalsContact O-CG 3.31Å; Q7-Y11 PolarHBondContact O-N 3.09Å
8Q90.5Very high87.1Confident7 Ų764.3 Ų64.33%0.03329%0.291CS..Hα-helixtrans-60.9-45.8175.3-72.4178.817.400112.2I4 E6 R10 Y11 H12 A60 Y61I4-Q8 WeakPolarHBondContact O-CG 3.28Å; I4-Q8 PolarHBondContact O-N 3.3Å; E6-Q8 VanDerWaalsContact C-N 3.31Å; E6-Q8 PolarHBondContact O-N 2.91Å; Q8-R10 PolarHBondContact O-N 2.85Å; Q8-Y11 PolarHBondContact O-N 3.42Å; Q8-H12 PolarHBondContact O-CD2 2.93Å; Q8-H12 PolarHBondContact O-N 3.45Å; Q8-A60 HydrophobicContact CG-CB 4.19Å; Q8-A60 PolarHBondContact NE2-O 3.34Å; Q8-Y61 PolarHBondContact OE1-OH 3.42Å
9R90.9Very high87.5Confident135 Ų13564.3 Ų64.351%0.50929%0.293SS..Hα-helixtrans-58.3-47.9175.4180-172.2156.6-86-19.7110.8L5 E6 Y11 H12 E13L5-R9 WeakPolarHBondContact O-CB 3.42Å; L5-R9 PolarHBondContact O-N 2.92Å; E6-R9 PolarHBondContact O-N 3.42Å; E6-R9 IonicContact OE1-NH1 3Å; E6-R9 PolarHBondContact OE1-NH1 2.84Å; E6-R9 VanDerWaalsContact OE1-NH1 3.1Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-NH1 3.98Å; E6-R9 PolarHBondContact OE2-NH1 3.06Å; R9-Y11 PolarHBondContact O-N 2.78Å; R9-H12 PolarHBondContact O-N 2.88Å; R9-E13 IonicContact CZ-OE2 3.94Å; R9-E13 IonicContact NH2-OE2 2.73Å; R9-E13 PolarHBondContact NH2-OE2 3.45Å; R9-E13 PolarHBondContact O-N 3.4Å
10R90.4Very high87.7Confident73 Ų7364.6 Ų64.628%0.27530%0.297SS..Hα-helixtrans-59-45.9179.4-177178.871.3-166.6-2111.6E2 E6 Q7 Q8 H12 E13 E14 M106E2-R10 IonicContact OE1-CZ 3.86Å; E2-R10 IonicContact OE1-NH1 3.63Å; E2-R10 PolarHBondContact OE1-NH1 2.73Å; E2-R10 IonicContact OE1-NH2 2.93Å; E2-R10 PolarHBondContact OE1-NH2 2.93Å; E2-R10 VanDerWaalsContact OE1-NH2 3.12Å; E6-R10 WeakPolarHBondContact O-CB 3.03Å; E6-R10 PolarHBondContact O-N 3.48Å; Q7-R10 PolarHBondContact O-N 2.88Å; Q8-R10 PolarHBondContact O-N 2.85Å; R10-H12 PolarHBondContact O-N 2.91Å; R10-E13 WeakPolarHBondContact O-CB 3.45Å; R10-E13 PolarHBondContact O-N 2.86Å; R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 PolarHBondContact O-N 2.87Å; R10-M106 HydrophobicContact CG-CE 3.74Å
11Y92.6Very high87.9Confident49 Ų4962.1 Ų62.119%0.19229%0.288CS..Hα-helixtrans-66.4-36177.9-67.1-46.9000113.1Q7 Q8 R9 E14 K15 V53 T56 V57Q7-Y11 HydrophobicContact CB-CE2 4.12Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.46Å; Q7-Y11 VanDerWaalsContact O-CG 3.31Å; Q7-Y11 PolarHBondContact O-N 3.09Å; Q8-Y11 PolarHBondContact O-N 3.42Å; R9-Y11 PolarHBondContact O-N 2.78Å; Y11-E14 PolarHBondContact O-N 2.81Å; Y11-K15 WeakPolarHBondContact O-CG 3.26Å; Y11-K15 PolarHBondContact O-N 2.81Å; Y11-V53 HydrophobicContact CD1-CG1 3.93Å; Y11-V53 HydrophobicContact CG-CG1 4.15Å; Y11-V53 WeakPolarHBondContact O-CG1 3.44Å; Y11-T56 HydrophobicContact CD2-CG2 4.49Å; Y11-T56 HydrophobicContact CE1-CG2 4.48Å; Y11-T56 HydrophobicContact CE2-CG2 3.84Å; Y11-V57 HydrophobicContact CD2-CG2 3.95Å; Y11-V57 HydrophobicContact CG-CG2 3.83Å
12H94.3Very high89.6Confident78 Ų7860 Ų6036%0.36128%0.276SS..Hα-helixtrans-66.6-40.4172.2-79.9-66.5000112.1Q8 R9 R10 K15 E16 Y61Q8-H12 PolarHBondContact O-CD2 2.93Å; Q8-H12 PolarHBondContact O-N 3.45Å; R9-H12 PolarHBondContact O-N 2.88Å; R10-H12 PolarHBondContact O-N 2.91Å; H12-K15 PolarHBondContact O-N 3.14Å; H12-E16 PolarHBondContact O-N 3.35Å; H12-E16 VanDerWaalsContact O-N 3.08Å; H12-Y61 AromaticContact NE2-CE2 3.46Å; H12-Y61 WeakPolarHBondContact NE2-CE2 3.38Å; H12-Y61 AromaticContact NE2-CZ 3.61Å; H12-Y61 PolarHBondContact NE2-OH 3.5Å
13E93.1Very high91Very high55 Ų5557.8 Ų57.826%0.25727%0.271SS..Hα-helixtrans-58.7-48.6172.4179.6168.9-17100110.4R9 R10 K15 E16 R17 M106R9-E13 IonicContact CZ-OE2 3.94Å; R9-E13 IonicContact NH2-OE2 2.73Å; R9-E13 PolarHBondContact NH2-OE2 3.45Å; R9-E13 PolarHBondContact O-N 3.4Å; R10-E13 WeakPolarHBondContact O-CB 3.45Å; R10-E13 PolarHBondContact O-N 2.86Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 3.2Å; E13-E16 PolarHBondContact O-N 3.33Å; E13-E16 VanDerWaalsContact O-N 3.14Å; E13-R17 HydrophobicContact CG-CG 4.35Å; E13-R17 VanDerWaalsContact O-CG 3.27Å; E13-R17 WeakPolarHBondContact O-CG 3.19Å; E13-R17 PolarHBondContact O-N 2.88Å; E13-R17 IonicContact OE1-NE 2.95Å; E13-R17 IonicContact OE1-NH2 3.37Å; E13-M106 HydrophobicContact CG-SD 4.45Å
14E92.9Very high91.4Very high17 Ų1761.5 Ų61.58%0.07928%0.283CS..Hα-helixtrans-57.1-44.9178.3-169.7170.9174.700112.8R10 Y11 E16 R17 L18 R49 V53 M106R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 PolarHBondContact O-N 2.87Å; Y11-E14 PolarHBondContact O-N 2.81Å; E14-E16 PolarHBondContact O-N 3.35Å; E14-R17 PolarHBondContact O-N 3.27Å; E14-L18 HydrophobicContact CG-CD1 4.12Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 VanDerWaalsContact O-CG 3.3Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.91Å; E14-R49 IonicContact OE1-CZ 2.95Å; E14-R49 IonicContact OE1-NE 3.18Å; E14-R49 PolarHBondContact OE1-NE 2.86Å; E14-R49 IonicContact OE1-NH2 3.73Å; E14-R49 PolarHBondContact OE1-NH2 3.48Å; E14-V53 HydrophobicContact CG-CG2 4.3Å; E14-M106 VanDerWaalsContact CA-SD 3.5Å; E14-M106 HydrophobicContact CB-CE 3.86Å; E14-M106 HydrophobicContact CB-SD 3.52Å; E14-M106 VanDerWaalsContact CB-SD 3.52Å; E14-M106 HydrophobicContact CG-CE 4.07Å; E14-M106 HydrophobicContact CG-SD 3.93Å
15K94.4Very high91.6Very high37 Ų3759.8 Ų59.816%0.16127%0.274CS..Hα-helixtrans-58.7-46175-78.1178.761.8173.20112.5Y11 H12 E13 R17 L18 L19 Y50 V53 S54Y11-K15 WeakPolarHBondContact O-CG 3.26Å; Y11-K15 PolarHBondContact O-N 2.81Å; H12-K15 PolarHBondContact O-N 3.14Å; E13-K15 VanDerWaalsContact C-N 3.34Å; E13-K15 PolarHBondContact O-N 3.2Å; K15-R17 VanDerWaalsContact C-N 3.32Å; K15-L18 PolarHBondContact O-N 3.24Å; K15-L19 WeakPolarHBondContact O-CG 3.33Å; K15-L19 PolarHBondContact O-N 2.93Å; K15-Y50 HydrophobicContact CB-CD2 4.05Å; K15-Y50 HydrophobicContact CB-CE2 3.66Å; K15-Y50 HydrophobicContact CD-CE2 4.39Å; K15-Y50 VanDerWaalsContact CE-CZ 3.43Å; K15-Y50 VanDerWaalsContact CE-OH 3.29Å; K15-Y50 WeakPolarHBondContact CE-OH 3.29Å; K15-Y50 HydrophobicContact CG-CD2 4.03Å; K15-Y50 HydrophobicContact CG-CE2 3.86Å; K15-V53 HydrophobicContact CD-CG1 4.14Å; K15-V53 HydrophobicContact CG-CB 4.26Å; K15-V53 HydrophobicContact CG-CG1 3.68Å; K15-S54 WeakPolarHBondContact CE-OG 3.44Å; K15-S54 PolarHBondContact NZ-OG 3.38Å
16E94.4Very high91.8Very high117 Ų11762.2 Ų62.255%0.54729%0.286SS..Hα-helixtrans-63.9-41.6179-159.870.2-178.200110.7H12 E13 E14 L18 L19 D20H12-E16 PolarHBondContact O-N 3.35Å; H12-E16 VanDerWaalsContact O-N 3.08Å; E13-E16 PolarHBondContact O-N 3.33Å; E13-E16 VanDerWaalsContact O-N 3.14Å; E14-E16 PolarHBondContact O-N 3.35Å; E16-L18 PolarHBondContact O-N 2.83Å; E16-L19 PolarHBondContact O-N 3.1Å; E16-D20 PolarHBondContact O-N 3.29Å
17R92.1Very high92Very high90 Ų9066.1 Ų66.134%0.3431%0.305SS..Hα-helixtrans-64.6-39176.4-63.4-60.3-176.5175.83.6112.8E13 E14 K15 L19 D20 A21 F110E13-R17 HydrophobicContact CG-CG 4.35Å; E13-R17 VanDerWaalsContact O-CG 3.27Å; E13-R17 WeakPolarHBondContact O-CG 3.19Å; E13-R17 PolarHBondContact O-N 2.88Å; E13-R17 IonicContact OE1-NE 2.95Å; E13-R17 IonicContact OE1-NH2 3.37Å; E14-R17 PolarHBondContact O-N 3.27Å; K15-R17 VanDerWaalsContact C-N 3.32Å; R17-L19 VanDerWaalsContact C-N 3.34Å; R17-D20 PolarHBondContact O-N 3.16Å; R17-A21 VanDerWaalsContact O-CB 3.27Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.1Å; R17-F110 HydrophobicContact CB-CD1 4.29Å; R17-F110 HydrophobicContact CB-CD2 3.64Å; R17-F110 HydrophobicContact CB-CE1 3.96Å; R17-F110 HydrophobicContact CB-CE2 3.28Å; R17-F110 HydrophobicContact CB-CG 4.14Å; R17-F110 HydrophobicContact CB-CZ 3.45Å; R17-F110 VanDerWaalsContact CB-CZ 3.45Å; R17-F110 HydrophobicContact CG-CD2 4.15Å; R17-F110 HydrophobicContact CG-CE2 3.94Å
18L93.4Very high92Very high4 Ų467.1 Ų67.12%0.02131%0.31CS..Hα-helixtrans-63.2-41174.3-74.5161.9000111.4E14 K15 E16 K22 M46 R49 Y50 F110E14-L18 HydrophobicContact CG-CD1 4.12Å; E14-L18 WeakPolarHBondContact O-CB 3.21Å; E14-L18 VanDerWaalsContact O-CG 3.3Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 3.24Å; E16-L18 PolarHBondContact O-N 2.83Å; L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 2.97Å; L18-K22 PolarHBondContact O-N 3.08Å; L18-M46 HydrophobicContact CD2-CB 4.03Å; L18-M46 HydrophobicContact CD2-CG 4.23Å; L18-R49 HydrophobicContact CD1-CB 4.27Å; L18-R49 HydrophobicContact CD1-CG 3.96Å; L18-R49 HydrophobicContact CD2-CB 4.31Å; L18-R49 HydrophobicContact CD2-CG 4.34Å; L18-Y50 HydrophobicContact CB-CD2 4.16Å; L18-Y50 HydrophobicContact CD1-CD2 4.49Å; L18-F110 HydrophobicContact CD2-CE1 3.72Å; L18-F110 HydrophobicContact CD2-CZ 4.1Å; L18-F110 HydrophobicContact CG-CE1 3.9Å; L18-F110 HydrophobicContact CG-CZ 3.92Å
19L93.1Very high92Very high64 Ų6474.9 Ų74.934%0.33534%0.344SS..Hα-helixtrans-64.6-44.6174.9-70.7172.8000111.8K15 E16 R17 T23 Y50K15-L19 WeakPolarHBondContact O-CG 3.33Å; K15-L19 PolarHBondContact O-N 2.93Å; E16-L19 PolarHBondContact O-N 3.1Å; R17-L19 VanDerWaalsContact C-N 3.34Å; L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.4Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 3.23Å; L19-Y50 HydrophobicContact CD1-CE2 3.84Å; L19-Y50 HydrophobicContact CD2-CD2 4.38Å; L19-Y50 HydrophobicContact CD2-CE2 3.95Å; L19-Y50 HydrophobicContact CG-CD2 4.19Å; L19-Y50 HydrophobicContact CG-CE2 3.65Å
20D92.4Very high91.9Very high70 Ų7070.9 Ų70.937%0.37433%0.33SS..Hα-helixtrans-61-47.5175.8-81.7-12.7000111.5E16 R17 T23 K24E16-D20 PolarHBondContact O-N 3.29Å; R17-D20 PolarHBondContact O-N 3.16Å; D20-T23 PolarHBondContact O-N 3.15Å; D20-K24 WeakPolarHBondContact O-CG 3.29Å; D20-K24 PolarHBondContact O-N 3.16Å
21A91.5Very high91.7Very high14 Ų1472.8 Ų72.812%0.11635%0.35CS..Hα-helixtrans-62.9-47.8-179.800000111.4R17 T23 K24 E25 M46 F110R17-A21 VanDerWaalsContact O-CB 3.27Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.1Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 2.7Å; A21-K24 PolarHBondContact O-N 3.3Å; A21-E25 WeakPolarHBondContact O-CB 3.34Å; A21-E25 PolarHBondContact O-N 3.05Å; A21-M46 HydrophobicContact CB-CE 4.31Å; A21-M46 HydrophobicContact CB-SD 3.87Å; A21-F110 HydrophobicContact CB-CD1 3.71Å; A21-F110 HydrophobicContact CB-CE1 4.26Å
22K92.6Very high91.5Very high63 Ų6372.1 Ų72.127%0.27435%0.351SS..Hα-helixtrans-56.9-44.9172.8169.8175175.7-175.50111.6L18 K24 E25 M26 T43 M46 L47L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 2.97Å; L18-K22 PolarHBondContact O-N 3.08Å; K22-K24 PolarHBondContact O-N 3.43Å; K22-E25 PolarHBondContact O-N 2.86Å; K22-M26 HydrophobicContact CG-CG 4.29Å; K22-M26 WeakPolarHBondContact O-CB 3.37Å; K22-M26 VanDerWaalsContact O-CG 3.26Å; K22-M26 WeakPolarHBondContact O-CG 3.48Å; K22-M26 PolarHBondContact O-N 3.17Å; K22-T43 HydrophobicContact CD-CG2 4.01Å; K22-T43 HydrophobicContact CG-CG2 3.91Å; K22-M46 HydrophobicContact CB-SD 4.35Å; K22-L47 HydrophobicContact CD-CD2 3.94Å; K22-L47 HydrophobicContact CD-CG 4.24Å
23T92.4Very high91.2Very high74 Ų7471.5 Ų71.545%0.45435%0.35SS..Hα-helixtrans-63.5-44-178.7-58.80000110.8L19 D20 A21 E25 M26 M27L19-T23 VanDerWaalsContact O-CB 3.32Å; L19-T23 WeakPolarHBondContact O-CB 3.4Å; L19-T23 PolarHBondContact O-N 2.86Å; L19-T23 PolarHBondContact O-OG1 3.23Å; D20-T23 PolarHBondContact O-N 3.15Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 2.7Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.3Å; T23-M26 PolarHBondContact O-N 3.46Å; T23-M27 HydrophobicContact CG2-SD 4.17Å; T23-M27 WeakPolarHBondContact O-CB 2.95Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.33Å; T23-M27 PolarHBondContact O-N 3.37Å
24K91.3Very high91Very high122 Ų12270.7 Ų70.753%0.5335%0.345SS..Hα-helixtrans-61.3-40.7175-72.3174.2-176.4177.30112.2D20 A21 K22 M27 H28D20-K24 WeakPolarHBondContact O-CG 3.29Å; D20-K24 PolarHBondContact O-N 3.16Å; A21-K24 PolarHBondContact O-N 3.3Å; K22-K24 PolarHBondContact O-N 3.43Å; K24-M27 PolarHBondContact O-N 2.78Å; K24-H28 PolarHBondContact O-N 3.06Å; K24-H28 VanDerWaalsContact O-N 3.09Å
25E90.8Very high90.7Very high7 Ų771.9 Ų71.93%0.03335%0.35CS..Hα-helixtrans-65.1-43.8177.8-171.764.8-17500111.8A21 K22 T23 M27 H28 S39 R42 R117A21-E25 WeakPolarHBondContact O-CB 3.34Å; A21-E25 PolarHBondContact O-N 3.05Å; K22-E25 PolarHBondContact O-N 2.86Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.3Å; E25-M27 VanDerWaalsContact C-N 3.29Å; E25-M27 PolarHBondContact O-N 2.82Å; E25-H28 WeakPolarHBondContact O-CB 3.49Å; E25-H28 PolarHBondContact O-N 3.43Å; E25-S39 VanDerWaalsContact CD-OG 3.26Å; E25-S39 VanDerWaalsContact CG-OG 3.24Å; E25-S39 WeakPolarHBondContact CG-OG 3.45Å; E25-S39 WeakPolarHBondContact OE1-CA 3.46Å; E25-S39 WeakPolarHBondContact OE1-CB 3.42Å; E25-S39 PolarHBondContact OE1-OG 3.36Å; E25-R42 IonicContact OE1-CZ 2.86Å; E25-R42 VanDerWaalsContact OE1-CZ 3.28Å; E25-R42 IonicContact OE1-NE 3.78Å; E25-R42 PolarHBondContact OE1-NE 3.41Å; E25-R42 IonicContact OE1-NH2 3.65Å; E25-R42 PolarHBondContact OE1-NH2 2.94Å; E25-R117 VanDerWaalsContact OE2-CD 3.29Å; E25-R117 WeakPolarHBondContact OE2-CD 3.4Å; E25-R117 IonicContact OE2-CZ 3.38Å; E25-R117 IonicContact OE2-NE 2.7Å; E25-R117 IonicContact OE2-NH1 3.12Å; E25-R117 PolarHBondContact OE2-NH1 3.47Å
26M90Very high90.6Very high106 Ų10674.5 Ų74.552%0.52236%0.363SS..Hα-helixtrans-67-28.2175.6-69.4-68.1-65.100113.3K22 T23K22-M26 HydrophobicContact CG-CG 4.29Å; K22-M26 WeakPolarHBondContact O-CB 3.37Å; K22-M26 VanDerWaalsContact O-CG 3.26Å; K22-M26 WeakPolarHBondContact O-CG 3.48Å; K22-M26 PolarHBondContact O-N 3.17Å; T23-M26 PolarHBondContact O-N 3.46Å
27M90.9Very high90.5Very high153 Ų15369.1 Ų69.175%0.75434%0.338SS*.Hα-helixtrans-80.3-17.8175-73.2-177.972.100113T23 K24 E25T23-M27 HydrophobicContact CG2-SD 4.17Å; T23-M27 WeakPolarHBondContact O-CB 2.95Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.33Å; T23-M27 PolarHBondContact O-N 3.37Å; K24-M27 PolarHBondContact O-N 2.78Å; E25-M27 VanDerWaalsContact C-N 3.29Å; E25-M27 PolarHBondContact O-N 2.82Å
28H88.6Confident90.4Very high74 Ų7465.3 Ų65.334%0.34332%0.324SS..SBendtrans-69135.7178.2-16566.2000110.2K24 E25 K30 E35K24-H28 PolarHBondContact O-N 3.06Å; K24-H28 VanDerWaalsContact O-N 3.09Å; E25-H28 WeakPolarHBondContact O-CB 3.49Å; E25-H28 PolarHBondContact O-N 3.43Å; H28-K30 PolarHBondContact O-N 2.93Å; H28-E35 IonicContact CD2-OE1 2.76Å; H28-E35 PolarHBondContact CD2-OE1 3.03Å; H28-E35 IonicContact NE2-OE1 2.6Å
29K88.9Confident90.3Very high171 Ų17165.1 Ų65.174%0.74332%0.323SS*.  trans-83.8111.3-179.2-177.1-175.3174.4-168.30108.8
30K89.1Confident90.4Very high51 Ų5163.1 Ų63.122%0.22231%0.313CS..  trans-79.5131.3174.5-57.6145-176.9-159.50109.5H28 E35 Q36 S39 D40H28-K30 PolarHBondContact O-N 2.93Å; K30-E35 VanDerWaalsContact CA-OE2 3.31Å; K30-E35 WeakPolarHBondContact CA-OE2 3.39Å; K30-Q36 HydrophobicContact CB-CB 4.21Å; K30-Q36 HydrophobicContact CD-CB 4.13Å; K30-Q36 HydrophobicContact CD-CG 4.16Å; K30-Q36 HydrophobicContact CG-CB 4.48Å; K30-S39 VanDerWaalsContact CE-CB 3.41Å; K30-S39 WeakPolarHBondContact CE-OG 3.45Å; K30-S39 PolarHBondContact NZ-OG 2.81Å; K30-D40 IonicContact NZ-OD1 2.71Å; K30-D40 PolarHBondContact NZ-OD1 3.15Å
31T87.1Confident90.4Very high112 Ų11261.2 Ų61.269%0.68730%0.302SS*.  trans-101.3-37.5-179.7540000112.3E35T31-E35 PolarHBondContact N-OE2 2.91Å; T31-E35 PolarHBondContact OG1-OE2 3.23Å
32T87.6Confident90.4Very high36 Ų3662.3 Ų62.322%0.22130%0.303CS..SBendtrans-110.9159.4-177.571.50000112.1R34 E35 Q36T32-R34 VanDerWaalsContact C-N 3.31Å; T32-E35 PolarHBondContact O-N 3.41Å; T32-E35 VanDerWaalsContact OG1-CB 3.31Å; T32-E35 WeakPolarHBondContact OG1-CB 3.33Å; T32-E35 PolarHBondContact OG1-N 3.38Å; T32-E35 VanDerWaalsContact OG1-N 3.08Å; T32-Q36 WeakPolarHBondContact O-CB 3.22Å; T32-Q36 PolarHBondContact O-N 3.45Å
33L88.6Confident90.5Very high64 Ų6459.3 Ų59.334%0.33529%0.29SS..Hα-helixtrans-62.3-41.1174.6177.262.5000111.1Q36 I37 R138L33-Q36 WeakPolarHBondContact O-CB 3.33Å; L33-Q36 PolarHBondContact O-N 3.32Å; L33-I37 HydrophobicContact CD1-CD1 3.97Å; L33-I37 HydrophobicContact CD1-CG1 4.26Å; L33-I37 HydrophobicContact CG-CD1 3.93Å; L33-I37 WeakPolarHBondContact O-CG1 3.23Å; L33-I37 PolarHBondContact O-N 3.22Å; L33-R138 HydrophobicContact CD2-CB 3.99Å
34R88.1Confident90.6Very high39 Ų3959.8 Ų59.815%0.14728%0.283CS..Hα-helixtrans-60.4-47.4177.4-179176.9-175.8-174.24111.7T32 Q36 I37 N38 Q125 N126 Y136 S367T32-R34 VanDerWaalsContact C-N 3.31Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 3.41Å; R34-I37 PolarHBondContact O-N 3.2Å; R34-N38 WeakPolarHBondContact O-CB 3.4Å; R34-N38 VanDerWaalsContact O-CG 3.28Å; R34-N38 PolarHBondContact O-N 3.21Å; R34-N38 PolarHBondContact O-ND2 3.14Å; R34-Q125 VanDerWaalsContact NH2-CD 3.27Å; R34-N126 PolarHBondContact NE-OD1 3.27Å; R34-N126 PolarHBondContact NH2-ND2 3.14Å; R34-N126 PolarHBondContact NH2-OD1 3.43Å; R34-Y136 HydrophobicContact CB-CD1 3.81Å; R34-Y136 HydrophobicContact CB-CE1 4.17Å; R34-Y136 HydrophobicContact CB-CG 4.36Å; R34-Y136 HydrophobicContact CG-CD1 3.65Å; R34-Y136 HydrophobicContact CG-CD2 4.47Å; R34-Y136 HydrophobicContact CG-CE1 3.62Å; R34-Y136 HydrophobicContact CG-CE2 4.48Å; R34-Y136 HydrophobicContact CG-CG 4.07Å; R34-S367 PolarHBondContact NH1-O 3.34Å
35E87.6Confident90.6Very high42 Ų4256.5 Ų56.520%0.19628%0.279CS..Hα-helixtrans-61.3-41.4176.3-168.3-165172.100111.3H28 K30 T31 T32 N38 S39H28-E35 IonicContact CD2-OE1 2.76Å; H28-E35 PolarHBondContact CD2-OE1 3.03Å; H28-E35 IonicContact NE2-OE1 2.6Å; K30-E35 VanDerWaalsContact CA-OE2 3.31Å; K30-E35 WeakPolarHBondContact CA-OE2 3.39Å; T31-E35 PolarHBondContact N-OE2 2.91Å; T31-E35 PolarHBondContact OG1-OE2 3.23Å; T32-E35 PolarHBondContact O-N 3.41Å; T32-E35 VanDerWaalsContact OG1-CB 3.31Å; T32-E35 WeakPolarHBondContact OG1-CB 3.33Å; T32-E35 PolarHBondContact OG1-N 3.38Å; T32-E35 VanDerWaalsContact OG1-N 3.08Å; E35-N38 PolarHBondContact O-N 3.14Å; E35-S39 WeakPolarHBondContact O-CB 3.24Å; E35-S39 PolarHBondContact O-N 3.09Å
36Q91.6Very high90.7Very high91 Ų9157 Ų5743%0.42528%0.282SS..Hα-helixtrans-60.5-51.4176.5175.5173.4-7.200112K30 T32 L33 R34 N38 S39 D40K30-Q36 HydrophobicContact CB-CB 4.21Å; K30-Q36 HydrophobicContact CD-CB 4.13Å; K30-Q36 HydrophobicContact CD-CG 4.16Å; K30-Q36 HydrophobicContact CG-CB 4.48Å; T32-Q36 WeakPolarHBondContact O-CB 3.22Å; T32-Q36 PolarHBondContact O-N 3.45Å; L33-Q36 WeakPolarHBondContact O-CB 3.33Å; L33-Q36 PolarHBondContact O-N 3.32Å; R34-Q36 VanDerWaalsContact C-N 3.3Å; R34-Q36 PolarHBondContact O-N 3.41Å; Q36-N38 VanDerWaalsContact C-N 3.35Å; Q36-N38 PolarHBondContact O-N 3.32Å; Q36-S39 WeakPolarHBondContact O-CB 3.47Å; Q36-S39 PolarHBondContact O-N 2.98Å; Q36-D40 WeakPolarHBondContact O-CB 3.21Å; Q36-D40 PolarHBondContact O-N 3.2Å
37I92.8Very high90.9Very high4 Ų454.4 Ų54.42%0.02127%0.269CS..Hα-helixtrans-61.1-45.1179.5-72170.2000110.5L33 R34 S39 D40 H41 V128 F130 Y136L33-I37 HydrophobicContact CD1-CD1 3.97Å; L33-I37 HydrophobicContact CD1-CG1 4.26Å; L33-I37 HydrophobicContact CG-CD1 3.93Å; L33-I37 WeakPolarHBondContact O-CG1 3.23Å; L33-I37 PolarHBondContact O-N 3.22Å; R34-I37 PolarHBondContact O-N 3.2Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 3.34Å; I37-D40 PolarHBondContact O-N 3.29Å; I37-H41 PolarHBondContact O-CD2 3.27Å; I37-H41 VanDerWaalsContact O-CD2 3.26Å; I37-H41 PolarHBondContact O-N 3.25Å; I37-V128 HydrophobicContact CG2-CG1 3.79Å; I37-F130 HydrophobicContact CD1-CE2 4.5Å; I37-F130 HydrophobicContact CD1-CZ 4.36Å; I37-F130 HydrophobicContact CG2-CE2 4.17Å; I37-F130 HydrophobicContact CG2-CZ 4.49Å; I37-Y136 HydrophobicContact CB-CD1 4.35Å; I37-Y136 HydrophobicContact CB-CE1 3.99Å; I37-Y136 HydrophobicContact CD1-CD1 4.16Å; I37-Y136 WeakPolarHBondContact CD1-O 3.23Å; I37-Y136 HydrophobicContact CG2-CD1 4.35Å; I37-Y136 HydrophobicContact CG2-CE1 3.77Å
38N90.9Very high91.1Very high10 Ų1050.4 Ų50.45%0.05325%0.251CS..Hα-helixtrans-60.1-43.8176.9-78.3-23000112.8R34 E35 Q36 D40 H41 R42 Q125 M127 Y136R34-N38 WeakPolarHBondContact O-CB 3.4Å; R34-N38 VanDerWaalsContact O-CG 3.28Å; R34-N38 PolarHBondContact O-N 3.21Å; R34-N38 PolarHBondContact O-ND2 3.14Å; E35-N38 PolarHBondContact O-N 3.14Å; Q36-N38 VanDerWaalsContact C-N 3.35Å; Q36-N38 PolarHBondContact O-N 3.32Å; N38-D40 VanDerWaalsContact C-N 3.31Å; N38-D40 PolarHBondContact O-N 3.41Å; N38-H41 PolarHBondContact O-N 3.28Å; N38-R42 WeakPolarHBondContact O-CG 3.44Å; N38-R42 PolarHBondContact O-N 2.95Å; N38-Q125 PolarHBondContact ND2-O 3.16Å; N38-M127 HydrophobicContact CB-CG 4.02Å; N38-M127 WeakPolarHBondContact OD1-CB 3.4Å; N38-M127 PolarHBondContact OD1-N 3.42Å; N38-Y136 PolarHBondContact OD1-OH 3.32Å
39S91.3Very high91.4Very high1 Ų150.9 Ų50.91%0.00725%0.25CC..Hα-helixtrans-62.9-39.8176.3-176.50000112.2E25 K30 E35 Q36 I37 R42 T43E25-S39 VanDerWaalsContact CD-OG 3.26Å; E25-S39 VanDerWaalsContact CG-OG 3.24Å; E25-S39 WeakPolarHBondContact CG-OG 3.45Å; E25-S39 WeakPolarHBondContact OE1-CA 3.46Å; E25-S39 WeakPolarHBondContact OE1-CB 3.42Å; E25-S39 PolarHBondContact OE1-OG 3.36Å; K30-S39 VanDerWaalsContact CE-CB 3.41Å; K30-S39 WeakPolarHBondContact CE-OG 3.45Å; K30-S39 PolarHBondContact NZ-OG 2.81Å; E35-S39 WeakPolarHBondContact O-CB 3.24Å; E35-S39 PolarHBondContact O-N 3.09Å; Q36-S39 WeakPolarHBondContact O-CB 3.47Å; Q36-S39 PolarHBondContact O-N 2.98Å; I37-S39 VanDerWaalsContact C-N 3.34Å; I37-S39 PolarHBondContact O-N 3.34Å; S39-R42 PolarHBondContact O-N 3.33Å; S39-T43 WeakPolarHBondContact O-CB 3.44Å; S39-T43 PolarHBondContact O-N 2.67Å; S39-T43 PolarHBondContact O-OG1 3.45Å
40D94.3Very high91.7Very high22 Ų2245.8 Ų45.812%0.11823%0.227CC..Hα-helixtrans-68.8-38178.8-67.4-3.7000110.8K30 Q36 I37 N38 T43 R44 P202 L203K30-D40 IonicContact NZ-OD1 2.71Å; K30-D40 PolarHBondContact NZ-OD1 3.15Å; Q36-D40 WeakPolarHBondContact O-CB 3.21Å; Q36-D40 PolarHBondContact O-N 3.2Å; I37-D40 PolarHBondContact O-N 3.29Å; N38-D40 VanDerWaalsContact C-N 3.31Å; N38-D40 PolarHBondContact O-N 3.41Å; D40-T43 WeakPolarHBondContact O-CB 3.39Å; D40-T43 PolarHBondContact O-N 3.27Å; D40-R44 PolarHBondContact O-N 2.91Å; D40-P202 HydrophobicContact CB-CG 3.69Å; D40-L203 HydrophobicContact CB-CD1 4.02Å; D40-L203 HydrophobicContact CB-CG 4.09Å; D40-L203 WeakPolarHBondContact O-CD2 3.31Å
41H93.4Very high92Very high29 Ų2949.4 Ų49.413%0.13425%0.246CC..Hα-helixtrans-65.5-44.3171.4-85-70.6000113.1I37 N38 T43 R44 A45 M127 V128 R199 P202I37-H41 PolarHBondContact O-CD2 3.27Å; I37-H41 VanDerWaalsContact O-CD2 3.26Å; I37-H41 PolarHBondContact O-N 3.25Å; N38-H41 PolarHBondContact O-N 3.28Å; H41-T43 PolarHBondContact O-N 2.86Å; H41-R44 WeakPolarHBondContact O-CB 3.32Å; H41-R44 PolarHBondContact O-N 2.97Å; H41-R44 VanDerWaalsContact O-N 3.17Å; H41-A45 PolarHBondContact O-N 2.68Å; H41-M127 HydrophobicContact CB-CB 3.73Å; H41-M127 HydrophobicContact CB-CG 4.36Å; H41-V128 WeakPolarHBondContact NE2-CG1 3.4Å; H41-R199 PolarHBondContact NE2-O 3.11Å; H41-P202 HydrophobicContact CB-CG 4.49Å
42R90.9Very high92.4Very high37 Ų3749.3 Ų49.314%0.1424%0.241CC..Hα-helixtrans-57.3-43.3172.4-74.7-172.5-63.9-100.22.8111E25 N38 S39 A45 M46 M127E25-R42 IonicContact OE1-CZ 2.86Å; E25-R42 VanDerWaalsContact OE1-CZ 3.28Å; E25-R42 IonicContact OE1-NE 3.78Å; E25-R42 PolarHBondContact OE1-NE 3.41Å; E25-R42 IonicContact OE1-NH2 3.65Å; E25-R42 PolarHBondContact OE1-NH2 2.94Å; N38-R42 WeakPolarHBondContact O-CG 3.44Å; N38-R42 PolarHBondContact O-N 2.95Å; S39-R42 PolarHBondContact O-N 3.33Å; R42-A45 PolarHBondContact O-N 3.41Å; R42-M46 WeakPolarHBondContact O-CG 3.31Å; R42-M46 PolarHBondContact O-N 3.36Å; R42-M127 HydrophobicContact CG-CE 3.87Å; R42-M127 HydrophobicContact CG-CG 4.26Å; R42-M127 HydrophobicContact CG-SD 3.99Å
43T93.4Very high92.8Very high1 Ų148 Ų481%0.00623%0.233CC..Hα-helixtrans-64.6-39.8177.8-60.70000111.7K22 S39 D40 H41 M46 L47 L203K22-T43 HydrophobicContact CD-CG2 4.01Å; K22-T43 HydrophobicContact CG-CG2 3.91Å; S39-T43 WeakPolarHBondContact O-CB 3.44Å; S39-T43 PolarHBondContact O-N 2.67Å; S39-T43 PolarHBondContact O-OG1 3.45Å; D40-T43 WeakPolarHBondContact O-CB 3.39Å; D40-T43 PolarHBondContact O-N 3.27Å; H41-T43 PolarHBondContact O-N 2.86Å; T43-M46 PolarHBondContact O-N 2.83Å; T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 2.96Å; T43-L203 HydrophobicContact CG2-CD1 4.26Å; T43-L203 HydrophobicContact CG2-CD2 3.75Å
44R94.4Very high93.1Very high83 Ų8346.4 Ų46.431%0.31323%0.227SC..Hα-helixtrans-59.4-50.2173-177.6-177.6178.3114.2-11.2111.1D40 H41 M46 L47 D48 P202 L203D40-R44 PolarHBondContact O-N 2.91Å; H41-R44 WeakPolarHBondContact O-CB 3.32Å; H41-R44 PolarHBondContact O-N 2.97Å; H41-R44 VanDerWaalsContact O-N 3.17Å; R44-M46 VanDerWaalsContact C-N 3.28Å; R44-M46 PolarHBondContact O-N 3.37Å; R44-L47 WeakPolarHBondContact O-CA 3.42Å; R44-L47 WeakPolarHBondContact O-CB 3.41Å; R44-L47 PolarHBondContact O-N 2.8Å; R44-D48 IonicContact NE-OD2 2.72Å; R44-D48 PolarHBondContact O-N 3.33Å; R44-P202 HydrophobicContact CB-CB 4.25Å; R44-P202 WeakPolarHBondContact CD-O 3.14Å; R44-P202 PolarHBondContact NH1-O 2.81Å; R44-L203 HydrophobicContact CB-CD2 4.2Å
45A92.4Very high93.5Very high53 Ų5346.3 Ų46.344%0.43823%0.232SC..Hα-helixtrans-58.7-38.8178.300000112.6H41 R42 L47 R49H41-A45 PolarHBondContact O-N 2.68Å; R42-A45 PolarHBondContact O-N 3.41Å; A45-L47 VanDerWaalsContact C-N 3.34Å; A45-R49 WeakPolarHBondContact O-CB 3.28Å; A45-R49 PolarHBondContact O-N 2.98Å
46M93.2Very high93.7Very high19 Ų1947 Ų479%0.09424%0.24CC..Hα-helixtrans-65.1-37173.3-67.7178.6-160.600112.4L18 A21 K22 R42 T43 R44 Y50 L113L18-M46 HydrophobicContact CD2-CB 4.03Å; L18-M46 HydrophobicContact CD2-CG 4.23Å; A21-M46 HydrophobicContact CB-CE 4.31Å; A21-M46 HydrophobicContact CB-SD 3.87Å; K22-M46 HydrophobicContact CB-SD 4.35Å; R42-M46 WeakPolarHBondContact O-CG 3.31Å; R42-M46 PolarHBondContact O-N 3.36Å; T43-M46 PolarHBondContact O-N 2.83Å; R44-M46 VanDerWaalsContact C-N 3.28Å; R44-M46 PolarHBondContact O-N 3.37Å; M46-Y50 VanDerWaalsContact O-CB 3.3Å; M46-Y50 WeakPolarHBondContact O-CB 3.37Å; M46-Y50 PolarHBondContact O-N 2.63Å; M46-L113 HydrophobicContact CE-CD1 4.34Å
47L93.9Very high93.8Very high50 Ų5043 Ų4326%0.26222%0.221SC..Hα-helixtrans-69.3-42.6177.2-74.4167000112.1K22 T43 R44 A45 Y50 M51 L203K22-L47 HydrophobicContact CD-CD2 3.94Å; K22-L47 HydrophobicContact CD-CG 4.24Å; T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 2.96Å; R44-L47 WeakPolarHBondContact O-CA 3.42Å; R44-L47 WeakPolarHBondContact O-CB 3.41Å; R44-L47 PolarHBondContact O-N 2.8Å; A45-L47 VanDerWaalsContact C-N 3.34Å; L47-Y50 WeakPolarHBondContact O-CB 3.31Å; L47-Y50 PolarHBondContact O-N 2.76Å; L47-Y50 VanDerWaalsContact O-N 3.14Å; L47-M51 WeakPolarHBondContact O-CG 3.46Å; L47-M51 PolarHBondContact O-N 2.94Å; L47-L203 HydrophobicContact CD1-CD2 4.03Å
48D94.4Very high93.9Very high70 Ų7050.1 Ų50.137%0.37425%0.248SC..Hα-helixtrans-60.2-49.1176.3-66.3-22.8000110R44 Y50 M51 D52R44-D48 IonicContact NE-OD2 2.72Å; R44-D48 PolarHBondContact O-N 3.33Å; D48-Y50 VanDerWaalsContact C-N 3.29Å; D48-Y50 PolarHBondContact O-N 2.93Å; D48-M51 WeakPolarHBondContact O-CB 3.34Å; D48-M51 PolarHBondContact O-N 2.98Å; D48-M51 VanDerWaalsContact O-N 3.09Å; D48-D52 PolarHBondContact O-N 3.44Å
49R94.4Very high93.9Very high83 Ų8355 Ų5531%0.31327%0.27SS..Hα-helixtrans-58.1-40.7173.6-171.4174.4172.9176.81.4111.9E14 L18 A45 M51 D52 V53 E109E14-R49 IonicContact OE1-CZ 2.95Å; E14-R49 IonicContact OE1-NE 3.18Å; E14-R49 PolarHBondContact OE1-NE 2.86Å; E14-R49 IonicContact OE1-NH2 3.73Å; E14-R49 PolarHBondContact OE1-NH2 3.48Å; L18-R49 HydrophobicContact CD1-CB 4.27Å; L18-R49 HydrophobicContact CD1-CG 3.96Å; L18-R49 HydrophobicContact CD2-CB 4.31Å; L18-R49 HydrophobicContact CD2-CG 4.34Å; A45-R49 WeakPolarHBondContact O-CB 3.28Å; A45-R49 PolarHBondContact O-N 2.98Å; R49-M51 VanDerWaalsContact C-N 3.34Å; R49-M51 PolarHBondContact O-N 3.27Å; R49-D52 PolarHBondContact O-N 3.44Å; R49-V53 HydrophobicContact CG-CG2 4.44Å; R49-V53 WeakPolarHBondContact O-CB 3.48Å; R49-V53 WeakPolarHBondContact O-CG2 3.49Å; R49-V53 PolarHBondContact O-N 3.49Å; R49-E109 IonicContact CZ-OE2 3.18Å; R49-E109 IonicContact NH1-OE2 3.33Å; R49-E109 PolarHBondContact NH1-OE2 3.45Å; R49-E109 IonicContact NH2-OE2 3.1Å; R49-E109 PolarHBondContact NH2-OE2 3.45Å
50Y95.8Very high93.7Very high65 Ų6556.4 Ų56.426%0.25528%0.282SS..Hα-helixtrans-63.9-39177.1-178.6-84.1000112.3K15 L18 L19 M46 L47 D48 S54K15-Y50 HydrophobicContact CB-CD2 4.05Å; K15-Y50 HydrophobicContact CB-CE2 3.66Å; K15-Y50 HydrophobicContact CD-CE2 4.39Å; K15-Y50 VanDerWaalsContact CE-CZ 3.43Å; K15-Y50 VanDerWaalsContact CE-OH 3.29Å; K15-Y50 WeakPolarHBondContact CE-OH 3.29Å; K15-Y50 HydrophobicContact CG-CD2 4.03Å; K15-Y50 HydrophobicContact CG-CE2 3.86Å; L18-Y50 HydrophobicContact CB-CD2 4.16Å; L18-Y50 HydrophobicContact CD1-CD2 4.49Å; L19-Y50 HydrophobicContact CD1-CE2 3.84Å; L19-Y50 HydrophobicContact CD2-CD2 4.38Å; L19-Y50 HydrophobicContact CD2-CE2 3.95Å; L19-Y50 HydrophobicContact CG-CD2 4.19Å; L19-Y50 HydrophobicContact CG-CE2 3.65Å; M46-Y50 VanDerWaalsContact O-CB 3.3Å; M46-Y50 WeakPolarHBondContact O-CB 3.37Å; M46-Y50 PolarHBondContact O-N 2.63Å; L47-Y50 WeakPolarHBondContact O-CB 3.31Å; L47-Y50 PolarHBondContact O-N 2.76Å; L47-Y50 VanDerWaalsContact O-N 3.14Å; D48-Y50 VanDerWaalsContact C-N 3.29Å; D48-Y50 PolarHBondContact O-N 2.93Å; Y50-S54 WeakPolarHBondContact CE1-OG 3.49Å; Y50-S54 WeakPolarHBondContact O-CB 3.39Å; Y50-S54 PolarHBondContact O-N 2.96Å; Y50-S54 PolarHBondContact O-OG 3.38Å
51M95.3Very high93.5Very high126 Ų12659.6 Ų59.662%0.62129%0.293SS*.Hα-helixtrans-66.6-44.9176.9-72.9179.96100111.3L47 D48 R49 S54 S55L47-M51 WeakPolarHBondContact O-CG 3.46Å; L47-M51 PolarHBondContact O-N 2.94Å; D48-M51 WeakPolarHBondContact O-CB 3.34Å; D48-M51 PolarHBondContact O-N 2.98Å; D48-M51 VanDerWaalsContact O-N 3.09Å; R49-M51 VanDerWaalsContact C-N 3.34Å; R49-M51 PolarHBondContact O-N 3.27Å; M51-S54 WeakPolarHBondContact O-CB 3.44Å; M51-S54 PolarHBondContact O-N 3.38Å; M51-S55 PolarHBondContact O-N 2.96Å
52D96.1Very high93.4Very high110 Ų11062.8 Ų62.859%0.58831%0.308SS*.Hα-helixtrans-62-48.1178.1-71.5-18.7000112D48 R49 S54 S55 T56D48-D52 PolarHBondContact O-N 3.44Å; R49-D52 PolarHBondContact O-N 3.44Å; D52-S54 VanDerWaalsContact C-N 3.3Å; D52-S54 PolarHBondContact O-N 2.93Å; D52-S55 PolarHBondContact O-N 3.23Å; D52-T56 PolarHBondContact O-N 3.38Å; D52-T56 PolarHBondContact O-OG1 3.43Å
53V95.4Very high93.3Very high10 Ų1061.7 Ų61.76%0.06131%0.305CS..Hα-helixtrans-62.2-41.1175.8176.90000110.1Y11 E14 K15 R49 S55 T56 V57Y11-V53 HydrophobicContact CD1-CG1 3.93Å; Y11-V53 HydrophobicContact CG-CG1 4.15Å; Y11-V53 WeakPolarHBondContact O-CG1 3.44Å; E14-V53 HydrophobicContact CG-CG2 4.3Å; K15-V53 HydrophobicContact CD-CG1 4.14Å; K15-V53 HydrophobicContact CG-CB 4.26Å; K15-V53 HydrophobicContact CG-CG1 3.68Å; R49-V53 HydrophobicContact CG-CG2 4.44Å; R49-V53 WeakPolarHBondContact O-CB 3.48Å; R49-V53 WeakPolarHBondContact O-CG2 3.49Å; R49-V53 PolarHBondContact O-N 3.49Å; V53-S55 PolarHBondContact O-N 3.02Å; V53-T56 PolarHBondContact O-N 2.9Å; V53-V57 HydrophobicContact CG1-CG2 4.27Å; V53-V57 WeakPolarHBondContact O-CB 3.45Å; V53-V57 WeakPolarHBondContact O-CG2 3.25Å; V53-V57 PolarHBondContact O-N 3.42Å
54S95.9Very high93Very high30 Ų3070 Ų7021%0.2134%0.341CS..Hα-helixtrans-64.1-38.5177.5-66.90000112.9K15 Y50 M51 D52 R58K15-S54 WeakPolarHBondContact CE-OG 3.44Å; K15-S54 PolarHBondContact NZ-OG 3.38Å; Y50-S54 WeakPolarHBondContact CE1-OG 3.49Å; Y50-S54 WeakPolarHBondContact O-CB 3.39Å; Y50-S54 PolarHBondContact O-N 2.96Å; Y50-S54 PolarHBondContact O-OG 3.38Å; M51-S54 WeakPolarHBondContact O-CB 3.44Å; M51-S54 PolarHBondContact O-N 3.38Å; D52-S54 VanDerWaalsContact C-N 3.3Å; D52-S54 PolarHBondContact O-N 2.93Å; S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.04Å
55S95.7Very high92.7Very high36 Ų3671.2 Ų71.225%0.25235%0.354SS..Hα-helixtrans-66.2-45.8175-164.10000111M51 D52 V53 V57 R58 E59M51-S55 PolarHBondContact O-N 2.96Å; D52-S55 PolarHBondContact O-N 3.23Å; V53-S55 PolarHBondContact O-N 3.02Å; S55-V57 VanDerWaalsContact C-N 3.33Å; S55-V57 PolarHBondContact O-N 3.25Å; S55-R58 WeakPolarHBondContact O-CB 3.48Å; S55-R58 PolarHBondContact O-N 2.93Å; S55-R58 PolarHBondContact OG-NH2 2.85Å; S55-E59 WeakPolarHBondContact O-CG 3.43Å; S55-E59 PolarHBondContact O-N 3.21Å; S55-E59 PolarHBondContact OG-OE1 3.08Å
56T93Very high92.5Very high58 Ų5869.6 Ų69.636%0.35634%0.343SS..Hα-helixtrans-59.1-44.1177.9-54.90000111.5Y11 D52 V53 E59 A60Y11-T56 HydrophobicContact CD2-CG2 4.49Å; Y11-T56 HydrophobicContact CE1-CG2 4.48Å; Y11-T56 HydrophobicContact CE2-CG2 3.84Å; D52-T56 PolarHBondContact O-N 3.38Å; D52-T56 PolarHBondContact O-OG1 3.43Å; V53-T56 PolarHBondContact O-N 2.9Å; T56-E59 PolarHBondContact O-N 3.33Å; T56-A60 WeakPolarHBondContact O-CB 3.35Å; T56-A60 PolarHBondContact O-N 3.43Å
57V92.7Very high92.2Very high6 Ų673.3 Ų73.34%0.03636%0.361CS..Hα-helixtrans-63.1-44.6176.6169.70000111.4Y11 V53 S55 E59 A60 Y61Y11-V57 HydrophobicContact CD2-CG2 3.95Å; Y11-V57 HydrophobicContact CG-CG2 3.83Å; V53-V57 HydrophobicContact CG1-CG2 4.27Å; V53-V57 WeakPolarHBondContact O-CB 3.45Å; V53-V57 WeakPolarHBondContact O-CG2 3.25Å; V53-V57 PolarHBondContact O-N 3.42Å; S55-V57 VanDerWaalsContact C-N 3.33Å; S55-V57 PolarHBondContact O-N 3.25Å; V57-E59 VanDerWaalsContact C-N 3.33Å; V57-E59 PolarHBondContact O-N 2.87Å; V57-A60 PolarHBondContact O-N 3.18Å; V57-Y61 HydrophobicContact CG1-CD2 3.59Å; V57-Y61 HydrophobicContact CG1-CE2 3.36Å; V57-Y61 WeakPolarHBondContact O-CD2 3.25Å; V57-Y61 PolarHBondContact O-N 2.97Å
58R93.9Very high91.8Very high153 Ų15374.5 Ų74.558%0.57736%0.362SS*.Hα-helixtrans-58.5-46.7177.2177.8-179.259.2-179-4.9110.8S54 S55 A60 Y61 E62S54-R58 WeakPolarHBondContact O-CB 3.38Å; S54-R58 PolarHBondContact O-N 3.04Å; S55-R58 WeakPolarHBondContact O-CB 3.48Å; S55-R58 PolarHBondContact O-N 2.93Å; S55-R58 PolarHBondContact OG-NH2 2.85Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.24Å; R58-Y61 PolarHBondContact O-N 3.44Å; R58-Y61 VanDerWaalsContact O-N 3.12Å; R58-E62 PolarHBondContact O-N 2.93Å
59E91.3Very high91.5Very high112 Ų11277.4 Ų77.452%0.52337%0.371SS..Hα-helixtrans-61.7-41176.6-71.1173.1-157.200112.1S55 T56 V57 Y61 E62S55-E59 WeakPolarHBondContact O-CG 3.43Å; S55-E59 PolarHBondContact O-N 3.21Å; S55-E59 PolarHBondContact OG-OE1 3.08Å; T56-E59 PolarHBondContact O-N 3.33Å; V57-E59 VanDerWaalsContact C-N 3.33Å; V57-E59 PolarHBondContact O-N 2.87Å; E59-Y61 PolarHBondContact O-N 3.15Å; E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 3.07Å
60A88.7Confident91.2Very high31 Ų3178 Ų7826%0.25638%0.381SS..Hα-helixtrans-64.2-25.9175.200000113.3Q8 T56 V57 R58Q8-A60 HydrophobicContact CG-CB 4.19Å; Q8-A60 PolarHBondContact NE2-O 3.34Å; T56-A60 WeakPolarHBondContact O-CB 3.35Å; T56-A60 PolarHBondContact O-N 3.43Å; V57-A60 PolarHBondContact O-N 3.18Å; R58-A60 VanDerWaalsContact C-N 3.34Å; R58-A60 PolarHBondContact O-N 3.24Å
61Y88.6Confident90.8Very high90 Ų9076 Ų7635%0.35337%0.374SS..Hα-helixtrans-84.7-26.2173.8-79.9-65.5000113.9Q8 H12 V57 R58 E59 D63 R68Q8-Y61 PolarHBondContact OE1-OH 3.42Å; H12-Y61 AromaticContact NE2-CE2 3.46Å; H12-Y61 WeakPolarHBondContact NE2-CE2 3.38Å; H12-Y61 AromaticContact NE2-CZ 3.61Å; H12-Y61 PolarHBondContact NE2-OH 3.5Å; V57-Y61 HydrophobicContact CG1-CD2 3.59Å; V57-Y61 HydrophobicContact CG1-CE2 3.36Å; V57-Y61 WeakPolarHBondContact O-CD2 3.25Å; V57-Y61 PolarHBondContact O-N 2.97Å; R58-Y61 PolarHBondContact O-N 3.44Å; R58-Y61 VanDerWaalsContact O-N 3.12Å; E59-Y61 PolarHBondContact O-N 3.15Å; Y61-D63 PolarHBondContact O-N 2.9Å; Y61-R68 VanDerWaalsContact CD1-CZ 3.49Å
62E91.4Very high90.4Very high96 Ų9674.2 Ų74.245%0.44937%0.366SS..Hα-helixtrans-61.5-27.8173.9-73.5179-176.800111.8R58 E59 K64R58-E62 PolarHBondContact O-N 2.93Å; E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 3.07Å; E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 HydrophobicContact CB-CG 4.43Å; E62-K64 PolarHBondContact O-N 3.29Å; E62-K64 WeakPolarHBondContact OE2-CE 3.43Å; E62-K64 IonicContact OE2-NZ 3.5Å; E62-K64 PolarHBondContact OE2-NZ 3.2Å
63D88.4Confident89.9Confident14 Ų1473.9 Ų73.98%0.07536%0.364CS..  trans52.147.9170.1-174.345.3000112.3Y61 D65 G66 M67 R68 K69Y61-D63 PolarHBondContact O-N 2.9Å; D63-D65 PolarHBondContact O-N 2.64Å; D63-G66 PolarHBondContact O-N 2.96Å; D63-G66 VanDerWaalsContact O-N 3.14Å; D63-G66 VanDerWaalsContact OD1-CA 3.25Å; D63-G66 WeakPolarHBondContact OD1-CA 3.47Å; D63-G66 PolarHBondContact OD1-N 3.1Å; D63-M67 PolarHBondContact OD1-N 3.16Å; D63-R68 HydrophobicContact CB-CB 4.25Å; D63-R68 WeakPolarHBondContact OD1-CB 3.23Å; D63-R68 PolarHBondContact OD1-N 3.48Å; D63-K69 VanDerWaalsContact OD2-CD 3.29Å; D63-K69 WeakPolarHBondContact OD2-CD 3.25Å; D63-K69 WeakPolarHBondContact OD2-CE 3.48Å; D63-K69 VanDerWaalsContact OD2-CG 3.24Å; D63-K69 WeakPolarHBondContact OD2-CG 3.43Å; D63-K69 IonicContact OD2-NZ 2.87Å
64K87.4Confident89.4Confident174 Ų17475.3 Ų75.376%0.75738%0.377SS*.THydrogen-bonded Turntrans-62.2-29.2-176.8-71.4178-179.3142.80112.8E62E62-K64 VanDerWaalsContact C-N 3.32Å; E62-K64 HydrophobicContact CB-CG 4.43Å; E62-K64 PolarHBondContact O-N 3.29Å; E62-K64 WeakPolarHBondContact OE2-CE 3.43Å; E62-K64 IonicContact OE2-NZ 3.5Å; E62-K64 PolarHBondContact OE2-NZ 3.2Å
65D87.5Confident88.8Confident110 Ų11077 Ų7759%0.58838%0.383SS*.THydrogen-bonded Turntrans-90.4-10.2178.759.11.1000113.5D63 M67D63-D65 PolarHBondContact O-N 2.64Å; D65-M67 HydrophobicContact CB-CG 3.97Å; D65-M67 VanDerWaalsContact CG-CG 3.45Å; D65-M67 PolarHBondContact O-N 2.92Å; D65-M67 PolarHBondContact OD1-N 3.09Å; D65-M67 WeakPolarHBondContact OD2-CG 3.43Å
66G88.5Confident88.3Confident19 Ų1979.3 Ų79.320%0.19640%0.4CS..SBendtrans74.11.1-179.400000114.6D63 R68 K69 D70D63-G66 PolarHBondContact O-N 2.96Å; D63-G66 VanDerWaalsContact O-N 3.14Å; D63-G66 VanDerWaalsContact OD1-CA 3.25Å; D63-G66 WeakPolarHBondContact OD1-CA 3.47Å; D63-G66 PolarHBondContact OD1-N 3.1Å; G66-R68 VanDerWaalsContact C-N 3.26Å; G66-R68 PolarHBondContact O-N 3.28Å; G66-K69 WeakPolarHBondContact O-CB 3.42Å; G66-K69 PolarHBondContact O-N 3.25Å; G66-K69 VanDerWaalsContact O-N 3.17Å; G66-D70 PolarHBondContact O-N 3.16Å; G66-D70 VanDerWaalsContact O-N 3.08Å
67M86.9Confident87.7Confident97 Ų9777.5 Ų77.548%0.47839%0.393SS..Hα-helixtrans-66.8-30.2-171.8-67.1-72.716600112I4 D63 D65 D70 E71I4-M67 HydrophobicContact CD1-CB 3.37Å; D63-M67 PolarHBondContact OD1-N 3.16Å; D65-M67 HydrophobicContact CB-CG 3.97Å; D65-M67 VanDerWaalsContact CG-CG 3.45Å; D65-M67 PolarHBondContact O-N 2.92Å; D65-M67 PolarHBondContact OD1-N 3.09Å; D65-M67 WeakPolarHBondContact OD2-CG 3.43Å; M67-D70 PolarHBondContact O-N 3.37Å; M67-E71 WeakPolarHBondContact O-CB 3.27Å; M67-E71 PolarHBondContact O-N 3.5Å
68R87Confident87.1Confident74 Ų7483.7 Ų83.728%0.27943%0.433SS..Hα-helixtrans-67.4-42.2176.3-174.5-168.6172.9-129.2-11.9111I4 L5 Y61 D63 G66 E71 L72I4-R68 HydrophobicContact CG2-CB 4.18Å; I4-R68 HydrophobicContact CG2-CG 4.28Å; L5-R68 HydrophobicContact CD2-CG 4.49Å; Y61-R68 VanDerWaalsContact CD1-CZ 3.49Å; D63-R68 HydrophobicContact CB-CB 4.25Å; D63-R68 WeakPolarHBondContact OD1-CB 3.23Å; D63-R68 PolarHBondContact OD1-N 3.48Å; G66-R68 VanDerWaalsContact C-N 3.26Å; G66-R68 PolarHBondContact O-N 3.28Å; R68-E71 PolarHBondContact O-N 3.16Å; R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 2.93Å
69K88.2Confident86.5Confident131 Ų13182.3 Ų82.357%0.5744%0.437SS*.Hα-helixtrans-63.6-43.2175.5-77.1165.7-169.5162.90111D63 G66 L72 N73D63-K69 VanDerWaalsContact OD2-CD 3.29Å; D63-K69 WeakPolarHBondContact OD2-CD 3.25Å; D63-K69 WeakPolarHBondContact OD2-CE 3.48Å; D63-K69 VanDerWaalsContact OD2-CG 3.24Å; D63-K69 WeakPolarHBondContact OD2-CG 3.43Å; D63-K69 IonicContact OD2-NZ 2.87Å; G66-K69 WeakPolarHBondContact O-CB 3.42Å; G66-K69 PolarHBondContact O-N 3.25Å; G66-K69 VanDerWaalsContact O-N 3.17Å; K69-L72 PolarHBondContact O-N 2.91Å; K69-N73 WeakPolarHBondContact O-CB 3.19Å; K69-N73 PolarHBondContact O-N 2.86Å; K69-N73 PolarHBondContact O-ND2 2.94Å
70D87.9Confident86.1Confident97 Ų9781.5 Ų81.552%0.51943%0.433SS..Hα-helixtrans-63.1-43.4178.4-72.3-13.9000111.6G66 M67 L72 N73 A74G66-D70 PolarHBondContact O-N 3.16Å; G66-D70 VanDerWaalsContact O-N 3.08Å; M67-D70 PolarHBondContact O-N 3.37Å; D70-L72 PolarHBondContact O-N 2.84Å; D70-N73 PolarHBondContact O-N 2.88Å; D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 3.37Å
71E87.4Confident85.9Confident22 Ų2287.4 Ų87.410%0.10345%0.453CS..Hα-helixtrans-62.1-44.3174.5-168.1-174.4170.800111.6T3 I4 L5 M67 R68 N73 A74 I75 R87T3-E71 WeakPolarHBondContact CB-OE1 3.27Å; I4-E71 WeakPolarHBondContact CB-OE2 3.33Å; I4-E71 PolarHBondContact N-OE2 3.08Å; L5-E71 PolarHBondContact N-OE2 2.9Å; M67-E71 WeakPolarHBondContact O-CB 3.27Å; M67-E71 PolarHBondContact O-N 3.5Å; R68-E71 PolarHBondContact O-N 3.16Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.69Å; E71-A74 WeakPolarHBondContact O-CB 3.23Å; E71-A74 PolarHBondContact O-N 2.95Å; E71-I75 HydrophobicContact CG-CD1 4.16Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 2.98Å; E71-R87 IonicContact OE1-CZ 3.1Å; E71-R87 IonicContact OE1-NH1 3.71Å; E71-R87 PolarHBondContact OE1-NH1 3.36Å; E71-R87 IonicContact OE1-NH2 3.6Å
72L86.2Confident85.7Confident88 Ų8885.7 Ų85.746%0.46146%0.457SS..Hα-helixtrans-63.5-40.8179.2-171.567.5000111.8R68 K69 D70 A74 I75 S76R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 PolarHBondContact O-N 2.93Å; K69-L72 PolarHBondContact O-N 2.91Å; D70-L72 PolarHBondContact O-N 2.84Å; L72-A74 VanDerWaalsContact C-N 3.32Å; L72-I75 PolarHBondContact O-N 2.83Å; L72-S76 PolarHBondContact O-N 3.24Å
73N86.6Confident85.4Confident103 Ų10384 Ų8455%0.55145%0.449SS*.Hα-helixtrans-66.8-33.2175.9-71.2-25.9000112.2K69 D70 E71 I75 S76 G77K69-N73 WeakPolarHBondContact O-CB 3.19Å; K69-N73 PolarHBondContact O-N 2.86Å; K69-N73 PolarHBondContact O-ND2 2.94Å; D70-N73 PolarHBondContact O-N 2.88Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.69Å; N73-I75 VanDerWaalsContact C-N 3.34Å; N73-S76 CarbonylContact O-C 3.53Å; N73-G77 WeakPolarHBondContact O-CA 3.37Å; N73-G77 PolarHBondContact O-N 3.22Å
74A84.3Confident85.2Confident41 Ų4189.3 Ų89.334%0.33947%0.472SS..Hα-helixtrans-67.9-35.317400000111.9D70 E71 L72D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 3.37Å; E71-A74 WeakPolarHBondContact O-CB 3.23Å; E71-A74 PolarHBondContact O-N 2.95Å; L72-A74 VanDerWaalsContact C-N 3.32Å
75I84Confident85.3Confident65 Ų6588 Ų8833%0.33346%0.464SS..Hα-helixtrans-75.9-45.7177.4-63.4165.4000111.3L5 E71 L72 N73 E80L5-I75 HydrophobicContact CD1-CD1 3.43Å; L5-I75 VanDerWaalsContact CD1-CD1 3.43Å; E71-I75 HydrophobicContact CG-CD1 4.16Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 2.98Å; L72-I75 PolarHBondContact O-N 2.83Å; N73-I75 VanDerWaalsContact C-N 3.34Å; I75-E80 VanDerWaalsContact O-CG 3.32Å; I75-E80 WeakPolarHBondContact O-CG 3.04Å
76S84.3Confident85.2Confident85 Ų8587.1 Ų87.159%0.59446%0.459SS*.SBendtrans-104.649.3-176.8-161.40000111.6L72 N73L72-S76 PolarHBondContact O-N 3.24Å; N73-S76 CarbonylContact O-C 3.53Å
77G80.3Confident85Confident20 Ų2088.6 Ų88.621%0.20646%0.458CS..SBendtrans-115.6-176-178.200000113N73 N79 E80N73-G77 WeakPolarHBondContact O-CA 3.37Å; N73-G77 PolarHBondContact O-N 3.22Å; G77-N79 PolarHBondContact O-N 3.07Å; G77-N79 VanDerWaalsContact O-N 3.13Å; G77-E80 WeakPolarHBondContact O-CG 3.35Å
78P79.6Confident85Confident136 Ų13686.5 Ų86.588%0.88345%0.449SS*.THydrogen-bonded Turntrans-64.3-18.5179.5-2233.1000114.9
79N82.3Confident85.2Confident123 Ų12389.1 Ų89.166%0.65846%0.462SS*.THydrogen-bonded Turntrans-11733.8-172-68.5-28.6000113.2G77 F81 A82 E83G77-N79 PolarHBondContact O-N 3.07Å; G77-N79 VanDerWaalsContact O-N 3.13Å; N79-F81 VanDerWaalsContact C-N 3.29Å; N79-F81 PolarHBondContact O-N 3.32Å; N79-A82 HydrophobicContact CB-CB 4.48Å; N79-A82 PolarHBondContact O-N 3.3Å; N79-A82 VanDerWaalsContact O-N 3.08Å; N79-E83 PolarHBondContact O-N 3.21Å
80E82.8Confident85.1Confident95 Ų9587.6 Ų87.644%0.44446%0.457SS..Hα-helixtrans-51-44.9-174-44.8-174.4151.900113.1I75 G77 A82 E83 F84I75-E80 VanDerWaalsContact O-CG 3.32Å; I75-E80 WeakPolarHBondContact O-CG 3.04Å; G77-E80 WeakPolarHBondContact O-CG 3.35Å; E80-A82 PolarHBondContact O-N 2.99Å; E80-E83 PolarHBondContact O-N 3.48Å; E80-F84 WeakPolarHBondContact O-CB 3.45Å; E80-F84 PolarHBondContact O-N 3.18Å
81F83.6Confident85Confident156 Ų15686.6 Ų86.668%0.68445%0.451SS*.Hα-helixtrans-64-41.3-178.9-73.3-73.8000112.5N79 F84 Y85N79-F81 VanDerWaalsContact C-N 3.29Å; N79-F81 PolarHBondContact O-N 3.32Å; F81-F84 PolarHBondContact O-N 3.31Å; F81-Y85 HydrophobicContact CB-CE2 4.45Å; F81-Y85 WeakPolarHBondContact O-CD2 2.94Å; F81-Y85 PolarHBondContact O-N 3.32Å
82A86.2Confident85Confident53 Ų5392 Ų9244%0.43847%0.474SS..Hα-helixtrans-65.8-42.5-18000000110.9N79 E80 Y85 N86N79-A82 HydrophobicContact CB-CB 4.48Å; N79-A82 PolarHBondContact O-N 3.3Å; N79-A82 VanDerWaalsContact O-N 3.08Å; E80-A82 PolarHBondContact O-N 2.99Å; A82-Y85 PolarHBondContact O-N 2.61Å; A82-N86 WeakPolarHBondContact O-CB 3.37Å; A82-N86 PolarHBondContact O-N 3.34Å; A82-N86 PolarHBondContact O-ND2 3.38Å
83E84.4Confident85.2Confident60 Ų6092 Ų9228%0.2847%0.472SS..Hα-helixtrans-62.7-44.7176.3-177.562.8-169.800111.6N79 E80 Y85 N86 R87N79-E83 PolarHBondContact O-N 3.21Å; E80-E83 PolarHBondContact O-N 3.48Å; E83-Y85 PolarHBondContact O-N 3.4Å; E83-N86 PolarHBondContact O-N 3.26Å; E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; E83-R87 IonicContact OE1-CZ 2.88Å; E83-R87 IonicContact OE1-NE 3.88Å; E83-R87 PolarHBondContact OE1-NE 2.92Å; E83-R87 IonicContact OE1-NH2 3.79Å; E83-R87 PolarHBondContact OE1-NH2 3.11Å
84F83.6Confident85Confident127 Ų12791 Ų9156%0.55746%0.463SS*.Hα-helixtrans-58-48.2175.7-180-94.6000112.4E80 F81 N86 R87 L88E80-F84 WeakPolarHBondContact O-CB 3.45Å; E80-F84 PolarHBondContact O-N 3.18Å; F81-F84 PolarHBondContact O-N 3.31Å; F84-N86 VanDerWaalsContact C-N 3.33Å; F84-N86 PolarHBondContact O-N 3.31Å; F84-R87 PolarHBondContact O-N 2.95Å; F84-L88 HydrophobicContact CE1-CD2 4.27Å; F84-L88 WeakPolarHBondContact O-CB 3.27Å; F84-L88 PolarHBondContact O-N 2.92Å
85Y89.1Confident85Confident147 Ų14794.7 Ų94.758%0.57647%0.473SS*.Hα-helixtrans-66.9-33.5179.6-74.3-62.5000112.7F81 A82 E83 L88 K89F81-Y85 HydrophobicContact CB-CE2 4.45Å; F81-Y85 WeakPolarHBondContact O-CD2 2.94Å; F81-Y85 PolarHBondContact O-N 3.32Å; A82-Y85 PolarHBondContact O-N 2.61Å; E83-Y85 PolarHBondContact O-N 3.4Å; Y85-L88 HydrophobicContact CD1-CD2 4.46Å; Y85-K89 WeakPolarHBondContact O-CB 3.14Å; Y85-K89 PolarHBondContact O-N 3.17Å
86N86.1Confident85.2Confident90 Ų90101.5 Ų101.548%0.48149%0.494SS..Hα-helixtrans-63.3-48.2173.9-73.4-24.2000111.4A82 E83 F84 K89 Q90A82-N86 WeakPolarHBondContact O-CB 3.37Å; A82-N86 PolarHBondContact O-N 3.34Å; A82-N86 PolarHBondContact O-ND2 3.38Å; E83-N86 PolarHBondContact O-N 3.26Å; F84-N86 VanDerWaalsContact C-N 3.33Å; F84-N86 PolarHBondContact O-N 3.31Å; N86-K89 WeakPolarHBondContact O-CB 3.19Å; N86-K89 PolarHBondContact O-N 3.46Å; N86-Q90 WeakPolarHBondContact O-CG 3.39Å; N86-Q90 PolarHBondContact O-N 3.37Å; N86-Q90 VanDerWaalsContact O-N 3.07Å
87R83.9Confident85.4Confident51 Ų51105.2 Ų105.219%0.19250%0.5CS..Hα-helixtrans-62.4-43.8176.1-66.9179.6-171.4-152.22.8111.6E71 E83 F84 K89 Q90 I91E71-R87 IonicContact OE1-CZ 3.1Å; E71-R87 IonicContact OE1-NH1 3.71Å; E71-R87 PolarHBondContact OE1-NH1 3.36Å; E71-R87 IonicContact OE1-NH2 3.6Å; E83-R87 WeakPolarHBondContact O-CG 3.13Å; E83-R87 PolarHBondContact O-N 3.34Å; E83-R87 IonicContact OE1-CZ 2.88Å; E83-R87 IonicContact OE1-NE 3.88Å; E83-R87 PolarHBondContact OE1-NE 2.92Å; E83-R87 IonicContact OE1-NH2 3.79Å; E83-R87 PolarHBondContact OE1-NH2 3.11Å; F84-R87 PolarHBondContact O-N 2.95Å; R87-K89 VanDerWaalsContact C-N 3.31Å; R87-K89 PolarHBondContact O-N 3.4Å; R87-Q90 WeakPolarHBondContact O-CB 3.38Å; R87-Q90 PolarHBondContact O-N 3.43Å; R87-I91 WeakPolarHBondContact O-CG1 3.14Å; R87-I91 PolarHBondContact O-N 3.15Å
88L87.8Confident85.5Confident53 Ų53108.1 Ų108.128%0.27751%0.508SS..Hα-helixtrans-61.3-39.6176.8-178.563000112F84 Y85 I91 K92F84-L88 HydrophobicContact CE1-CD2 4.27Å; F84-L88 WeakPolarHBondContact O-CB 3.27Å; F84-L88 PolarHBondContact O-N 2.92Å; Y85-L88 HydrophobicContact CD1-CD2 4.46Å; L88-I91 PolarHBondContact O-N 3.42Å; L88-K92 HydrophobicContact CG-CD 4.37Å; L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.39Å
89K90.9Very high85.6Confident129 Ų129106.3 Ų106.356%0.56150%0.496SS*.Hα-helixtrans-62.4-45.2175.9-176.5-178.8173.3-172.70111Y85 N86 R87 I91 K92 E93Y85-K89 WeakPolarHBondContact O-CB 3.14Å; Y85-K89 PolarHBondContact O-N 3.17Å; N86-K89 WeakPolarHBondContact O-CB 3.19Å; N86-K89 PolarHBondContact O-N 3.46Å; R87-K89 VanDerWaalsContact C-N 3.31Å; R87-K89 PolarHBondContact O-N 3.4Å; K89-I91 PolarHBondContact O-N 2.93Å; K89-K92 PolarHBondContact O-N 3.45Å; K89-E93 WeakPolarHBondContact CE-OE1 3.45Å; K89-E93 WeakPolarHBondContact O-CG 3.49Å; K89-E93 PolarHBondContact O-N 3.14Å
90Q86.4Confident85.7Confident98 Ų98107.8 Ų107.846%0.45850%0.504SS..Hα-helixtrans-60.8-42.4175.9-71.2170-9.100112.1M1 N86 R87 E93 F94M1-Q90 HydrophobicContact CE-CB 3.44Å; M1-Q90 VanDerWaalsContact CE-CB 3.44Å; M1-Q90 HydrophobicContact CE-CG 4.48Å; M1-Q90 HydrophobicContact SD-CB 3.98Å; M1-Q90 PolarHBondContact SD-OE1 2.95Å; N86-Q90 WeakPolarHBondContact O-CG 3.39Å; N86-Q90 PolarHBondContact O-N 3.37Å; N86-Q90 VanDerWaalsContact O-N 3.07Å; R87-Q90 WeakPolarHBondContact O-CB 3.38Å; R87-Q90 PolarHBondContact O-N 3.43Å; Q90-E93 PolarHBondContact O-N 3.5Å; Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.17Å
91I84.6Confident85.4Confident77 Ų77108.8 Ų108.840%0.39551%0.508SS..Hα-helixtrans-60.9-46.6175.4-66.3168.6000110.8M1 R87 L88 K89 E93 F94 H95M1-I91 HydrophobicContact CE-CD1 4.4Å; M1-I91 HydrophobicContact CE-CG1 3.59Å; R87-I91 WeakPolarHBondContact O-CG1 3.14Å; R87-I91 PolarHBondContact O-N 3.15Å; L88-I91 PolarHBondContact O-N 3.42Å; K89-I91 PolarHBondContact O-N 2.93Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 3.35Å; I91-F94 WeakPolarHBondContact O-CB 3.45Å; I91-F94 PolarHBondContact O-N 3.49Å; I91-H95 PolarHBondContact O-CD2 2.89Å; I91-H95 PolarHBondContact O-N 3.39Å
92K87.9Confident84.9Confident135 Ų135108.2 Ų108.259%0.58751%0.511SS*.Hα-helixtrans-62-39.2177.6-73.9176.1178.4178.50112.2L88 K89 R96L88-K92 HydrophobicContact CG-CD 4.37Å; L88-K92 WeakPolarHBondContact O-CG 3.2Å; L88-K92 PolarHBondContact O-N 3.39Å; K89-K92 PolarHBondContact O-N 3.45Å; K92-R96 WeakPolarHBondContact O-CB 3.16Å; K92-R96 PolarHBondContact O-N 3.19Å
93E89.9Confident84.1Confident88 Ų88111 Ų11141%0.41153%0.526SS..Hα-helixtrans-67.3-39.4175.3-75.3176.7-173.400112K89 Q90 I91 R96 K97K89-E93 WeakPolarHBondContact CE-OE1 3.45Å; K89-E93 WeakPolarHBondContact O-CG 3.49Å; K89-E93 PolarHBondContact O-N 3.14Å; Q90-E93 PolarHBondContact O-N 3.5Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 3.35Å; E93-R96 PolarHBondContact O-N 3.07Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.44Å
94F83.6Confident83.6Confident82 Ų82112.6 Ų112.636%0.3654%0.54SS..Hα-helixtrans-61.1-50.6175.6-176.1-90.5000111.5Q90 I91 R96 K97 H98 E101Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.17Å; I91-F94 WeakPolarHBondContact O-CB 3.45Å; I91-F94 PolarHBondContact O-N 3.49Å; F94-R96 VanDerWaalsContact C-N 3.28Å; F94-R96 PolarHBondContact O-N 2.92Å; F94-K97 PolarHBondContact O-N 2.9Å; F94-K97 VanDerWaalsContact O-N 3.1Å; F94-H98 AromaticContact CD2-CE1 3.85Å; F94-H98 AromaticContact CD2-ND1 3.72Å; F94-H98 AromaticContact CE1-ND1 3.9Å; F94-H98 AromaticContact CE2-CE1 3.5Å; F94-H98 AromaticContact CE2-ND1 3.52Å; F94-H98 AromaticContact CZ-CE1 3.93Å; F94-H98 AromaticContact CZ-ND1 3.6Å; F94-H98 PolarHBondContact O-N 2.79Å; F94-H98 PolarHBondContact O-ND1 3.28Å; F94-H98 VanDerWaalsContact O-ND1 3.08Å; F94-E101 WeakPolarHBondContact CE1-OE2 3.42Å; F94-E101 WeakPolarHBondContact CZ-OE2 3.34Å
95H83.3Confident83.4Confident118 Ų118109.4 Ų109.455%0.54653%0.532SS..Hα-helixtrans-64.5-30.8176.6-83.3-72.4000113.2I91 H98I91-H95 PolarHBondContact O-CD2 2.89Å; I91-H95 PolarHBondContact O-N 3.39Å; H95-H98 CarbonylContact O-C 3.33Å
96R87.9Confident83.1Confident208 Ų208104 Ų10479%0.78551%0.512SS*.Hα-helixtrans-67.4-37173-175.6-175.5-71.5177.7-4.1111.9K92 E93 F94K92-R96 WeakPolarHBondContact O-CB 3.16Å; K92-R96 PolarHBondContact O-N 3.19Å; E93-R96 PolarHBondContact O-N 3.07Å; F94-R96 VanDerWaalsContact C-N 3.28Å; F94-R96 PolarHBondContact O-N 2.92Å
97K88.9Confident82.8Confident163 Ų163101.2 Ų101.271%0.70950%0.5SS*.Hα-helixtrans-74.7-31.1178.1-75.8-178.6179.1-179.70112.7E93 F94 P99E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.44Å; F94-K97 PolarHBondContact O-N 2.9Å; F94-K97 VanDerWaalsContact O-N 3.1Å; K97-P99 VanDerWaalsContact O-CD 3.23Å; K97-P99 WeakPolarHBondContact O-CD 3.18Å
98H83.9Confident82.7Confident81 Ų81103.4 Ų103.438%0.37551%0.514SS..  trans-119.565-177.8-50.796.6000111.5F94 H95 N100 E101F94-H98 AromaticContact CD2-CE1 3.85Å; F94-H98 AromaticContact CD2-ND1 3.72Å; F94-H98 AromaticContact CE1-ND1 3.9Å; F94-H98 AromaticContact CE2-CE1 3.5Å; F94-H98 AromaticContact CE2-ND1 3.52Å; F94-H98 AromaticContact CZ-CE1 3.93Å; F94-H98 AromaticContact CZ-ND1 3.6Å; F94-H98 PolarHBondContact O-N 2.79Å; F94-H98 PolarHBondContact O-ND1 3.28Å; F94-H98 VanDerWaalsContact O-ND1 3.08Å; H95-H98 CarbonylContact O-C 3.33Å; H98-N100 PolarHBondContact O-N 3.31Å; H98-E101 HydrophobicContact CB-CB 3.8Å; H98-E101 WeakPolarHBondContact CB-OE2 3.35Å; H98-E101 IonicContact CD2-OE2 2.79Å; H98-E101 IonicContact CG-OE2 2.76Å; H98-E101 PolarHBondContact O-N 2.88Å
99P81.5Confident82.4Confident98 Ų98105.4 Ų105.464%0.63652%0.521SS*.THydrogen-bonded Turntrans-70.2-20-174.328.9-35.9000113.9K97K97-P99 VanDerWaalsContact O-CD 3.23Å; K97-P99 WeakPolarHBondContact O-CD 3.18Å
100N84Confident82.1Confident154 Ų154100 Ų10082%0.82450%0.498SS*.THydrogen-bonded Turntrans-107.14.3-178.4-60.9-22.7000112.8H98 I102H98-N100 PolarHBondContact O-N 3.31Å; N100-I102 PolarHBondContact O-N 2.87Å
101E76.4Confident81.9Confident116 Ų11699.2 Ų99.254%0.54250%0.497SS..  trans-77.5112177.3-173.3174-158.500108.8F94 H98F94-E101 WeakPolarHBondContact CE1-OE2 3.42Å; F94-E101 WeakPolarHBondContact CZ-OE2 3.34Å; H98-E101 HydrophobicContact CB-CB 3.8Å; H98-E101 WeakPolarHBondContact CB-OE2 3.35Å; H98-E101 IonicContact CD2-OE2 2.79Å; H98-E101 IonicContact CG-OE2 2.76Å; H98-E101 PolarHBondContact O-N 2.88Å
102I72.1Confident81.8Confident145 Ų145100.5 Ų100.574%0.74450%0.501SS*.  trans-82.3118177-60.2168.6000107N100 V104N100-I102 PolarHBondContact O-N 2.87Å; I102-V104 PolarHBondContact O-N 3.28Å; I102-V104 VanDerWaalsContact O-N 3.16Å
103C69.6Low81.3Confident112 Ų11297.4 Ų97.476%0.75749%0.491SS*.  trans-70.3109.3170.1-174.50000108.2P105C103-P105 VanDerWaalsContact O-CD 3.31Å; C103-P105 WeakPolarHBondContact O-CD 3.31Å
104V74.8Confident80.9Confident92 Ų9295.2 Ų95.256%0.55848%0.483SS*.  trans-83.5113.5173.1176.90000107.3I102 M108I102-V104 PolarHBondContact O-N 3.28Å; I102-V104 VanDerWaalsContact O-N 3.16Å; V104-M108 HydrophobicContact CG1-CB 3.83Å; V104-M108 HydrophobicContact CG1-CG 4.22Å; V104-M108 HydrophobicContact CG1-SD 3.78Å
105P79.9Confident80.8Confident60 Ų6096.1 Ų96.139%0.3949%0.487SS..  trans-61.9143.1175.1-21.734.5000110.2C103 S107 M108C103-P105 VanDerWaalsContact O-CD 3.31Å; C103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-S107 PolarHBondContact O-N 3.09Å; P105-M108 WeakPolarHBondContact O-CB 3.36Å; P105-M108 PolarHBondContact O-N 3.21Å
106M81Confident80.6Confident33 Ų3392.5 Ų92.516%0.16348%0.478CS..Hα-helixtrans-54.4-28.8176.4178173.1-81.100112.7R10 E13 E14 M108 E109 F110R10-M106 HydrophobicContact CG-CE 3.74Å; E13-M106 HydrophobicContact CG-SD 4.45Å; E14-M106 VanDerWaalsContact CA-SD 3.5Å; E14-M106 HydrophobicContact CB-CE 3.86Å; E14-M106 HydrophobicContact CB-SD 3.52Å; E14-M106 VanDerWaalsContact CB-SD 3.52Å; E14-M106 HydrophobicContact CG-CE 4.07Å; E14-M106 HydrophobicContact CG-SD 3.93Å; M106-M108 PolarHBondContact O-N 2.95Å; M106-E109 PolarHBondContact O-N 2.98Å; M106-F110 HydrophobicContact CG-CD2 4.41Å; M106-F110 HydrophobicContact CG-CE2 3.84Å; M106-F110 VanDerWaalsContact O-CD2 3.31Å; M106-F110 WeakPolarHBondContact O-CD2 3.3Å
107S80.1Confident80.2Confident33 Ų3384.4 Ų84.423%0.23145%0.447CS..Hα-helixtrans-58.6-29.4174.859.90000113.7P105 E109 F110 D111P105-S107 PolarHBondContact O-N 3.09Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 PolarHBondContact O-N 3.2Å; S107-F110 PolarHBondContact O-N 3.34Å; S107-D111 VanDerWaalsContact O-CG 3.31Å; S107-D111 PolarHBondContact O-N 3.44Å
108M82.3Confident79.7Confident97 Ų9782.3 Ų82.348%0.47844%0.44SS..Hα-helixtrans-63.6-36.5179.1-70.4-167.816500111.9V104 P105 M106 F110 D111 E112V104-M108 HydrophobicContact CG1-CB 3.83Å; V104-M108 HydrophobicContact CG1-CG 4.22Å; V104-M108 HydrophobicContact CG1-SD 3.78Å; P105-M108 WeakPolarHBondContact O-CB 3.36Å; P105-M108 PolarHBondContact O-N 3.21Å; M106-M108 PolarHBondContact O-N 2.95Å; M108-F110 VanDerWaalsContact C-N 3.29Å; M108-F110 PolarHBondContact O-N 3.21Å; M108-D111 PolarHBondContact O-N 2.75Å; M108-E112 WeakPolarHBondContact O-CG 3.4Å; M108-E112 PolarHBondContact O-N 2.79Å
109E82.6Confident79.5Confident95 Ų9584.5 Ų84.544%0.44445%0.454SS..Hα-helixtrans-60.1-41.8175.9-65.4-175.9-175.200111.5R49 M106 S107 E112 L113R49-E109 IonicContact CZ-OE2 3.18Å; R49-E109 IonicContact NH1-OE2 3.33Å; R49-E109 PolarHBondContact NH1-OE2 3.45Å; R49-E109 IonicContact NH2-OE2 3.1Å; R49-E109 PolarHBondContact NH2-OE2 3.45Å; M106-E109 PolarHBondContact O-N 2.98Å; S107-E109 VanDerWaalsContact C-N 3.31Å; S107-E109 PolarHBondContact O-N 3.2Å; E109-E112 PolarHBondContact O-N 3.21Å; E109-L113 WeakPolarHBondContact O-CG 3.36Å; E109-L113 PolarHBondContact O-N 3.45Å; E109-L113 VanDerWaalsContact O-N 3.11Å
110F82.9Confident79.1Confident14 Ų1482.7 Ų82.76%0.06144%0.442CS..Hα-helixtrans-73.4-32.3178.9-64.8-82000112.6R17 L18 A21 M106 S107 M108 L113 V114R17-F110 HydrophobicContact CB-CD1 4.29Å; R17-F110 HydrophobicContact CB-CD2 3.64Å; R17-F110 HydrophobicContact CB-CE1 3.96Å; R17-F110 HydrophobicContact CB-CE2 3.28Å; R17-F110 HydrophobicContact CB-CG 4.14Å; R17-F110 HydrophobicContact CB-CZ 3.45Å; R17-F110 VanDerWaalsContact CB-CZ 3.45Å; R17-F110 HydrophobicContact CG-CD2 4.15Å; R17-F110 HydrophobicContact CG-CE2 3.94Å; L18-F110 HydrophobicContact CD2-CE1 3.72Å; L18-F110 HydrophobicContact CD2-CZ 4.1Å; L18-F110 HydrophobicContact CG-CE1 3.9Å; L18-F110 HydrophobicContact CG-CZ 3.92Å; A21-F110 HydrophobicContact CB-CD1 3.71Å; A21-F110 HydrophobicContact CB-CE1 4.26Å; M106-F110 HydrophobicContact CG-CD2 4.41Å; M106-F110 HydrophobicContact CG-CE2 3.84Å; M106-F110 VanDerWaalsContact O-CD2 3.31Å; M106-F110 WeakPolarHBondContact O-CD2 3.3Å; S107-F110 PolarHBondContact O-N 3.34Å; M108-F110 VanDerWaalsContact C-N 3.29Å; M108-F110 PolarHBondContact O-N 3.21Å; F110-L113 HydrophobicContact CD1-CD1 4.17Å; F110-L113 PolarHBondContact O-N 3.05Å; F110-V114 WeakPolarHBondContact O-CG2 3.28Å; F110-V114 PolarHBondContact O-N 3.46Å
111D81.9Confident78.6Confident83 Ų8379.2 Ų79.244%0.44443%0.427SS..Hα-helixtrans-67.7-38173.1-66.9-26.2000111.1S107 M108 V114 K115S107-D111 VanDerWaalsContact O-CG 3.31Å; S107-D111 PolarHBondContact O-N 3.44Å; M108-D111 PolarHBondContact O-N 2.75Å; D111-V114 PolarHBondContact O-N 3.39Å; D111-K115 WeakPolarHBondContact O-CG 3.45Å; D111-K115 PolarHBondContact O-N 3.4Å
112E82.5Confident78Confident103 Ų10382.3 Ų82.348%0.48144%0.441SS..Hα-helixtrans-65.3-37.1173.4-68.7-54.713600112M108 E109 V114 K115 A116M108-E112 WeakPolarHBondContact O-CG 3.4Å; M108-E112 PolarHBondContact O-N 2.79Å; E109-E112 PolarHBondContact O-N 3.21Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 PolarHBondContact O-N 2.99Å; E112-K115 PolarHBondContact O-N 3.15Å; E112-K115 IonicContact OE1-NZ 2.73Å; E112-K115 PolarHBondContact OE1-NZ 2.99Å; E112-A116 WeakPolarHBondContact O-CB 3.33Å; E112-A116 PolarHBondContact O-N 3.19Å
113L79.4Confident77.4Confident71 Ų7184.1 Ų84.137%0.37245%0.447SS..Hα-helixtrans-60.2-39.3172.9-72171.9000112.3M46 E109 F110 R117M46-L113 HydrophobicContact CE-CD1 4.34Å; E109-L113 WeakPolarHBondContact O-CG 3.36Å; E109-L113 PolarHBondContact O-N 3.45Å; E109-L113 VanDerWaalsContact O-N 3.11Å; F110-L113 HydrophobicContact CD1-CD1 4.17Å; F110-L113 PolarHBondContact O-N 3.05Å; L113-R117 PolarHBondContact O-N 2.87Å
114V80.5Confident77.2Confident41 Ų4181.3 Ų81.325%0.24843%0.426CS..Hα-helixtrans-66.7-43.4175.9172.60000110.8F110 D111 E112 R117 E118F110-V114 WeakPolarHBondContact O-CG2 3.28Å; F110-V114 PolarHBondContact O-N 3.46Å; D111-V114 PolarHBondContact O-N 3.39Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 PolarHBondContact O-N 2.99Å; V114-R117 WeakPolarHBondContact O-CB 3.47Å; V114-R117 PolarHBondContact O-N 3.46Å; V114-E118 WeakPolarHBondContact O-CG 3.46Å; V114-E118 PolarHBondContact O-N 2.89Å
115K82.4Confident77Confident102 Ų10279.1 Ų79.144%0.44341%0.41SS..Hα-helixtrans-64.7-39.9177-69.7175-168.1167.50112.6D111 E112 R117 E118 N119D111-K115 WeakPolarHBondContact O-CG 3.45Å; D111-K115 PolarHBondContact O-N 3.4Å; E112-K115 PolarHBondContact O-N 3.15Å; E112-K115 IonicContact OE1-NZ 2.73Å; E112-K115 PolarHBondContact OE1-NZ 2.99Å; K115-R117 PolarHBondContact O-N 3.44Å; K115-E118 PolarHBondContact O-N 3.27Å; K115-E118 VanDerWaalsContact O-N 3.16Å; K115-N119 PolarHBondContact O-N 2.92Å
116A78.5Confident77.1Confident42 Ų4279.7 Ų79.735%0.34741%0.41SS..Hα-helixtrans-64.6-29.9177.700000111.9E112 N119 P120E112-A116 WeakPolarHBondContact O-CB 3.33Å; E112-A116 PolarHBondContact O-N 3.19Å; A116-N119 CarbonylContact O-C 3.45Å; A116-P120 VanDerWaalsContact O-CA 3.22Å; A116-P120 WeakPolarHBondContact O-CA 3.3Å
117R79.4Confident77.2Confident37 Ų3782 Ų8214%0.1442%0.421CS..Hα-helixtrans-71-44.7169.8-179.2-167.769.2-150.8-2.3112.1E25 L113 V114 K115E25-R117 VanDerWaalsContact OE2-CD 3.29Å; E25-R117 WeakPolarHBondContact OE2-CD 3.4Å; E25-R117 IonicContact OE2-CZ 3.38Å; E25-R117 IonicContact OE2-NE 2.7Å; E25-R117 IonicContact OE2-NH1 3.12Å; E25-R117 PolarHBondContact OE2-NH1 3.47Å; L113-R117 PolarHBondContact O-N 2.87Å; V114-R117 WeakPolarHBondContact O-CB 3.47Å; V114-R117 PolarHBondContact O-N 3.46Å; K115-R117 PolarHBondContact O-N 3.44Å
118E78.5Confident77.6Confident120 Ų12081.5 Ų81.556%0.56142%0.416SS*.Hα-helixtrans-72.7-31-176.8-71.5176.3-176.900113V114 K115V114-E118 WeakPolarHBondContact O-CG 3.46Å; V114-E118 PolarHBondContact O-N 2.89Å; K115-E118 PolarHBondContact O-N 3.27Å; K115-E118 VanDerWaalsContact O-N 3.16Å
119N78.8Confident77.9Confident127 Ų12785.1 Ų85.168%0.67943%0.432SS*.SBendtrans-132.674.7177.3-61.5-49.3000109.2K115 A116 T121K115-N119 PolarHBondContact O-N 2.92Å; A116-N119 CarbonylContact O-C 3.45Å; N119-T121 PolarHBondContact O-N 3.38Å
120P72.6Confident78.3Confident59 Ų5982.1 Ų82.138%0.38342%0.418SS..  trans-65.7129.1178.126-30.2000109.8A116 Q125A116-P120 VanDerWaalsContact O-CA 3.22Å; A116-P120 WeakPolarHBondContact O-CA 3.3Å; P120-Q125 HydrophobicContact CB-CB 4.45Å
121T74.3Confident78.7Confident81 Ų8184 Ų8450%0.49743%0.433SS..  trans-74.8160.7163.759.30000110.4N119 E123 T124 Q125N119-T121 PolarHBondContact O-N 3.38Å; T121-E123 PolarHBondContact O-N 3.36Å; T121-E123 VanDerWaalsContact O-N 3.14Å; T121-T124 PolarHBondContact N-OG1 3.35Å; T121-T124 CarbonylContact O-C 3.56Å; T121-T124 PolarHBondContact O-N 2.97Å; T121-T124 PolarHBondContact O-OG1 2.86Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.25Å; T121-T124 PolarHBondContact OG1-OG1 3.04Å; T121-Q125 PolarHBondContact O-N 3.18Å
122E63.4Low78.9Confident181 Ų18186.3 Ų86.385%0.84645%0.445SS*.Hα-helixtrans-49.7-39.8175.7-75.5177.3168.300112.2T124E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.97Å
123E60.4Low79.2Confident183 Ų18385.8 Ų85.886%0.85544%0.443SS*.Hα-helixtrans-71.2-21.2178.5-65-178.2174.100114.1T121T121-E123 PolarHBondContact O-N 3.36Å; T121-E123 VanDerWaalsContact O-N 3.14Å
124T65.2Low79.8Confident54 Ų5482.8 Ų82.833%0.33143%0.426SS..Hα-helixtrans-110.1-2.5-177.457.30000113T121 E122 N126T121-T124 PolarHBondContact N-OG1 3.35Å; T121-T124 CarbonylContact O-C 3.56Å; T121-T124 PolarHBondContact O-N 2.97Å; T121-T124 PolarHBondContact O-OG1 2.86Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.25Å; T121-T124 PolarHBondContact OG1-OG1 3.04Å; E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.97Å; T124-N126 VanDerWaalsContact C-N 3.33Å
125Q71.3Confident80.3Confident45 Ų4582.5 Ų82.521%0.2143%0.429CS..Hα-helixtrans-71.1-32.7-177.4-161.5-176.71.900111.2R34 N38 P120 T121 D371R34-Q125 VanDerWaalsContact NH2-CD 3.27Å; N38-Q125 PolarHBondContact ND2-O 3.16Å; P120-Q125 HydrophobicContact CB-CB 4.45Å; T121-Q125 PolarHBondContact O-N 3.18Å; Q125-D371 PolarHBondContact NE2-OD2 2.86Å
126N80.2Confident80.7Confident73 Ų7379.1 Ų79.139%0.3941%0.413SS..  trans-114.8116.8174.6-69.6-19.4000110.2R34 T124 V128 Y136R34-N126 PolarHBondContact NE-OD1 3.27Å; R34-N126 PolarHBondContact NH2-ND2 3.14Å; R34-N126 PolarHBondContact NH2-OD1 3.43Å; T124-N126 VanDerWaalsContact C-N 3.33Å; N126-V128 VanDerWaalsContact C-N 3.28Å; N126-Y136 WeakPolarHBondContact CA-OH 3.36Å; N126-Y136 HydrophobicContact CB-CE2 4.04Å; N126-Y136 WeakPolarHBondContact OD1-CE2 3.48Å
127M83.3Confident81.3Confident82 Ų8277.1 Ų77.140%0.40440%0.397SS..SBendtrans-80.9-15.2174.1-65.5-65.5-58.800112.3N38 H41 R42 Y136N38-M127 HydrophobicContact CB-CG 4.02Å; N38-M127 WeakPolarHBondContact OD1-CB 3.4Å; N38-M127 PolarHBondContact OD1-N 3.42Å; H41-M127 HydrophobicContact CB-CB 3.73Å; H41-M127 HydrophobicContact CB-CG 4.36Å; R42-M127 HydrophobicContact CG-CE 3.87Å; R42-M127 HydrophobicContact CG-CG 4.26Å; R42-M127 HydrophobicContact CG-SD 3.99Å; M127-Y136 PolarHBondContact N-OH 2.99Å
128V88.8Confident82Confident21 Ų2180.9 Ų80.913%0.12741%0.411CS..SBendtrans-148.8146.8-174.559.90000109.6I37 H41 N126 F130 Y136 R199I37-V128 HydrophobicContact CG2-CG1 3.79Å; H41-V128 WeakPolarHBondContact NE2-CG1 3.4Å; N126-V128 VanDerWaalsContact C-N 3.28Å; V128-F130 HydrophobicContact CB-CE2 4.49Å; V128-F130 HydrophobicContact CG1-CD2 4.01Å; V128-F130 HydrophobicContact CG1-CE2 3.41Å; V128-F130 VanDerWaalsContact CG1-CE2 3.41Å; V128-F130 HydrophobicContact CG1-CZ 4.27Å; V128-F130 HydrophobicContact CG2-CE2 4.34Å; V128-Y136 HydrophobicContact CG1-CE1 4.29Å; V128-Y136 WeakPolarHBondContact O-CE2 3.43Å; V128-Y136 PolarHBondContact O-OH 3.42Å; V128-R199 HydrophobicContact CG2-CB 3.82Å; V128-R199 HydrophobicContact CG2-CG 3.53Å
129E88.6Confident82.8Confident174 Ų17475.9 Ų75.981%0.81339%0.387SS*.  trans-90.6135.9178.7-65.1-178.8-177.200110.6R199E129-R199 WeakPolarHBondContact O-CD 3.47Å
130F91.6Very high83.5Confident32 Ų3270.1 Ų70.114%0.1436%0.356CS..  trans-128.9152170.7-74.4-85.4000108.6I37 V128 E134 Y136 Y196 R199 V200I37-F130 HydrophobicContact CD1-CE2 4.5Å; I37-F130 HydrophobicContact CD1-CZ 4.36Å; I37-F130 HydrophobicContact CG2-CE2 4.17Å; I37-F130 HydrophobicContact CG2-CZ 4.49Å; V128-F130 HydrophobicContact CB-CE2 4.49Å; V128-F130 HydrophobicContact CG1-CD2 4.01Å; V128-F130 HydrophobicContact CG1-CE2 3.41Å; V128-F130 VanDerWaalsContact CG1-CE2 3.41Å; V128-F130 HydrophobicContact CG1-CZ 4.27Å; V128-F130 HydrophobicContact CG2-CE2 4.34Å; F130-E134 WeakPolarHBondContact CA-OE2 3.27Å; F130-E134 HydrophobicContact CB-CB 4.21Å; F130-E134 HydrophobicContact CD1-CB 4.04Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.49Å; F130-Y136 HydrophobicContact CD2-CD1 4.11Å; F130-Y136 AromaticContact CD2-CD2 3.62Å; F130-Y136 HydrophobicContact CD2-CD2 3.62Å; F130-Y136 HydrophobicContact CD2-CE1 4.35Å; F130-Y136 AromaticContact CD2-CE2 3.84Å; F130-Y136 HydrophobicContact CD2-CE2 3.84Å; F130-Y136 AromaticContact CD2-CG 3.76Å; F130-Y136 HydrophobicContact CD2-CG 3.76Å; F130-Y136 AromaticContact CE2-CD1 3.97Å; F130-Y136 HydrophobicContact CE2-CD1 3.97Å; F130-Y136 HydrophobicContact CE2-CD2 4.28Å; F130-Y136 HydrophobicContact CE2-CE1 4.09Å; F130-Y136 HydrophobicContact CE2-CE2 4.34Å; F130-Y136 HydrophobicContact CE2-CG 4.1Å; F130-Y136 HydrophobicContact CG-CD2 4.48Å; F130-Y196 HydrophobicContact CD1-CE2 4.49Å; F130-Y196 HydrophobicContact CE1-CE2 4.28Å; F130-R199 HydrophobicContact CE1-CB 3.66Å; F130-R199 HydrophobicContact CE2-CB 4.38Å; F130-R199 HydrophobicContact CZ-CB 3.54Å; F130-V200 HydrophobicContact CE1-CG1 3.72Å; F130-V200 HydrophobicContact CZ-CG1 3.79Å
131S90.7Very high84.6Confident53 Ų5369.5 Ų69.537%0.37135%0.35SS..  trans-65.5152.4165.7179.90000110.1E133 E134 A135S131-E133 PolarHBondContact O-N 3.35Å; S131-E134 PolarHBondContact N-OE2 3.24Å; S131-E134 WeakPolarHBondContact O-CB 3.38Å; S131-E134 PolarHBondContact O-N 3.42Å; S131-A135 PolarHBondContact O-N 3.11Å
132D87Confident85.5Confident132 Ų13265.7 Ų65.771%0.70633%0.326SS*.G310 helixtrans-57-38.9176.5-58-29.1000111E134 A135D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 2.91Å; D132-A135 PolarHBondContact O-N 2.77Å; D132-A135 VanDerWaalsContact O-N 3.13Å
133E88.6Confident86.9Confident92 Ų9261.3 Ų61.343%0.4331%0.306SS..G310 helixtrans-69.2-22.3177.3-67.1-65157.400113.3S131 A135 Y139 D141 K348S131-E133 PolarHBondContact O-N 3.35Å; E133-A135 VanDerWaalsContact C-N 3.28Å; E133-Y139 WeakPolarHBondContact O-CB 3.36Å; E133-D141 HydrophobicContact CB-CB 4.26Å; E133-K348 IonicContact OE1-NZ 3.28Å; E133-K348 IonicContact OE2-NZ 3.72Å
134E92.3Very high88.4Confident7 Ų757.3 Ų57.33%0.03329%0.29CS..G310 helixtrans-78.8-16.2175.4-67173.4140.500111.9F130 S131 D132 Y136 G137 R138 Y139 D141 Y192 Y196 R199F130-E134 WeakPolarHBondContact CA-OE2 3.27Å; F130-E134 HydrophobicContact CB-CB 4.21Å; F130-E134 HydrophobicContact CD1-CB 4.04Å; F130-E134 WeakPolarHBondContact CD1-OE2 3.49Å; S131-E134 PolarHBondContact N-OE2 3.24Å; S131-E134 WeakPolarHBondContact O-CB 3.38Å; S131-E134 PolarHBondContact O-N 3.42Å; D132-E134 VanDerWaalsContact C-N 3.27Å; D132-E134 PolarHBondContact O-N 2.91Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.84Å; E134-G137 PolarHBondContact O-N 3.46Å; E134-G137 VanDerWaalsContact O-N 3.08Å; E134-R138 PolarHBondContact O-N 3.43Å; E134-Y139 VanDerWaalsContact CA-O 3.23Å; E134-Y139 WeakPolarHBondContact CA-O 3.45Å; E134-Y139 PolarHBondContact O-N 2.93Å; E134-D141 HydrophobicContact CG-CB 4.07Å; E134-Y192 PolarHBondContact OE1-OH 3.47Å; E134-Y196 HydrophobicContact CB-CE2 4.18Å; E134-Y196 HydrophobicContact CG-CD2 4.39Å; E134-Y196 HydrophobicContact CG-CE2 3.92Å; E134-Y196 VanDerWaalsContact OE1-CD2 3.23Å; E134-Y196 WeakPolarHBondContact OE1-CD2 3.43Å; E134-R199 IonicContact OE1-CZ 3.42Å; E134-R199 IonicContact OE1-NH2 3.38Å; E134-R199 PolarHBondContact OE1-NH2 3.24Å; E134-R199 IonicContact OE2-NH2 3.51Å
135A90Very high89.7Confident36 Ų3655 Ų5530%0.29828%0.276SS..THydrogen-bonded Turntrans45.455.3179.400000112.3S131 D132 E133 G137 R138 Y139S131-A135 PolarHBondContact O-N 3.11Å; D132-A135 PolarHBondContact O-N 2.77Å; D132-A135 VanDerWaalsContact O-N 3.13Å; E133-A135 VanDerWaalsContact C-N 3.28Å; A135-G137 VanDerWaalsContact C-N 3.32Å; A135-G137 PolarHBondContact O-N 3.45Å; A135-R138 HydrophobicContact CB-CB 4.05Å; A135-R138 VanDerWaalsContact O-CB 3.28Å; A135-R138 WeakPolarHBondContact O-CB 3.45Å; A135-R138 PolarHBondContact O-N 3.43Å; A135-Y139 HydrophobicContact CB-CD2 3.72Å; A135-Y139 HydrophobicContact CB-CE2 4.04Å
136Y90.3Very high90.7Very high30 Ų3054.8 Ų54.812%0.11827%0.274CS..THydrogen-bonded Turntrans52.542.8-178.4-145.1-93.1000114.4R34 I37 N38 N126 M127 V128 F130 E134R34-Y136 HydrophobicContact CB-CD1 3.81Å; R34-Y136 HydrophobicContact CB-CE1 4.17Å; R34-Y136 HydrophobicContact CB-CG 4.36Å; R34-Y136 HydrophobicContact CG-CD1 3.65Å; R34-Y136 HydrophobicContact CG-CD2 4.47Å; R34-Y136 HydrophobicContact CG-CE1 3.62Å; R34-Y136 HydrophobicContact CG-CE2 4.48Å; R34-Y136 HydrophobicContact CG-CG 4.07Å; I37-Y136 HydrophobicContact CB-CD1 4.35Å; I37-Y136 HydrophobicContact CB-CE1 3.99Å; I37-Y136 HydrophobicContact CD1-CD1 4.16Å; I37-Y136 WeakPolarHBondContact CD1-O 3.23Å; I37-Y136 HydrophobicContact CG2-CD1 4.35Å; I37-Y136 HydrophobicContact CG2-CE1 3.77Å; N38-Y136 PolarHBondContact OD1-OH 3.32Å; N126-Y136 WeakPolarHBondContact CA-OH 3.36Å; N126-Y136 HydrophobicContact CB-CE2 4.04Å; N126-Y136 WeakPolarHBondContact OD1-CE2 3.48Å; M127-Y136 PolarHBondContact N-OH 2.99Å; V128-Y136 HydrophobicContact CG1-CE1 4.29Å; V128-Y136 WeakPolarHBondContact O-CE2 3.43Å; V128-Y136 PolarHBondContact O-OH 3.42Å; F130-Y136 HydrophobicContact CD2-CD1 4.11Å; F130-Y136 AromaticContact CD2-CD2 3.62Å; F130-Y136 HydrophobicContact CD2-CD2 3.62Å; F130-Y136 HydrophobicContact CD2-CE1 4.35Å; F130-Y136 AromaticContact CD2-CE2 3.84Å; F130-Y136 HydrophobicContact CD2-CE2 3.84Å; F130-Y136 AromaticContact CD2-CG 3.76Å; F130-Y136 HydrophobicContact CD2-CG 3.76Å; F130-Y136 AromaticContact CE2-CD1 3.97Å; F130-Y136 HydrophobicContact CE2-CD1 3.97Å; F130-Y136 HydrophobicContact CE2-CD2 4.28Å; F130-Y136 HydrophobicContact CE2-CE1 4.09Å; F130-Y136 HydrophobicContact CE2-CE2 4.34Å; F130-Y136 HydrophobicContact CE2-CG 4.1Å; F130-Y136 HydrophobicContact CG-CD2 4.48Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.84Å
137G92.6Very high91.2Very high0 Ų058.4 Ų58.40%028%0.282CS..THydrogen-bonded Turntrans92.45.717600000115.2E134 A135 Y196 Q337E134-G137 PolarHBondContact O-N 3.46Å; E134-G137 VanDerWaalsContact O-N 3.08Å; A135-G137 VanDerWaalsContact C-N 3.32Å; A135-G137 PolarHBondContact O-N 3.45Å; G137-Y196 WeakPolarHBondContact CA-OH 3.17Å; G137-Y196 PolarHBondContact O-OH 2.73Å; G137-Q337 WeakPolarHBondContact O-CG 3.3Å
138R92.9Very high91.5Very high116 Ų11660.3 Ų60.344%0.43829%0.288SS..THydrogen-bonded Turntrans-77.6-37.4176.8-169.3179.6-175.9102.1-0.8112.3L33 E134 A135L33-R138 HydrophobicContact CD2-CB 3.99Å; E134-R138 PolarHBondContact O-N 3.43Å; A135-R138 HydrophobicContact CB-CB 4.05Å; A135-R138 VanDerWaalsContact O-CB 3.28Å; A135-R138 WeakPolarHBondContact O-CB 3.45Å; A135-R138 PolarHBondContact O-N 3.43Å
139Y95.1Very high91.5Very high16 Ų1660.3 Ų60.36%0.06329%0.286CS..SBendtrans-128156.9-175.8-54.4-53.5000111.8E133 E134 A135 Y196 L340 T341 N344E133-Y139 WeakPolarHBondContact O-CB 3.36Å; E134-Y139 VanDerWaalsContact CA-O 3.23Å; E134-Y139 WeakPolarHBondContact CA-O 3.45Å; E134-Y139 PolarHBondContact O-N 2.93Å; A135-Y139 HydrophobicContact CB-CD2 3.72Å; A135-Y139 HydrophobicContact CB-CE2 4.04Å; Y139-Y196 WeakPolarHBondContact O-CE2 3.43Å; Y139-Y196 PolarHBondContact O-OH 3Å; Y139-L340 HydrophobicContact CD1-CB 4.03Å; Y139-L340 HydrophobicContact CE1-CB 3.96Å; Y139-L340 WeakPolarHBondContact CE1-O 3.44Å; Y139-T341 WeakPolarHBondContact CA-OG1 3.46Å; Y139-N344 HydrophobicContact CD1-CB 4.04Å; Y139-N344 HydrophobicContact CE1-CB 3.68Å; Y139-N344 HydrophobicContact CE2-CB 4.48Å
140L95Very high91.5Very high5 Ų554.5 Ų54.53%0.02626%0.262CS..  trans-98.3125.5174-62.9159.4000109.2L142 Y192 L193 Y196 L334 Q337 R338 T341L140-L142 HydrophobicContact CB-CD1 4.29Å; L140-L142 HydrophobicContact CB-CD2 4.48Å; L140-L142 HydrophobicContact CB-CG 3.97Å; L140-L142 PolarHBondContact O-N 2.96Å; L140-Y192 WeakPolarHBondContact CA-OH 3.44Å; L140-Y192 HydrophobicContact CB-CE1 4.49Å; L140-Y192 HydrophobicContact CD2-CE1 4.04Å; L140-L193 HydrophobicContact CD2-CD2 4.47Å; L140-Y196 HydrophobicContact CD2-CD1 3.49Å; L140-Y196 VanDerWaalsContact CD2-CD1 3.49Å; L140-Y196 HydrophobicContact CD2-CD2 3.98Å; L140-Y196 HydrophobicContact CD2-CE1 3.43Å; L140-Y196 VanDerWaalsContact CD2-CE1 3.43Å; L140-Y196 HydrophobicContact CD2-CE2 3.92Å; L140-Y196 HydrophobicContact CD2-CG 3.78Å; L140-Y196 HydrophobicContact CG-CE1 4.39Å; L140-L334 HydrophobicContact CD2-CD1 4.19Å; L140-Q337 HydrophobicContact CD1-CB 4.26Å; L140-Q337 HydrophobicContact CG-CB 4.15Å; L140-R338 HydrophobicContact CD1-CB 4.23Å; L140-T341 HydrophobicContact CB-CG2 4.41Å; L140-T341 PolarHBondContact N-OG1 3.01Å; L140-T341 VanDerWaalsContact O-CG2 3.28Å; L140-T341 WeakPolarHBondContact O-CG2 3.45Å
141D94.2Very high91.3Very high46 Ų4659 Ų5925%0.24629%0.288CS..  trans-82.893.2166.8-174.21.8000110.5E133 E134 H143 Y192E133-D141 HydrophobicContact CB-CB 4.26Å; E134-D141 HydrophobicContact CG-CB 4.07Å; D141-H143 WeakPolarHBondContact OD1-CB 3.29Å; D141-H143 PolarHBondContact OD1-N 3.49Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; D141-Y192 PolarHBondContact N-OH 3.44Å
142L94.3Very high91.1Very high1 Ų157.5 Ų57.51%0.00528%0.275CS..  trans-102.113.1176.7-60.5178.3000112.6L140 D144 C145 Y146 Y160 Y163 L164 F167 L189 Y192L140-L142 HydrophobicContact CB-CD1 4.29Å; L140-L142 HydrophobicContact CB-CD2 4.48Å; L140-L142 HydrophobicContact CB-CG 3.97Å; L140-L142 PolarHBondContact O-N 2.96Å; L142-D144 PolarHBondContact O-N 3.27Å; L142-C145 HydrophobicContact CB-CB 4.48Å; L142-C145 WeakPolarHBondContact O-CB 3.41Å; L142-C145 PolarHBondContact O-N 3.22Å; L142-Y146 WeakPolarHBondContact O-CB 3.5Å; L142-Y146 PolarHBondContact O-N 3.19Å; L142-Y160 PolarHBondContact N-OH 3.42Å; L142-Y163 HydrophobicContact CB-CE1 4.21Å; L142-L164 HydrophobicContact CB-CD2 4.06Å; L142-L164 HydrophobicContact CD1-CD2 3.68Å; L142-L164 HydrophobicContact CG-CD2 4.39Å; L142-F167 HydrophobicContact CD1-CD1 4.36Å; L142-F167 HydrophobicContact CD1-CD2 4.38Å; L142-F167 HydrophobicContact CD1-CE1 4.01Å; L142-F167 HydrophobicContact CD1-CE2 4.03Å; L142-F167 HydrophobicContact CD1-CZ 3.83Å; L142-L189 HydrophobicContact CD2-CD1 4.09Å; L142-Y192 HydrophobicContact CD2-CD1 3.73Å; L142-Y192 HydrophobicContact CD2-CE1 3.5Å; L142-Y192 VanDerWaalsContact CD2-CE1 3.5Å
143H91.9Very high90.6Very high90 Ų9059.3 Ų59.342%0.41728%0.277SS..Hα-helixtrans-66.4-42.4-174.9-16578000111.7D141 Y146 R147 Y160D141-H143 WeakPolarHBondContact OD1-CB 3.29Å; D141-H143 PolarHBondContact OD1-N 3.49Å; D141-H143 VanDerWaalsContact OD1-N 3.09Å; H143-Y146 WeakPolarHBondContact O-CB 3.39Å; H143-Y146 PolarHBondContact O-N 3.26Å; H143-R147 WeakPolarHBondContact O-CG 3.17Å; H143-R147 PolarHBondContact O-N 2.93Å; H143-Y160 HydrophobicContact CB-CE2 4.49Å; H143-Y160 PolarHBondContact N-OH 3.07Å
144D92Very high89.7Confident98 Ų9857.2 Ų57.252%0.52428%0.28SS..Hα-helixtrans-67.1-37.5176.1-86.3-13.3000112.5L142 R147 K148L142-D144 PolarHBondContact O-N 3.27Å; D144-R147 PolarHBondContact O-N 3.01Å; D144-R147 IonicContact OD1-NH1 3.48Å; D144-K148 WeakPolarHBondContact O-CG 3.5Å; D144-K148 PolarHBondContact O-N 3.37Å; D144-K148 VanDerWaalsContact O-N 3.15Å
145C93Very high88.7Confident5 Ų558.2 Ų58.23%0.03429%0.29CS..Hα-helixtrans-59-47.5171.4-68.20000111.4L142 R147 K148 F149 Y163 Y185 M188 L189L142-C145 HydrophobicContact CB-CB 4.48Å; L142-C145 WeakPolarHBondContact O-CB 3.41Å; L142-C145 PolarHBondContact O-N 3.22Å; C145-R147 PolarHBondContact O-N 3.25Å; C145-K148 PolarHBondContact O-N 3.48Å; C145-F149 PolarHBondContact O-N 2.7Å; C145-Y163 WeakPolarHBondContact CB-OH 3.47Å; C145-Y185 HydrophobicContact CB-CE2 4.49Å; C145-Y185 WeakPolarHBondContact O-CE2 3.46Å; C145-M188 HydrophobicContact CB-CE 4.18Å; C145-L189 HydrophobicContact CB-CD1 4.36Å
146Y92.8Very high88Confident42 Ų4262.4 Ų62.417%0.16530%0.303CS..Hα-helixtrans-59.1-45176.5168.4-111.9000112.6L142 H143 K148 F149 V150 L158 Y160 Y163L142-Y146 WeakPolarHBondContact O-CB 3.5Å; L142-Y146 PolarHBondContact O-N 3.19Å; H143-Y146 WeakPolarHBondContact O-CB 3.39Å; H143-Y146 PolarHBondContact O-N 3.26Å; Y146-K148 VanDerWaalsContact C-N 3.26Å; Y146-K148 PolarHBondContact O-N 2.96Å; Y146-F149 WeakPolarHBondContact O-CB 3.39Å; Y146-F149 PolarHBondContact O-N 3.45Å; Y146-F149 VanDerWaalsContact O-N 3.07Å; Y146-V150 HydrophobicContact CD2-CG2 3.9Å; Y146-V150 HydrophobicContact CE1-CG2 4.12Å; Y146-V150 HydrophobicContact CE2-CG2 3.41Å; Y146-V150 VanDerWaalsContact CE2-CG2 3.41Å; Y146-V150 HydrophobicContact CG-CG2 4.45Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 3.34Å; Y146-L158 VanDerWaalsContact CE2-O 3.23Å; Y146-L158 WeakPolarHBondContact CE2-O 3.29Å; Y146-L158 PolarHBondContact OH-O 3.25Å; Y146-Y160 AromaticContact CD1-CD2 3.66Å; Y146-Y160 HydrophobicContact CD1-CD2 3.66Å; Y146-Y160 HydrophobicContact CD1-CE2 4.47Å; Y146-Y160 HydrophobicContact CD1-CG 4.4Å; Y146-Y160 HydrophobicContact CD2-CD2 4.02Å; Y146-Y160 HydrophobicContact CE1-CD2 4.33Å; Y146-Y160 AromaticContact CG-CD2 3.48Å; Y146-Y160 HydrophobicContact CG-CD2 3.48Å; Y146-Y160 VanDerWaalsContact CG-CD2 3.48Å; Y146-Y160 HydrophobicContact CG-CE2 4.15Å; Y146-Y160 HydrophobicContact CG-CG 4.49Å; Y146-Y163 AromaticContact CD2-CD1 3.98Å; Y146-Y163 HydrophobicContact CD2-CD1 3.98Å; Y146-Y163 HydrophobicContact CD2-CD2 4.1Å; Y146-Y163 AromaticContact CD2-CG 3.63Å; Y146-Y163 HydrophobicContact CD2-CG 3.63Å; Y146-Y163 HydrophobicContact CE2-CG 4.47Å; Y146-Y163 HydrophobicContact CG-CD1 4.37Å; Y146-Y163 HydrophobicContact CG-CG 4.44Å
147R91.3Very high87.4Confident148 Ų14870.2 Ų70.256%0.55834%0.338SS*.Hα-helixtrans-60.3-36.8178.1-69.8177.177.9-171.59.9112H143 D144 C145 N151H143-R147 WeakPolarHBondContact O-CG 3.17Å; H143-R147 PolarHBondContact O-N 2.93Å; D144-R147 PolarHBondContact O-N 3.01Å; D144-R147 IonicContact OD1-NH1 3.48Å; C145-R147 PolarHBondContact O-N 3.25Å; R147-N151 PolarHBondContact O-ND2 2.91Å
148K89.6Confident87.1Confident122 Ų12272.3 Ų72.353%0.5335%0.349SS..Hα-helixtrans-71.3-39.7173.7-64.5-64.4-176176.20111.8D144 C145 Y146 N151 L152 Y185 M188D144-K148 WeakPolarHBondContact O-CG 3.5Å; D144-K148 PolarHBondContact O-N 3.37Å; D144-K148 VanDerWaalsContact O-N 3.15Å; C145-K148 PolarHBondContact O-N 3.48Å; Y146-K148 VanDerWaalsContact C-N 3.26Å; Y146-K148 PolarHBondContact O-N 2.96Å; K148-N151 PolarHBondContact O-N 3.1Å; K148-L152 PolarHBondContact O-N 2.7Å; K148-Y185 HydrophobicContact CB-CD2 4.22Å; K148-M188 HydrophobicContact CB-CE 3.89Å; K148-M188 HydrophobicContact CG-CE 3.6Å; K148-M188 HydrophobicContact CG-SD 3.78Å
149F88.7Confident87Confident22 Ų2273.4 Ų73.410%0.09636%0.359CS..Hα-helixtrans-59-47.3176.9-179.5-93.7000112.3C145 Y146 N151 L152 A155 L158 Y163 Y185C145-F149 PolarHBondContact O-N 2.7Å; Y146-F149 WeakPolarHBondContact O-CB 3.39Å; Y146-F149 PolarHBondContact O-N 3.45Å; Y146-F149 VanDerWaalsContact O-N 3.07Å; F149-N151 PolarHBondContact O-N 3.32Å; F149-L152 HydrophobicContact CD2-CD1 3.94Å; F149-L152 HydrophobicContact CE2-CD1 4.49Å; F149-L152 VanDerWaalsContact O-CB 3.25Å; F149-L152 WeakPolarHBondContact O-CB 3.24Å; F149-L152 WeakPolarHBondContact O-CG 3.49Å; F149-L152 PolarHBondContact O-N 3.07Å; F149-A155 HydrophobicContact CE1-CB 4.32Å; F149-A155 HydrophobicContact CZ-CB 4.27Å; F149-L158 HydrophobicContact CE1-CD1 3.91Å; F149-L158 HydrophobicContact CE1-CG 4.44Å; F149-L158 HydrophobicContact CZ-CD1 4.26Å; F149-Y163 HydrophobicContact CB-CD2 4.13Å; F149-Y163 HydrophobicContact CB-CE2 3.69Å; F149-Y163 AromaticContact CD1-CD2 3.75Å; F149-Y163 HydrophobicContact CD1-CD2 3.75Å; F149-Y163 HydrophobicContact CD1-CE2 4.12Å; F149-Y163 HydrophobicContact CD2-CD2 4.32Å; F149-Y163 AromaticContact CD2-CE2 3.99Å; F149-Y163 HydrophobicContact CD2-CE2 3.99Å; F149-Y163 HydrophobicContact CE1-CD2 4.24Å; F149-Y163 AromaticContact CG-CD2 3.8Å; F149-Y163 HydrophobicContact CG-CD2 3.8Å; F149-Y163 AromaticContact CG-CE2 3.66Å; F149-Y163 HydrophobicContact CG-CE2 3.66Å; F149-Y185 HydrophobicContact CB-CD2 4.3Å; F149-Y185 HydrophobicContact CB-CE2 3.78Å; F149-Y185 HydrophobicContact CD2-CE1 4.16Å; F149-Y185 HydrophobicContact CD2-CE2 4.26Å; F149-Y185 AromaticContact CD2-CZ 3.88Å
150V88.6Confident86.8Confident51 Ų5174.7 Ų74.731%0.30936%0.364SS..Hα-helixtrans-62-28.6178.6176.30000112.2Y146 L152Y146-V150 HydrophobicContact CD2-CG2 3.9Å; Y146-V150 HydrophobicContact CE1-CG2 4.12Å; Y146-V150 HydrophobicContact CE2-CG2 3.41Å; Y146-V150 VanDerWaalsContact CE2-CG2 3.41Å; Y146-V150 HydrophobicContact CG-CG2 4.45Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 3.34Å; V150-L152 VanDerWaalsContact C-N 3.3Å
151N87.3Confident86.5Confident127 Ų12776.6 Ų76.668%0.67937%0.374SS*.THydrogen-bonded Turntrans-80.2-8.5177.3-74.1-43.9000113.6R147 K148 F149 K153R147-N151 PolarHBondContact O-ND2 2.91Å; K148-N151 PolarHBondContact O-N 3.1Å; F149-N151 PolarHBondContact O-N 3.32Å; N151-K153 PolarHBondContact O-N 2.97Å
152L85.4Confident86.3Confident21 Ų2176.7 Ų76.711%0.1138%0.378CS..SBendtrans-66.4129.8178-69.1173000111K148 F149 V150 G154 A155 E181 Y182 Y185K148-L152 PolarHBondContact O-N 2.7Å; F149-L152 HydrophobicContact CD2-CD1 3.94Å; F149-L152 HydrophobicContact CE2-CD1 4.49Å; F149-L152 VanDerWaalsContact O-CB 3.25Å; F149-L152 WeakPolarHBondContact O-CB 3.24Å; F149-L152 WeakPolarHBondContact O-CG 3.49Å; F149-L152 PolarHBondContact O-N 3.07Å; V150-L152 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.81Å; L152-G154 VanDerWaalsContact O-N 3.09Å; L152-A155 HydrophobicContact CB-CB 3.88Å; L152-A155 PolarHBondContact O-N 3.44Å; L152-A155 VanDerWaalsContact O-N 3.14Å; L152-E181 HydrophobicContact CD2-CB 3.91Å; L152-Y182 HydrophobicContact CD1-CD2 4.17Å; L152-Y185 HydrophobicContact CD1-CD1 4.11Å; L152-Y185 HydrophobicContact CD1-CG 4Å
153K76.3Confident86.2Confident170 Ų17076.7 Ų76.774%0.73938%0.378SS*.THydrogen-bonded Turntrans-66.1113-178.3-169.2177.6-177.31780111.4N151N151-K153 PolarHBondContact O-N 2.97Å
154G69.8Low86.1Confident48 Ų4872.8 Ų72.850%0.49536%0.36SS..THydrogen-bonded Turntrans88.47.9179.100000114.5L152 R177L152-G154 PolarHBondContact O-N 2.81Å; L152-G154 VanDerWaalsContact O-N 3.09Å; G154-R177 PolarHBondContact O-NE 3.02Å; G154-R177 PolarHBondContact O-NH1 2.7Å
155A71.6Confident85.9Confident29 Ų2970.8 Ų70.824%0.2435%0.354CS..  trans-72.4148.6163.900000110.4F149 L152F149-A155 HydrophobicContact CE1-CB 4.32Å; F149-A155 HydrophobicContact CZ-CB 4.27Å; L152-A155 HydrophobicContact CB-CB 3.88Å; L152-A155 PolarHBondContact O-N 3.44Å; L152-A155 VanDerWaalsContact O-N 3.14Å
156E74.7Confident85.6Confident124 Ų12472.2 Ų72.258%0.57936%0.364SS*.  trans-71141.5173.1-71.6179.3-170.700109.6L158E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 HydrophobicContact CB-CD2 4.3Å; E156-L158 HydrophobicContact CB-CG 4.32Å; E156-L158 PolarHBondContact O-N 2.89Å
157K79.7Confident85.4Confident194 Ų19470.5 Ų70.584%0.84336%0.357SS*.  trans-76.187.4175.4-67.5-173.5179-173.90108.3
158L84.7Confident85Confident43 Ų4364.9 Ų64.923%0.22534%0.339CS..  trans-86.3147.4176.3-61.6177000110.1Y146 F149 E156Y146-L158 VanDerWaalsContact CE2-O 3.23Å; Y146-L158 WeakPolarHBondContact CE2-O 3.29Å; Y146-L158 PolarHBondContact OH-O 3.25Å; F149-L158 HydrophobicContact CE1-CD1 3.91Å; F149-L158 HydrophobicContact CE1-CG 4.44Å; F149-L158 HydrophobicContact CZ-CD1 4.26Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 HydrophobicContact CB-CD2 4.3Å; E156-L158 HydrophobicContact CB-CG 4.32Å; E156-L158 PolarHBondContact O-N 2.89Å
159E90.3Very high84.7Confident139 Ų13962.8 Ų62.865%0.6533%0.33SS*.  trans-72158.7164.3-66.4-178.6177.400109.9I161 S162 Y163E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 HydrophobicContact CB-CG2 4.27Å; E159-I161 PolarHBondContact O-N 3.1Å; E159-S162 PolarHBondContact O-N 3.32Å; E159-S162 VanDerWaalsContact O-N 3.1Å; E159-Y163 PolarHBondContact O-N 2.87Å
160Y91.1Very high84.5Confident43 Ų4361.9 Ų61.917%0.16933%0.327CS..Hα-helixtrans-56.7-42.7-175.6-175.7-122.2000112.6L142 H143 Y146 S162 Y163 L164 V345L142-Y160 PolarHBondContact N-OH 3.42Å; H143-Y160 HydrophobicContact CB-CE2 4.49Å; H143-Y160 PolarHBondContact N-OH 3.07Å; Y146-Y160 AromaticContact CD1-CD2 3.66Å; Y146-Y160 HydrophobicContact CD1-CD2 3.66Å; Y146-Y160 HydrophobicContact CD1-CE2 4.47Å; Y146-Y160 HydrophobicContact CD1-CG 4.4Å; Y146-Y160 HydrophobicContact CD2-CD2 4.02Å; Y146-Y160 HydrophobicContact CE1-CD2 4.33Å; Y146-Y160 AromaticContact CG-CD2 3.48Å; Y146-Y160 HydrophobicContact CG-CD2 3.48Å; Y146-Y160 VanDerWaalsContact CG-CD2 3.48Å; Y146-Y160 HydrophobicContact CG-CE2 4.15Å; Y146-Y160 HydrophobicContact CG-CG 4.49Å; Y160-S162 PolarHBondContact O-N 2.95Å; Y160-Y163 HydrophobicContact CD2-CD1 4.32Å; Y160-Y163 HydrophobicContact CE2-CD1 4.32Å; Y160-Y163 WeakPolarHBondContact O-CB 3.25Å; Y160-Y163 PolarHBondContact O-N 2.87Å; Y160-L164 HydrophobicContact CD1-CD1 4.12Å; Y160-L164 HydrophobicContact CE1-CD1 3.74Å; Y160-L164 HydrophobicContact CE1-CG 4.29Å; Y160-L164 HydrophobicContact CE2-CD2 4.29Å; Y160-L164 HydrophobicContact CE2-CG 4.39Å; Y160-L164 WeakPolarHBondContact O-CG 3.34Å; Y160-L164 PolarHBondContact O-N 2.73Å; Y160-V345 HydrophobicContact CD1-CG1 3.82Å; Y160-V345 HydrophobicContact CD1-CG2 4.21Å; Y160-V345 HydrophobicContact CE1-CG1 4.2Å; Y160-V345 HydrophobicContact CE1-CG2 3.71Å
161I90Very high84.1Confident45 Ų4563.8 Ų63.823%0.23133%0.331CS..Hα-helixtrans-60.5-44.2177-170.3171.8000112.5E159 Y163 L164 S165 Q346E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 HydrophobicContact CB-CG2 4.27Å; E159-I161 PolarHBondContact O-N 3.1Å; I161-Y163 VanDerWaalsContact C-N 3.29Å; I161-Y163 PolarHBondContact O-N 2.91Å; I161-L164 PolarHBondContact O-N 2.69Å; I161-S165 PolarHBondContact O-N 3Å; I161-S165 PolarHBondContact O-OG 3.24Å; I161-Q346 HydrophobicContact CD1-CB 4.5Å; I161-Q346 HydrophobicContact CD1-CG 3.28Å; I161-Q346 HydrophobicContact CG1-CG 4.2Å
162S89.9Confident83.8Confident49 Ų4963.1 Ų63.134%0.34333%0.328SS..Hα-helixtrans-67.4-33.8178.1-530000111.8E159 Y160 S165 S166E159-S162 PolarHBondContact O-N 3.32Å; E159-S162 VanDerWaalsContact O-N 3.1Å; Y160-S162 PolarHBondContact O-N 2.95Å; S162-S165 PolarHBondContact O-N 3.4Å; S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.97Å
163Y91.9Very high83.5Confident1 Ų163.8 Ų63.80%0.00433%0.331CS..Hα-helixtrans-62.8-46.4171.3167.8-93.5000111.2L142 C145 Y146 F149 E159 Y160 I161 S165 S166 F167 Y185L142-Y163 HydrophobicContact CB-CE1 4.21Å; C145-Y163 WeakPolarHBondContact CB-OH 3.47Å; Y146-Y163 AromaticContact CD2-CD1 3.98Å; Y146-Y163 HydrophobicContact CD2-CD1 3.98Å; Y146-Y163 HydrophobicContact CD2-CD2 4.1Å; Y146-Y163 AromaticContact CD2-CG 3.63Å; Y146-Y163 HydrophobicContact CD2-CG 3.63Å; Y146-Y163 HydrophobicContact CE2-CG 4.47Å; Y146-Y163 HydrophobicContact CG-CD1 4.37Å; Y146-Y163 HydrophobicContact CG-CG 4.44Å; F149-Y163 HydrophobicContact CB-CD2 4.13Å; F149-Y163 HydrophobicContact CB-CE2 3.69Å; F149-Y163 AromaticContact CD1-CD2 3.75Å; F149-Y163 HydrophobicContact CD1-CD2 3.75Å; F149-Y163 HydrophobicContact CD1-CE2 4.12Å; F149-Y163 HydrophobicContact CD2-CD2 4.32Å; F149-Y163 AromaticContact CD2-CE2 3.99Å; F149-Y163 HydrophobicContact CD2-CE2 3.99Å; F149-Y163 HydrophobicContact CE1-CD2 4.24Å; F149-Y163 AromaticContact CG-CD2 3.8Å; F149-Y163 HydrophobicContact CG-CD2 3.8Å; F149-Y163 AromaticContact CG-CE2 3.66Å; F149-Y163 HydrophobicContact CG-CE2 3.66Å; E159-Y163 PolarHBondContact O-N 2.87Å; Y160-Y163 HydrophobicContact CD2-CD1 4.32Å; Y160-Y163 HydrophobicContact CE2-CD1 4.32Å; Y160-Y163 WeakPolarHBondContact O-CB 3.25Å; Y160-Y163 PolarHBondContact O-N 2.87Å; I161-Y163 VanDerWaalsContact C-N 3.29Å; I161-Y163 PolarHBondContact O-N 2.91Å; Y163-S165 PolarHBondContact O-N 2.75Å; Y163-S166 CarbonylContact O-C 3.56Å; Y163-S166 PolarHBondContact O-N 3.16Å; Y163-F167 HydrophobicContact CD1-CB 4.43Å; Y163-F167 HydrophobicContact CD2-CB 4.22Å; Y163-F167 HydrophobicContact CE1-CB 4.02Å; Y163-F167 HydrophobicContact CE2-CB 3.8Å; Y163-F167 WeakPolarHBondContact O-CB 3.4Å; Y163-F167 PolarHBondContact O-N 2.95Å; Y163-Y185 VanDerWaalsContact CE2-OH 3.31Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.48Å; Y163-Y185 PolarHBondContact OH-OH 2.86Å
164L90.5Very high83.5Confident7 Ų758.3 Ų58.34%0.03731%0.314CS..Hα-helixtrans-60.6-28.5177.1-68.2178000113.6L142 Y160 I161 S166 F167 T341 V345L142-L164 HydrophobicContact CB-CD2 4.06Å; L142-L164 HydrophobicContact CD1-CD2 3.68Å; L142-L164 HydrophobicContact CG-CD2 4.39Å; Y160-L164 HydrophobicContact CD1-CD1 4.12Å; Y160-L164 HydrophobicContact CE1-CD1 3.74Å; Y160-L164 HydrophobicContact CE1-CG 4.29Å; Y160-L164 HydrophobicContact CE2-CD2 4.29Å; Y160-L164 HydrophobicContact CE2-CG 4.39Å; Y160-L164 WeakPolarHBondContact O-CG 3.34Å; Y160-L164 PolarHBondContact O-N 2.73Å; I161-L164 PolarHBondContact O-N 2.69Å; L164-S166 VanDerWaalsContact C-N 3.35Å; L164-F167 VanDerWaalsContact O-CD1 3.25Å; L164-F167 WeakPolarHBondContact O-CD1 3.37Å; L164-F167 WeakPolarHBondContact O-CE1 3.45Å; L164-T341 HydrophobicContact CD1-CG2 4.27Å; L164-V345 HydrophobicContact CD1-CB 4.09Å; L164-V345 HydrophobicContact CD1-CG1 4.25Å; L164-V345 HydrophobicContact CD1-CG2 3.76Å
165S87.6Confident83.9Confident57 Ų5760.3 Ų60.340%0.39931%0.309SS..THydrogen-bonded Turntrans-78.9-14.2175.2-430000114.4I161 S162 Y163 H342I161-S165 PolarHBondContact O-N 3Å; I161-S165 PolarHBondContact O-OG 3.24Å; S162-S165 PolarHBondContact O-N 3.4Å; Y163-S165 PolarHBondContact O-N 2.75Å; S165-H342 PolarHBondContact OG-NE2 2.88Å
166S86.5Confident83.9Confident35 Ų3566 Ų6625%0.24534%0.335CS..THydrogen-bonded Turntrans-134.8-3.2-168.560.60000115.3S162 Y163 L164 D168 Q169S162-S166 PolarHBondContact O-N 3.41Å; S162-S166 PolarHBondContact O-OG 2.97Å; Y163-S166 CarbonylContact O-C 3.56Å; Y163-S166 PolarHBondContact O-N 3.16Å; L164-S166 VanDerWaalsContact C-N 3.35Å; S166-D168 PolarHBondContact O-N 3.18Å; S166-D168 VanDerWaalsContact O-N 3.14Å; S166-Q169 WeakPolarHBondContact O-CB 3.4Å; S166-Q169 PolarHBondContact O-N 3.33Å
167F87.7Confident84.1Confident5 Ų565.3 Ų65.32%0.02233%0.328CS..THydrogen-bonded Turntrans-63.7-20.9-178.178.4-83.7000113.1L142 Y163 L164 L170 L189 V331 R338L142-F167 HydrophobicContact CD1-CD1 4.36Å; L142-F167 HydrophobicContact CD1-CD2 4.38Å; L142-F167 HydrophobicContact CD1-CE1 4.01Å; L142-F167 HydrophobicContact CD1-CE2 4.03Å; L142-F167 HydrophobicContact CD1-CZ 3.83Å; Y163-F167 HydrophobicContact CD1-CB 4.43Å; Y163-F167 HydrophobicContact CD2-CB 4.22Å; Y163-F167 HydrophobicContact CE1-CB 4.02Å; Y163-F167 HydrophobicContact CE2-CB 3.8Å; Y163-F167 WeakPolarHBondContact O-CB 3.4Å; Y163-F167 PolarHBondContact O-N 2.95Å; L164-F167 VanDerWaalsContact O-CD1 3.25Å; L164-F167 WeakPolarHBondContact O-CD1 3.37Å; L164-F167 WeakPolarHBondContact O-CE1 3.45Å; F167-L170 VanDerWaalsContact O-CD2 3.28Å; F167-L170 WeakPolarHBondContact O-CD2 3.41Å; F167-L189 HydrophobicContact CD2-CD1 4.49Å; F167-L189 HydrophobicContact CD2-CD2 4.28Å; F167-V331 HydrophobicContact CE2-CG2 3.67Å; F167-V331 HydrophobicContact CZ-CG1 4.38Å; F167-V331 HydrophobicContact CZ-CG2 4.17Å; F167-R338 HydrophobicContact CE1-CG 3.78Å; F167-R338 HydrophobicContact CZ-CG 3.94Å
168D82.4Confident84.4Confident31 Ų3156.2 Ų56.217%0.16629%0.288CS..THydrogen-bonded Turntrans-91.9-7.617569.7-42.8000113.2S166 L170 Y328 V331 R338S166-D168 PolarHBondContact O-N 3.18Å; S166-D168 VanDerWaalsContact O-N 3.14Å; D168-L170 PolarHBondContact O-N 3.13Å; D168-L170 VanDerWaalsContact O-N 3.12Å; D168-Y328 WeakPolarHBondContact O-CD1 3.48Å; D168-Y328 WeakPolarHBondContact O-CE1 3.23Å; D168-V331 HydrophobicContact CB-CB 4.39Å; D168-V331 HydrophobicContact CB-CG1 3.72Å; D168-V331 HydrophobicContact CB-CG2 4.36Å; D168-R338 VanDerWaalsContact CG-NH1 3.34Å; D168-R338 IonicContact OD2-CZ 3.65Å; D168-R338 IonicContact OD2-NH1 3.15Å; D168-R338 PolarHBondContact OD2-NH1 3.17Å
169Q84.7Confident84.5Confident77 Ų7756.5 Ų56.536%0.3629%0.289SS..  trans-88.648.9178.6-60.6177.2-6.900111.4S166 F171 D172S166-Q169 WeakPolarHBondContact O-CB 3.4Å; S166-Q169 PolarHBondContact O-N 3.33Å; Q169-F171 HydrophobicContact CB-CE1 4.27Å; Q169-F171 HydrophobicContact CB-CE2 4.37Å; Q169-F171 HydrophobicContact CB-CZ 3.96Å; Q169-F171 HydrophobicContact CG-CE1 4.41Å; Q169-F171 HydrophobicContact CG-CZ 3.98Å; Q169-F171 PolarHBondContact O-N 2.71Å; Q169-F171 VanDerWaalsContact O-N 3.09Å; Q169-D172 PolarHBondContact O-N 2.76Å
170L83.1Confident84.3Confident3 Ų353.1 Ų53.12%0.01629%0.285CS..G310 helixtrans-65.9-15.2-176-54.2173.6000113.1F167 D168 D172 I173 K178 L186 E324 I327 Y328F167-L170 VanDerWaalsContact O-CD2 3.28Å; F167-L170 WeakPolarHBondContact O-CD2 3.41Å; D168-L170 PolarHBondContact O-N 3.13Å; D168-L170 VanDerWaalsContact O-N 3.12Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-I173 HydrophobicContact CD2-CD1 4.13Å; L170-I173 PolarHBondContact O-N 3.26Å; L170-K178 PolarHBondContact O-NZ 3.42Å; L170-L186 HydrophobicContact CD1-CD2 3.74Å; L170-L186 HydrophobicContact CD2-CD2 3.99Å; L170-E324 HydrophobicContact CB-CG 4.24Å; L170-E324 HydrophobicContact CD1-CB 4.22Å; L170-E324 HydrophobicContact CD1-CG 3.97Å; L170-I327 HydrophobicContact CD1-CB 4.1Å; L170-I327 HydrophobicContact CD1-CD1 4.02Å; L170-I327 HydrophobicContact CD1-CG2 3.89Å; L170-Y328 HydrophobicContact CB-CE1 3.81Å; L170-Y328 WeakPolarHBondContact CB-OH 3.28Å; L170-Y328 HydrophobicContact CD1-CE1 4.15Å; L170-Y328 HydrophobicContact CG-CE1 4.09Å
171F81.4Confident84.2Confident91 Ų9155.8 Ų55.840%0.39930%0.3SS..G310 helixtrans-72.7-22.2177.251.4-99.5000113.4Q169 I173 P227 Y328Q169-F171 HydrophobicContact CB-CE1 4.27Å; Q169-F171 HydrophobicContact CB-CE2 4.37Å; Q169-F171 HydrophobicContact CB-CZ 3.96Å; Q169-F171 HydrophobicContact CG-CE1 4.41Å; Q169-F171 HydrophobicContact CG-CZ 3.98Å; Q169-F171 PolarHBondContact O-N 2.71Å; Q169-F171 VanDerWaalsContact O-N 3.09Å; F171-I173 VanDerWaalsContact C-N 3.32Å; F171-P227 HydrophobicContact CB-CB 3.85Å; F171-Y328 HydrophobicContact CD1-CE1 4.26Å; F171-Y328 PolarHBondContact N-OH 2.91Å
172D80.1Confident84.2Confident114 Ų11453.9 Ų53.961%0.6129%0.289SS*.G310 helixtrans-81.3-14.7178.1-70.6-28.7000112.6Q169 L170 S174Q169-D172 PolarHBondContact O-N 2.76Å; L170-D172 VanDerWaalsContact C-N 3.32Å; D172-S174 PolarHBondContact O-N 2.6Å
173I80.6Confident84.3Confident35 Ų3553.7 Ų53.718%0.17928%0.282CS..SBendtrans-74.1116.9178.6-59178.5000109.6L170 F171 R177 K178 Y182L170-I173 HydrophobicContact CD2-CD1 4.13Å; L170-I173 PolarHBondContact O-N 3.26Å; F171-I173 VanDerWaalsContact C-N 3.32Å; I173-R177 HydrophobicContact CG2-CB 3.93Å; I173-K178 HydrophobicContact CG2-CG 4.32Å; I173-K178 WeakPolarHBondContact O-CE 3.37Å; I173-Y182 HydrophobicContact CD1-CE2 3.55Å; I173-Y182 HydrophobicContact CG2-CE2 4.37Å
174S76.1Confident84.3Confident55 Ų5560.5 Ų60.539%0.38531%0.312SS..  trans-54.1140.3177.3174.80000112.4D172 D176 R177D172-S174 PolarHBondContact O-N 2.6Å; S174-D176 PolarHBondContact O-N 3.47Å; S174-D176 VanDerWaalsContact O-N 3.08Å; S174-D176 PolarHBondContact OG-N 3.07Å; S174-R177 WeakPolarHBondContact O-CB 3.23Å; S174-R177 PolarHBondContact O-N 3.45Å
175K76.4Confident84.4Confident90 Ų9060.4 Ų60.439%0.39131%0.311SS..G310 helixtrans-51.1-33.3176.3-174.1179.6175.6-1760113R177 K178 W229 E232K175-R177 PolarHBondContact O-N 3.4Å; K175-K178 PolarHBondContact O-N 2.96Å; K175-W229 HydrophobicContact CD-CZ3 4.43Å; K175-W229 HydrophobicContact CG-CZ3 4.13Å; K175-E232 IonicContact NZ-OE1 2.78Å; K175-E232 PolarHBondContact NZ-OE1 2.85Å; K175-E232 VanDerWaalsContact NZ-OE1 3.15Å
176D73.4Confident84.7Confident148 Ų14857.7 Ų57.779%0.79129%0.292SS*.G310 helixtrans-67.5-23.9178.9-60.7-46.5000113S174S174-D176 PolarHBondContact O-N 3.47Å; S174-D176 VanDerWaalsContact O-N 3.08Å; S174-D176 PolarHBondContact OG-N 3.07Å
177R78.9Confident85.1Confident110 Ų11060 Ų6042%0.41530%0.299SS..G310 helixtrans-88.2-14.2177.5-60.1-176.1-178.3-179.6-0.9112.6G154 I173 S174 K175 N179G154-R177 PolarHBondContact O-NE 3.02Å; G154-R177 PolarHBondContact O-NH1 2.7Å; I173-R177 HydrophobicContact CG2-CB 3.93Å; S174-R177 WeakPolarHBondContact O-CB 3.23Å; S174-R177 PolarHBondContact O-N 3.45Å; K175-R177 PolarHBondContact O-N 3.4Å; R177-N179 PolarHBondContact O-N 2.83Å
178K85.1Confident85.5Confident3 Ų362.5 Ų62.51%0.01331%0.312CS..  trans-77.663.3178-57.6-167.1-178.9-167.80111.8L170 I173 K175 Y182 W229 I320 E324L170-K178 PolarHBondContact O-NZ 3.42Å; I173-K178 HydrophobicContact CG2-CG 4.32Å; I173-K178 WeakPolarHBondContact O-CE 3.37Å; K175-K178 PolarHBondContact O-N 2.96Å; K178-Y182 HydrophobicContact CB-CD1 3.9Å; K178-Y182 HydrophobicContact CB-CE1 4.11Å; K178-Y182 HydrophobicContact CD-CE1 4.05Å; K178-Y182 HydrophobicContact CG-CD1 3.96Å; K178-Y182 HydrophobicContact CG-CE1 3.71Å; K178-W229 HydrophobicContact CB-CH2 4.44Å; K178-W229 HydrophobicContact CD-CH2 3.95Å; K178-W229 HydrophobicContact CD-CZ2 3.41Å; K178-W229 VanDerWaalsContact CD-CZ2 3.41Å; K178-I320 HydrophobicContact CD-CG2 4.4Å; K178-E324 WeakPolarHBondContact CD-OE1 3.28Å; K178-E324 WeakPolarHBondContact CE-OE1 3.25Å; K178-E324 IonicContact NZ-OE1 2.79Å; K178-E324 PolarHBondContact NZ-OE1 2.98Å; K178-E324 IonicContact NZ-OE2 2.85Å; K178-E324 PolarHBondContact NZ-OE2 2.89Å
179N85.8Confident86.1Confident48 Ų4861 Ų6126%0.25730%0.304SS..  trans-91.4-174-178.869.128.8000111.8R177 E181 Y182 K183R177-N179 PolarHBondContact O-N 2.83Å; N179-E181 VanDerWaalsContact C-N 3.32Å; N179-E181 PolarHBondContact O-N 3.48Å; N179-E181 WeakPolarHBondContact OD1-CA 3.43Å; N179-E181 WeakPolarHBondContact OD1-CB 3.45Å; N179-E181 PolarHBondContact OD1-N 3.47Å; N179-Y182 PolarHBondContact O-N 3.21Å; N179-Y182 PolarHBondContact OD1-N 2.85Å; N179-K183 PolarHBondContact O-N 2.79Å
180A87.9Confident86.6Confident68 Ų6857.7 Ų57.756%0.56229%0.288SS*.Hα-helixtrans-67.3-28.118000000113.9K184A180-K184 WeakPolarHBondContact O-CG 3.29Å; A180-K184 PolarHBondContact O-N 2.76Å
181E88.4Confident87.3Confident100 Ų10064 Ų6447%0.46732%0.318SS..Hα-helixtrans-72.5-40.4175.6-62.4175175.200110.7L152 N179 K183 K184 Y185L152-E181 HydrophobicContact CD2-CB 3.91Å; N179-E181 VanDerWaalsContact C-N 3.32Å; N179-E181 PolarHBondContact O-N 3.48Å; N179-E181 WeakPolarHBondContact OD1-CA 3.43Å; N179-E181 WeakPolarHBondContact OD1-CB 3.45Å; N179-E181 PolarHBondContact OD1-N 3.47Å; E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K184 PolarHBondContact O-N 2.8Å; E181-Y185 PolarHBondContact O-N 2.87Å
182Y89.8Confident88Confident5 Ų561.5 Ų61.52%0.0231%0.306CS..Hα-helixtrans-61.1-42.6172.4176.6-104.5000111.7L152 I173 K178 N179 K184 Y185 L186 I320 E324L152-Y182 HydrophobicContact CD1-CD2 4.17Å; I173-Y182 HydrophobicContact CD1-CE2 3.55Å; I173-Y182 HydrophobicContact CG2-CE2 4.37Å; K178-Y182 HydrophobicContact CB-CD1 3.9Å; K178-Y182 HydrophobicContact CB-CE1 4.11Å; K178-Y182 HydrophobicContact CD-CE1 4.05Å; K178-Y182 HydrophobicContact CG-CD1 3.96Å; K178-Y182 HydrophobicContact CG-CE1 3.71Å; N179-Y182 PolarHBondContact O-N 3.21Å; N179-Y182 PolarHBondContact OD1-N 2.85Å; Y182-K184 VanDerWaalsContact C-N 3.32Å; Y182-K184 PolarHBondContact O-N 2.92Å; Y182-Y185 HydrophobicContact CD2-CD1 4.26Å; Y182-Y185 HydrophobicContact CE2-CD1 4.35Å; Y182-Y185 WeakPolarHBondContact O-CB 3.47Å; Y182-Y185 PolarHBondContact O-N 3.34Å; Y182-L186 HydrophobicContact CD1-CD1 3.92Å; Y182-L186 HydrophobicContact CD1-CG 4.27Å; Y182-L186 HydrophobicContact CE1-CD1 3.34Å; Y182-L186 HydrophobicContact CE1-CD2 4.36Å; Y182-L186 HydrophobicContact CE1-CG 3.89Å; Y182-L186 HydrophobicContact CE2-CD2 4.16Å; Y182-L186 HydrophobicContact CE2-CG 4.25Å; Y182-L186 WeakPolarHBondContact O-CG 3.34Å; Y182-L186 PolarHBondContact O-N 3.14Å; Y182-I320 HydrophobicContact CD1-CG2 4.25Å; Y182-I320 HydrophobicContact CE1-CG2 3.98Å; Y182-E324 WeakPolarHBondContact CE1-OE1 3.32Å; Y182-E324 PolarHBondContact OH-OE1 3.09Å
183K91.1Very high88.8Confident44 Ų4456.1 Ų56.119%0.19128%0.277CS..Hα-helixtrans-56-46.4174-172.3-177.6-178.9-165.60111.7N179 E181 Y185 L186 E187 E319 I320 L323N179-K183 PolarHBondContact O-N 2.79Å; E181-K183 VanDerWaalsContact C-N 3.34Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 3.27Å; K183-L186 PolarHBondContact O-N 3.12Å; K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 IonicContact NZ-OE1 3.93Å; K183-E187 WeakPolarHBondContact O-CG 3.39Å; K183-E187 PolarHBondContact O-N 3.18Å; K183-E319 IonicContact NZ-OE2 2.98Å; K183-E319 PolarHBondContact NZ-OE2 3.43Å; K183-I320 HydrophobicContact CB-CD1 4.36Å; K183-I320 HydrophobicContact CB-CG1 4.17Å; K183-I320 HydrophobicContact CD-CG1 4.18Å; K183-I320 HydrophobicContact CG-CG1 4.05Å; K183-L323 HydrophobicContact CG-CD1 3.92Å
184K92.6Very high89.5Confident144 Ų14456.9 Ų56.963%0.62628%0.28SS*.Hα-helixtrans-62.7-38.5177.5-71.2175.5178.6-176.10112.9A180 E181 Y182 E187 M188A180-K184 WeakPolarHBondContact O-CG 3.29Å; A180-K184 PolarHBondContact O-N 2.76Å; E181-K184 PolarHBondContact O-N 2.8Å; Y182-K184 VanDerWaalsContact C-N 3.32Å; Y182-K184 PolarHBondContact O-N 2.92Å; K184-E187 PolarHBondContact O-N 2.96Å; K184-M188 WeakPolarHBondContact O-CB 3.49Å; K184-M188 PolarHBondContact O-N 3.13Å
185Y93Very high90.4Very high6 Ų657.7 Ų57.72%0.02428%0.28CS..Hα-helixtrans-62.4-45173.7160.1-95.9000111.2C145 K148 F149 L152 Y163 E181 Y182 K183 M188 L189C145-Y185 HydrophobicContact CB-CE2 4.49Å; C145-Y185 WeakPolarHBondContact O-CE2 3.46Å; K148-Y185 HydrophobicContact CB-CD2 4.22Å; F149-Y185 HydrophobicContact CB-CD2 4.3Å; F149-Y185 HydrophobicContact CB-CE2 3.78Å; F149-Y185 HydrophobicContact CD2-CE1 4.16Å; F149-Y185 HydrophobicContact CD2-CE2 4.26Å; F149-Y185 AromaticContact CD2-CZ 3.88Å; L152-Y185 HydrophobicContact CD1-CD1 4.11Å; L152-Y185 HydrophobicContact CD1-CG 4Å; Y163-Y185 VanDerWaalsContact CE2-OH 3.31Å; Y163-Y185 WeakPolarHBondContact CE2-OH 3.48Å; Y163-Y185 PolarHBondContact OH-OH 2.86Å; E181-Y185 PolarHBondContact O-N 2.87Å; Y182-Y185 HydrophobicContact CD2-CD1 4.26Å; Y182-Y185 HydrophobicContact CE2-CD1 4.35Å; Y182-Y185 WeakPolarHBondContact O-CB 3.47Å; Y182-Y185 PolarHBondContact O-N 3.34Å; K183-Y185 VanDerWaalsContact C-N 3.33Å; K183-Y185 PolarHBondContact O-N 3.27Å; Y185-M188 PolarHBondContact O-N 3.03Å; Y185-L189 HydrophobicContact CE1-CD2 4.29Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 PolarHBondContact O-N 3.43Å
186L93.8Very high91.4Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-63.7-41.4176.5-68.4-178.7000112.5L170 Y182 K183 M188 L189 L190 I320 L323 E324 I327L170-L186 HydrophobicContact CD1-CD2 3.74Å; L170-L186 HydrophobicContact CD2-CD2 3.99Å; Y182-L186 HydrophobicContact CD1-CD1 3.92Å; Y182-L186 HydrophobicContact CD1-CG 4.27Å; Y182-L186 HydrophobicContact CE1-CD1 3.34Å; Y182-L186 HydrophobicContact CE1-CD2 4.36Å; Y182-L186 HydrophobicContact CE1-CG 3.89Å; Y182-L186 HydrophobicContact CE2-CD2 4.16Å; Y182-L186 HydrophobicContact CE2-CG 4.25Å; Y182-L186 WeakPolarHBondContact O-CG 3.34Å; Y182-L186 PolarHBondContact O-N 3.14Å; K183-L186 PolarHBondContact O-N 3.12Å; L186-M188 VanDerWaalsContact C-N 3.33Å; L186-M188 PolarHBondContact O-N 3.24Å; L186-L189 PolarHBondContact O-N 2.64Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 PolarHBondContact O-N 3.28Å; L186-I320 HydrophobicContact CD1-CG2 3.91Å; L186-L323 HydrophobicContact CB-CB 4.4Å; L186-L323 HydrophobicContact CB-CD1 4.47Å; L186-L323 HydrophobicContact CD1-CB 4.38Å; L186-E324 HydrophobicContact CD1-CG 3.69Å; L186-I327 HydrophobicContact CB-CD1 4.04Å; L186-I327 HydrophobicContact CD2-CD1 3.54Å; L186-I327 HydrophobicContact CG-CD1 4.31Å
187E95.4Very high92.4Very high84 Ų8446.3 Ų46.339%0.39322%0.223SC..Hα-helixtrans-58.6-47.1175.7-73.7168.4168.300110.6K183 K184 L190 E191 L323K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 IonicContact NZ-OE1 3.93Å; K183-E187 WeakPolarHBondContact O-CG 3.39Å; K183-E187 PolarHBondContact O-N 3.18Å; K184-E187 PolarHBondContact O-N 2.96Å; E187-L190 PolarHBondContact O-N 3.39Å; E187-E191 VanDerWaalsContact O-CB 3.29Å; E187-E191 WeakPolarHBondContact O-CB 3.4Å; E187-E191 PolarHBondContact O-N 2.65Å; E187-L323 HydrophobicContact CG-CD1 3.81Å; E187-L323 HydrophobicContact CG-CD2 4.41Å
188M95.6Very high93.2Very high57 Ų5744.9 Ų44.928%0.28122%0.221SC..Hα-helixtrans-65.6-43.2178.3-172.8-168.378.400112.8C145 K148 K184 Y185 L186 Y192C145-M188 HydrophobicContact CB-CE 4.18Å; K148-M188 HydrophobicContact CB-CE 3.89Å; K148-M188 HydrophobicContact CG-CE 3.6Å; K148-M188 HydrophobicContact CG-SD 3.78Å; K184-M188 WeakPolarHBondContact O-CB 3.49Å; K184-M188 PolarHBondContact O-N 3.13Å; Y185-M188 PolarHBondContact O-N 3.03Å; L186-M188 VanDerWaalsContact C-N 3.33Å; L186-M188 PolarHBondContact O-N 3.24Å; M188-Y192 PolarHBondContact O-N 3.46Å; M188-Y192 VanDerWaalsContact O-N 3.07Å
189L95.4Very high93.7Very high0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-63.7-43.8176.6174.862.1000111L142 C145 F167 Y185 L186 Y192 L193 I327L142-L189 HydrophobicContact CD2-CD1 4.09Å; C145-L189 HydrophobicContact CB-CD1 4.36Å; F167-L189 HydrophobicContact CD2-CD1 4.49Å; F167-L189 HydrophobicContact CD2-CD2 4.28Å; Y185-L189 HydrophobicContact CE1-CD2 4.29Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 PolarHBondContact O-N 3.43Å; L186-L189 PolarHBondContact O-N 2.64Å; L189-Y192 PolarHBondContact O-N 3.48Å; L189-L193 HydrophobicContact CD1-CD1 4Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.47Å; L189-L193 WeakPolarHBondContact O-CB 3.43Å; L189-L193 VanDerWaalsContact O-CG 3.25Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.95Å; L189-I327 HydrophobicContact CD2-CD1 4.2Å; L189-I327 HydrophobicContact CD2-CG2 4.21Å; L189-I327 HydrophobicContact CG-CD1 4.47Å
190L95.7Very high94.2Very high7 Ų744.7 Ų44.74%0.03722%0.218CC..Hα-helixtrans-65-44.7178.8178.762.2000111.3L186 E187 Y192 L193 Q194 L323 Q326 I327 Y330L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 PolarHBondContact O-N 3.28Å; E187-L190 PolarHBondContact O-N 3.39Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-Y192 PolarHBondContact O-N 3.15Å; L190-L193 PolarHBondContact O-N 3.17Å; L190-Q194 HydrophobicContact CD1-CG 3.95Å; L190-Q194 HydrophobicContact CG-CG 4.22Å; L190-Q194 VanDerWaalsContact O-CB 3.31Å; L190-Q194 WeakPolarHBondContact O-CB 3.45Å; L190-Q194 VanDerWaalsContact O-CG 3.27Å; L190-Q194 WeakPolarHBondContact O-CG 3.27Å; L190-Q194 PolarHBondContact O-N 3.35Å; L190-L323 HydrophobicContact CD2-CD2 3.57Å; L190-Q326 HydrophobicContact CD1-CB 3.63Å; L190-Q326 HydrophobicContact CD2-CB 3.96Å; L190-Q326 HydrophobicContact CG-CB 4.48Å; L190-I327 HydrophobicContact CB-CD1 4.25Å; L190-I327 HydrophobicContact CB-CG1 3.92Å; L190-I327 HydrophobicContact CD1-CG1 3.96Å; L190-I327 HydrophobicContact CG-CG1 4.46Å; L190-Y330 HydrophobicContact CD1-CD2 3.56Å; L190-Y330 HydrophobicContact CD1-CE2 3.78Å
191E96.5Very high94.5Very high136 Ų13645 Ų4564%0.63621%0.207SC*.Hα-helixtrans-56.3-48.5176.5-178174.6-163.100110.8E187 Q194 D195E187-E191 VanDerWaalsContact O-CB 3.29Å; E187-E191 WeakPolarHBondContact O-CB 3.4Å; E187-E191 PolarHBondContact O-N 2.65Å; E191-Q194 PolarHBondContact O-N 3.48Å; E191-D195 VanDerWaalsContact O-CB 3.24Å; E191-D195 WeakPolarHBondContact O-CB 3.41Å; E191-D195 PolarHBondContact O-N 3.02Å
192Y96.5Very high94.8Very high38 Ų3840.3 Ų40.315%0.14919%0.185CC..Hα-helixtrans-59.1-48.7174.6172.6-93.6000112.3E134 L140 D141 L142 M188 L189 L190 Q194 Y196E134-Y192 PolarHBondContact OE1-OH 3.47Å; L140-Y192 WeakPolarHBondContact CA-OH 3.44Å; L140-Y192 HydrophobicContact CB-CE1 4.49Å; L140-Y192 HydrophobicContact CD2-CE1 4.04Å; D141-Y192 PolarHBondContact N-OH 3.44Å; L142-Y192 HydrophobicContact CD2-CD1 3.73Å; L142-Y192 HydrophobicContact CD2-CE1 3.5Å; L142-Y192 VanDerWaalsContact CD2-CE1 3.5Å; M188-Y192 PolarHBondContact O-N 3.46Å; M188-Y192 VanDerWaalsContact O-N 3.07Å; L189-Y192 PolarHBondContact O-N 3.48Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-Y192 PolarHBondContact O-N 3.15Å; Y192-Q194 VanDerWaalsContact C-N 3.33Å; Y192-Q194 PolarHBondContact O-N 2.9Å; Y192-Y196 AromaticContact CZ-CD2 3.97Å; Y192-Y196 WeakPolarHBondContact O-CB 3.36Å; Y192-Y196 PolarHBondContact O-N 3.46Å; Y192-Y196 WeakPolarHBondContact OH-CD2 3.44Å
193L95.9Very high95Very high1 Ų143.6 Ų43.61%0.00520%0.202CC..Hα-helixtrans-66-35.7-178.4-69.8173.2000112.5L140 L189 L190 T197 I327 V331 L334L140-L193 HydrophobicContact CD2-CD2 4.47Å; L189-L193 HydrophobicContact CD1-CD1 4Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.47Å; L189-L193 WeakPolarHBondContact O-CB 3.43Å; L189-L193 VanDerWaalsContact O-CG 3.25Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.95Å; L190-L193 PolarHBondContact O-N 3.17Å; L193-T197 VanDerWaalsContact O-CB 3.28Å; L193-T197 WeakPolarHBondContact O-CB 3.37Å; L193-T197 PolarHBondContact O-N 2.77Å; L193-T197 PolarHBondContact O-OG1 2.8Å; L193-I327 HydrophobicContact CD1-CG2 4.02Å; L193-V331 HydrophobicContact CD1-CG2 3.84Å; L193-L334 HydrophobicContact CD2-CD1 3.87Å
194Q95.4Very high95.2Very high51 Ų5144.3 Ų44.324%0.23821%0.208CC..Hα-helixtrans-64.4-55.1176.4-81.1179.3-22.800111L190 E191 Y192 T197 E198 Q206 Y330L190-Q194 HydrophobicContact CD1-CG 3.95Å; L190-Q194 HydrophobicContact CG-CG 4.22Å; L190-Q194 VanDerWaalsContact O-CB 3.31Å; L190-Q194 WeakPolarHBondContact O-CB 3.45Å; L190-Q194 VanDerWaalsContact O-CG 3.27Å; L190-Q194 WeakPolarHBondContact O-CG 3.27Å; L190-Q194 PolarHBondContact O-N 3.35Å; E191-Q194 PolarHBondContact O-N 3.48Å; Y192-Q194 VanDerWaalsContact C-N 3.33Å; Y192-Q194 PolarHBondContact O-N 2.9Å; Q194-T197 WeakPolarHBondContact O-CB 3.38Å; Q194-T197 PolarHBondContact O-N 2.96Å; Q194-T197 VanDerWaalsContact O-N 3.14Å; Q194-E198 PolarHBondContact O-N 3.46Å; Q194-Q206 PolarHBondContact O-NE2 2.86Å; Q194-Y330 HydrophobicContact CG-CD2 4.08Å; Q194-Y330 HydrophobicContact CG-CE1 4.03Å; Q194-Y330 HydrophobicContact CG-CE2 3.49Å; Q194-Y330 VanDerWaalsContact CG-CE2 3.49Å; Q194-Y330 VanDerWaalsContact CG-CZ 3.45Å; Q194-Y330 PolarHBondContact NE2-OH 3.21Å
195D96.3Very high95.1Very high71 Ų7141.7 Ų41.738%0.3820%0.201SC..Hα-helixtrans-59.8-47179175.144000111.2E191 T197 E198 R199E191-D195 VanDerWaalsContact O-CB 3.24Å; E191-D195 WeakPolarHBondContact O-CB 3.41Å; E191-D195 PolarHBondContact O-N 3.02Å; D195-T197 VanDerWaalsContact C-N 3.31Å; D195-T197 PolarHBondContact O-N 2.9Å; D195-E198 WeakPolarHBondContact O-CB 3.41Å; D195-E198 PolarHBondContact O-N 2.93Å; D195-E198 VanDerWaalsContact O-N 3.12Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3Å; D195-R199 IonicContact OD1-NH1 3.99Å; D195-R199 PolarHBondContact OD1-NH1 3.33Å; D195-R199 VanDerWaalsContact OD1-NH1 3.1Å; D195-R199 IonicContact OD2-CZ 3.82Å; D195-R199 IonicContact OD2-NH1 2.72Å; D195-R199 PolarHBondContact OD2-NH1 2.99Å; D195-R199 IonicContact OD2-NH2 3.97Å
196Y96.4Very high94.9Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-57.2-44.1173.4-172.1-85.2000111.9F130 E134 G137 Y139 L140 Y192 E198 R199 V200 L334 Q337F130-Y196 HydrophobicContact CD1-CE2 4.49Å; F130-Y196 HydrophobicContact CE1-CE2 4.28Å; E134-Y196 HydrophobicContact CB-CE2 4.18Å; E134-Y196 HydrophobicContact CG-CD2 4.39Å; E134-Y196 HydrophobicContact CG-CE2 3.92Å; E134-Y196 VanDerWaalsContact OE1-CD2 3.23Å; E134-Y196 WeakPolarHBondContact OE1-CD2 3.43Å; G137-Y196 WeakPolarHBondContact CA-OH 3.17Å; G137-Y196 PolarHBondContact O-OH 2.73Å; Y139-Y196 WeakPolarHBondContact O-CE2 3.43Å; Y139-Y196 PolarHBondContact O-OH 3Å; L140-Y196 HydrophobicContact CD2-CD1 3.49Å; L140-Y196 VanDerWaalsContact CD2-CD1 3.49Å; L140-Y196 HydrophobicContact CD2-CD2 3.98Å; L140-Y196 HydrophobicContact CD2-CE1 3.43Å; L140-Y196 VanDerWaalsContact CD2-CE1 3.43Å; L140-Y196 HydrophobicContact CD2-CE2 3.92Å; L140-Y196 HydrophobicContact CD2-CG 3.78Å; L140-Y196 HydrophobicContact CG-CE1 4.39Å; Y192-Y196 AromaticContact CZ-CD2 3.97Å; Y192-Y196 WeakPolarHBondContact O-CB 3.36Å; Y192-Y196 PolarHBondContact O-N 3.46Å; Y192-Y196 WeakPolarHBondContact OH-CD2 3.44Å; Y196-E198 VanDerWaalsContact C-N 3.34Å; Y196-E198 PolarHBondContact O-N 2.98Å; Y196-R199 PolarHBondContact O-N 2.93Å; Y196-R199 VanDerWaalsContact O-N 3.16Å; Y196-V200 HydrophobicContact CD1-CG1 3.94Å; Y196-V200 HydrophobicContact CD1-CG2 3.92Å; Y196-V200 HydrophobicContact CE1-CB 4.24Å; Y196-V200 HydrophobicContact CE1-CG1 3.37Å; Y196-V200 HydrophobicContact CE1-CG2 3.82Å; Y196-V200 HydrophobicContact CE2-CG1 4.36Å; Y196-V200 WeakPolarHBondContact O-CG2 3.44Å; Y196-V200 PolarHBondContact O-N 3.2Å; Y196-L334 HydrophobicContact CD1-CD1 3.94Å; Y196-L334 HydrophobicContact CD1-CD2 3.84Å; Y196-L334 HydrophobicContact CE1-CD2 3.94Å; Y196-Q337 HydrophobicContact CE1-CG 4.21Å
197T95.9Very high94.8Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-63.3-38.6177.7-58.30000111.9L193 Q194 D195 R199 K201 L204 Y330 I333 L334L193-T197 VanDerWaalsContact O-CB 3.28Å; L193-T197 WeakPolarHBondContact O-CB 3.37Å; L193-T197 PolarHBondContact O-N 2.77Å; L193-T197 PolarHBondContact O-OG1 2.8Å; Q194-T197 WeakPolarHBondContact O-CB 3.38Å; Q194-T197 PolarHBondContact O-N 2.96Å; Q194-T197 VanDerWaalsContact O-N 3.14Å; D195-T197 VanDerWaalsContact C-N 3.31Å; D195-T197 PolarHBondContact O-N 2.9Å; T197-R199 VanDerWaalsContact C-N 3.3Å; T197-R199 PolarHBondContact O-N 3.27Å; T197-K201 CarbonylContact O-C 3.5Å; T197-K201 WeakPolarHBondContact O-CA 3.46Å; T197-K201 PolarHBondContact O-N 3.48Å; T197-L204 HydrophobicContact CG2-CD2 3.96Å; T197-Y330 HydrophobicContact CG2-CD1 4.25Å; T197-Y330 HydrophobicContact CG2-CE1 4.39Å; T197-I333 HydrophobicContact CG2-CG2 4.22Å; T197-L334 WeakPolarHBondContact OG1-CD1 3.34Å
198E95.1Very high94.7Very high79 Ų7948.9 Ų48.937%0.36924%0.242SC..Hα-helixtrans-61-41173.3-66.8-167.215900111.6Q194 D195 Y196 P202 Q206Q194-E198 PolarHBondContact O-N 3.46Å; D195-E198 WeakPolarHBondContact O-CB 3.41Å; D195-E198 PolarHBondContact O-N 2.93Å; D195-E198 VanDerWaalsContact O-N 3.12Å; Y196-E198 VanDerWaalsContact C-N 3.34Å; Y196-E198 PolarHBondContact O-N 2.98Å; E198-P202 VanDerWaalsContact O-CA 3.3Å; E198-P202 WeakPolarHBondContact O-CA 3.45Å; E198-Q206 VanDerWaalsContact CG-CD 3.42Å; E198-Q206 HydrophobicContact CG-CG 3.97Å; E198-Q206 WeakPolarHBondContact OE1-CG 3.15Å; E198-Q206 PolarHBondContact OE1-OE1 2.98Å
199R95.4Very high94.6Very high37 Ų3747.1 Ų47.114%0.1423%0.233CC..Hα-helixtrans-68.3-45.8178.4-66.4-160.9-74.1-90.23.2113H41 V128 E129 F130 E134 D195 Y196 T197H41-R199 PolarHBondContact NE2-O 3.11Å; V128-R199 HydrophobicContact CG2-CB 3.82Å; V128-R199 HydrophobicContact CG2-CG 3.53Å; E129-R199 WeakPolarHBondContact O-CD 3.47Å; F130-R199 HydrophobicContact CE1-CB 3.66Å; F130-R199 HydrophobicContact CE2-CB 4.38Å; F130-R199 HydrophobicContact CZ-CB 3.54Å; E134-R199 IonicContact OE1-CZ 3.42Å; E134-R199 IonicContact OE1-NH2 3.38Å; E134-R199 PolarHBondContact OE1-NH2 3.24Å; E134-R199 IonicContact OE2-NH2 3.51Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3Å; D195-R199 IonicContact OD1-NH1 3.99Å; D195-R199 PolarHBondContact OD1-NH1 3.33Å; D195-R199 VanDerWaalsContact OD1-NH1 3.1Å; D195-R199 IonicContact OD2-CZ 3.82Å; D195-R199 IonicContact OD2-NH1 2.72Å; D195-R199 PolarHBondContact OD2-NH1 2.99Å; D195-R199 IonicContact OD2-NH2 3.97Å; Y196-R199 PolarHBondContact O-N 2.93Å; Y196-R199 VanDerWaalsContact O-N 3.16Å; T197-R199 VanDerWaalsContact C-N 3.3Å; T197-R199 PolarHBondContact O-N 3.27Å
200V95.4Very high94.5Very high10 Ų1051.9 Ų51.96%0.06125%0.252CS..Hα-helixtrans-83.6-26.4-175.7-62.50000114.1F130 Y196 L334F130-V200 HydrophobicContact CE1-CG1 3.72Å; F130-V200 HydrophobicContact CZ-CG1 3.79Å; Y196-V200 HydrophobicContact CD1-CG1 3.94Å; Y196-V200 HydrophobicContact CD1-CG2 3.92Å; Y196-V200 HydrophobicContact CE1-CB 4.24Å; Y196-V200 HydrophobicContact CE1-CG1 3.37Å; Y196-V200 HydrophobicContact CE1-CG2 3.82Å; Y196-V200 HydrophobicContact CE2-CG1 4.36Å; Y196-V200 WeakPolarHBondContact O-CG2 3.44Å; Y196-V200 PolarHBondContact O-N 3.2Å; V200-L334 HydrophobicContact CG2-CD2 3.73Å
201K94.8Very high94.5Very high75 Ų7553.5 Ų53.533%0.32627%0.271SS..  trans-133.462.8-177.1-68.1179.2-178.1-179.70110.3T197 L203 L204 I333T197-K201 CarbonylContact O-C 3.5Å; T197-K201 WeakPolarHBondContact O-CA 3.46Å; T197-K201 PolarHBondContact O-N 3.48Å; K201-L203 PolarHBondContact O-N 2.94Å; K201-L203 VanDerWaalsContact O-N 3.08Å; K201-L204 HydrophobicContact CB-CB 4.24Å; K201-L204 VanDerWaalsContact O-CB 3.28Å; K201-L204 WeakPolarHBondContact O-CB 3.28Å; K201-L204 PolarHBondContact O-N 3.35Å; K201-I333 HydrophobicContact CD-CG2 3.95Å; K201-I333 PolarHBondContact NZ-O 3.46Å
202P95.1Very high94.4Very high2 Ų252.8 Ų52.81%0.01327%0.265CS..THydrogen-bonded Turntrans-64.4-18.5-174.927.3-37000113.9D40 H41 R44 E198 L204D40-P202 HydrophobicContact CB-CG 3.69Å; H41-P202 HydrophobicContact CB-CG 4.49Å; R44-P202 HydrophobicContact CB-CB 4.25Å; R44-P202 WeakPolarHBondContact CD-O 3.14Å; R44-P202 PolarHBondContact NH1-O 2.81Å; E198-P202 VanDerWaalsContact O-CA 3.3Å; E198-P202 WeakPolarHBondContact O-CA 3.45Å; P202-L204 VanDerWaalsContact C-N 3.31Å
203L94.4Very high94.3Very high73 Ų7351.2 Ų51.238%0.38226%0.259SS..THydrogen-bonded Turntrans-83.9-5176.8-60.5179.7000113.7D40 T43 R44 L47 K201D40-L203 HydrophobicContact CB-CD1 4.02Å; D40-L203 HydrophobicContact CB-CG 4.09Å; D40-L203 WeakPolarHBondContact O-CD2 3.31Å; T43-L203 HydrophobicContact CG2-CD1 4.26Å; T43-L203 HydrophobicContact CG2-CD2 3.75Å; R44-L203 HydrophobicContact CB-CD2 4.2Å; L47-L203 HydrophobicContact CD1-CD2 4.03Å; K201-L203 PolarHBondContact O-N 2.94Å; K201-L203 VanDerWaalsContact O-N 3.08Å
204L94.1Very high94.2Very high60 Ų6053.8 Ų53.831%0.31427%0.273SS..SBendtrans-78.9123.1174.2-17664.3000109.8T197 K201 P202 Q206 L209 I333T197-L204 HydrophobicContact CG2-CD2 3.96Å; K201-L204 HydrophobicContact CB-CB 4.24Å; K201-L204 VanDerWaalsContact O-CB 3.28Å; K201-L204 WeakPolarHBondContact O-CB 3.28Å; K201-L204 PolarHBondContact O-N 3.35Å; P202-L204 VanDerWaalsContact C-N 3.31Å; L204-Q206 PolarHBondContact O-N 3.2Å; L204-Q206 VanDerWaalsContact O-N 3.11Å; L204-L209 HydrophobicContact CD2-CD2 4.17Å; L204-I333 HydrophobicContact CD2-CD1 4.22Å; L204-I333 HydrophobicContact CD2-CG2 4.3Å
205D92.1Very high94.1Very high88 Ų8852.5 Ų52.547%0.47127%0.274SS..  trans-74.6102.6174.9-173.1-12.6000110.4N207 D208 L209D205-N207 VanDerWaalsContact C-N 3.27Å; D205-N207 PolarHBondContact O-N 3.32Å; D205-N207 WeakPolarHBondContact OD1-CB 3.49Å; D205-N207 PolarHBondContact OD1-N 3.47Å; D205-D208 HydrophobicContact CB-CB 4.02Å; D205-D208 PolarHBondContact O-N 3.49Å; D205-D208 PolarHBondContact OD1-N 3.08Å; D205-L209 WeakPolarHBondContact O-CB 3.11Å; D205-L209 PolarHBondContact O-N 3.42Å
206Q88.3Confident94Very high28 Ų2853.5 Ų53.513%0.13128%0.276CS..Hα-helixtrans-60.6-33.4177.2-69.1-111.3-10.700112.7Q194 E198 L204 L209 Y210 Y330Q194-Q206 PolarHBondContact O-NE2 2.86Å; E198-Q206 VanDerWaalsContact CG-CD 3.42Å; E198-Q206 HydrophobicContact CG-CG 3.97Å; E198-Q206 WeakPolarHBondContact OE1-CG 3.15Å; E198-Q206 PolarHBondContact OE1-OE1 2.98Å; L204-Q206 PolarHBondContact O-N 3.2Å; L204-Q206 VanDerWaalsContact O-N 3.11Å; Q206-L209 PolarHBondContact O-N 3Å; Q206-Y210 WeakPolarHBondContact O-CB 3.41Å; Q206-Y210 PolarHBondContact O-N 2.95Å; Q206-Y330 PolarHBondContact OE1-OH 3.34Å
207N91.7Very high93.9Very high135 Ų13553.7 Ų53.772%0.72228%0.277SS*.Hα-helixtrans-72.1-43.1-178.6-63.3-57.5000110.9D205 Y210 G211D205-N207 VanDerWaalsContact C-N 3.27Å; D205-N207 PolarHBondContact O-N 3.32Å; D205-N207 WeakPolarHBondContact OD1-CB 3.49Å; D205-N207 PolarHBondContact OD1-N 3.47Å; N207-Y210 PolarHBondContact O-N 2.93Å; N207-G211 PolarHBondContact O-N 3.43Å
208D93.3Very high93.8Very high79 Ų7957.7 Ų57.742%0.42230%0.296SS..Hα-helixtrans-64.3-42.2174.2-176.644.8000110.9D205 G211 K212D205-D208 HydrophobicContact CB-CB 4.02Å; D205-D208 PolarHBondContact O-N 3.49Å; D205-D208 PolarHBondContact OD1-N 3.08Å; D208-G211 PolarHBondContact O-N 3.06Å; D208-K212 WeakPolarHBondContact O-CG 3.4Å; D208-K212 PolarHBondContact O-N 2.91Å; D208-K212 WeakPolarHBondContact OD1-CE 3.32Å; D208-K212 IonicContact OD1-NZ 3.44Å; D208-K212 WeakPolarHBondContact OD2-CE 3.44Å; D208-K212 IonicContact OD2-NZ 3.91Å; D208-K212 PolarHBondContact OD2-NZ 2.85Å
209L93Very high93.6Very high20 Ų2060.6 Ų60.611%0.10531%0.307CS..Hα-helixtrans-58.8-51.5174.218062.9000111.3L204 D205 Q206 G211 K212 I213 Y330 I333L204-L209 HydrophobicContact CD2-CD2 4.17Å; D205-L209 WeakPolarHBondContact O-CB 3.11Å; D205-L209 PolarHBondContact O-N 3.42Å; Q206-L209 PolarHBondContact O-N 3Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 3.41Å; L209-K212 WeakPolarHBondContact O-CB 3.01Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.12Å; L209-I213 HydrophobicContact CD1-CD1 4.04Å; L209-I213 HydrophobicContact CD1-CG1 4.22Å; L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 3.82Å; L209-I213 HydrophobicContact CG-CG1 4.39Å; L209-I213 VanDerWaalsContact O-CG1 3.28Å; L209-I213 WeakPolarHBondContact O-CG1 3.33Å; L209-I213 PolarHBondContact O-N 3.33Å; L209-Y330 HydrophobicContact CD2-CD1 4.31Å; L209-Y330 HydrophobicContact CD2-CE1 3.67Å; L209-I333 HydrophobicContact CD1-CD1 3.91Å; L209-I333 HydrophobicContact CD2-CD1 3.53Å; L209-I333 HydrophobicContact CG-CD1 4.39Å
210Y93.1Very high93.3Very high99 Ų9962.4 Ų62.439%0.38832%0.316SS..Hα-helixtrans-57.1-44.2177.9-179.2-89.6000112Q206 N207 K212 I213 L214 F322Q206-Y210 WeakPolarHBondContact O-CB 3.41Å; Q206-Y210 PolarHBondContact O-N 2.95Å; N207-Y210 PolarHBondContact O-N 2.93Å; Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 3.13Å; Y210-I213 PolarHBondContact O-N 2.95Å; Y210-L214 HydrophobicContact CE1-CD2 4.27Å; Y210-L214 WeakPolarHBondContact O-CB 3.2Å; Y210-L214 PolarHBondContact O-N 3.39Å; Y210-F322 HydrophobicContact CD2-CZ 4.5Å; Y210-F322 AromaticContact CE2-CE1 3.88Å; Y210-F322 HydrophobicContact CE2-CE1 3.88Å; Y210-F322 AromaticContact CE2-CZ 3.66Å; Y210-F322 HydrophobicContact CE2-CZ 3.66Å; Y210-F322 AromaticContact CZ-CE1 3.96Å; Y210-F322 AromaticContact CZ-CZ 3.74Å; Y210-F322 WeakPolarHBondContact OH-CE1 3.31Å
211G94.8Very high93.1Very high42 Ų4265.1 Ų65.143%0.43333%0.325SS..Hα-helixtrans-60.1-40.8176.600000113N207 D208 L209 G215N207-G211 PolarHBondContact O-N 3.43Å; D208-G211 PolarHBondContact O-N 3.06Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 3.41Å; G211-G215 PolarHBondContact O-N 3.41Å
212K95.1Very high92.7Very high121 Ų12168.7 Ų68.753%0.52634%0.343SS..Hα-helixtrans-64.7-48.8174.3-71.8170.6-171.3163.10111.6D208 L209 Y210 L214 G215 E216D208-K212 WeakPolarHBondContact O-CG 3.4Å; D208-K212 PolarHBondContact O-N 2.91Å; D208-K212 WeakPolarHBondContact OD1-CE 3.32Å; D208-K212 IonicContact OD1-NZ 3.44Å; D208-K212 WeakPolarHBondContact OD2-CE 3.44Å; D208-K212 IonicContact OD2-NZ 3.91Å; D208-K212 PolarHBondContact OD2-NZ 2.85Å; L209-K212 WeakPolarHBondContact O-CB 3.01Å; L209-K212 PolarHBondContact O-N 3.42Å; L209-K212 VanDerWaalsContact O-N 3.12Å; Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 3.13Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 3.42Å; K212-G215 PolarHBondContact O-N 3.03Å; K212-E216 WeakPolarHBondContact O-CG 3.22Å; K212-E216 PolarHBondContact O-N 3.23Å
213I94.2Very high92.3Very high4 Ų474.9 Ų74.92%0.02137%0.373CS..Hα-helixtrans-58.7-46.9179.6-63.2172.1000110.1L209 Y210 E216 F217 F322 Q326 E329L209-I213 HydrophobicContact CD1-CD1 4.04Å; L209-I213 HydrophobicContact CD1-CG1 4.22Å; L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 3.82Å; L209-I213 HydrophobicContact CG-CG1 4.39Å; L209-I213 VanDerWaalsContact O-CG1 3.28Å; L209-I213 WeakPolarHBondContact O-CG1 3.33Å; L209-I213 PolarHBondContact O-N 3.33Å; Y210-I213 PolarHBondContact O-N 2.95Å; I213-E216 PolarHBondContact O-N 3.14Å; I213-F217 WeakPolarHBondContact O-CB 3.13Å; I213-F217 PolarHBondContact O-N 3.43Å; I213-F322 HydrophobicContact CG2-CE2 4.27Å; I213-Q326 HydrophobicContact CG2-CG 3.89Å; I213-E329 HydrophobicContact CD1-CB 3.74Å; I213-E329 HydrophobicContact CD1-CG 4.14Å; I213-E329 HydrophobicContact CG1-CB 4.02Å; I213-E329 HydrophobicContact CG1-CG 3.9Å; I213-E329 HydrophobicContact CG2-CG 4.43Å
214L94.6Very high91.8Very high55 Ų5572.4 Ų72.429%0.28837%0.365SS..Hα-helixtrans-59.8-49177.6-179.562.3000111.5Y210 K212 E216 F217 E218 F322Y210-L214 HydrophobicContact CE1-CD2 4.27Å; Y210-L214 WeakPolarHBondContact O-CB 3.2Å; Y210-L214 PolarHBondContact O-N 3.39Å; K212-L214 VanDerWaalsContact C-N 3.33Å; K212-L214 PolarHBondContact O-N 3.42Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 3.45Å; L214-F217 PolarHBondContact O-N 2.92Å; L214-E218 HydrophobicContact CD1-CG 4.17Å; L214-E218 WeakPolarHBondContact O-CB 3.33Å; L214-E218 WeakPolarHBondContact O-CG 3.28Å; L214-E218 PolarHBondContact O-N 2.84Å; L214-F322 HydrophobicContact CB-CE2 4.27Å; L214-F322 HydrophobicContact CB-CZ 4.4Å; L214-F322 HydrophobicContact CD1-CE2 3.86Å; L214-F322 HydrophobicContact CD1-CZ 4.03Å
215G93.5Very high91.5Very high25 Ų2573.7 Ų73.726%0.25838%0.375SS..Hα-helixtrans-64.2-36.1-179.900000113.6G211 K212 K219G211-G215 PolarHBondContact O-N 3.41Å; K212-G215 PolarHBondContact O-N 3.03Å; G215-K219 WeakPolarHBondContact O-CD 3.46Å; G215-K219 VanDerWaalsContact O-CG 3.27Å; G215-K219 WeakPolarHBondContact O-CG 3.47Å; G215-K219 PolarHBondContact O-N 3.02Å
216E93.7Very high91.2Very high91 Ų9170 Ų7043%0.42536%0.355SS..Hα-helixtrans-72-43173.6-72.6-144.2169.300112.6K212 I213 L214 K219 K220K212-E216 WeakPolarHBondContact O-CG 3.22Å; K212-E216 PolarHBondContact O-N 3.23Å; I213-E216 PolarHBondContact O-N 3.14Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-E216 PolarHBondContact O-N 3.45Å; E216-K219 PolarHBondContact O-N 3.33Å; E216-K220 WeakPolarHBondContact O-CG 3.46Å; E216-K220 PolarHBondContact O-N 2.8Å; E216-K220 IonicContact OE2-NZ 3.35Å; E216-K220 PolarHBondContact OE2-NZ 2.82Å
217F94.1Very high91Very high5 Ų571.5 Ų71.52%0.02237%0.368CS..Hα-helixtrans-60.1-48.1177.8172-103.6000110.8I213 L214 K219 K220 W221 F226 K318 A321 F322I213-F217 WeakPolarHBondContact O-CB 3.13Å; I213-F217 PolarHBondContact O-N 3.43Å; L214-F217 PolarHBondContact O-N 2.92Å; F217-K219 VanDerWaalsContact C-N 3.31Å; F217-K219 PolarHBondContact O-N 3.35Å; F217-K220 PolarHBondContact O-N 3.33Å; F217-W221 HydrophobicContact CE1-CB 4.35Å; F217-W221 HydrophobicContact CE1-CG 4.42Å; F217-W221 HydrophobicContact CE2-CB 4.44Å; F217-W221 HydrophobicContact CE2-CD2 4.5Å; F217-W221 HydrophobicContact CE2-CE3 4Å; F217-W221 HydrophobicContact CZ-CB 4.24Å; F217-W221 HydrophobicContact CZ-CD2 4.01Å; F217-W221 AromaticContact CZ-CE3 3.86Å; F217-W221 HydrophobicContact CZ-CE3 3.86Å; F217-W221 HydrophobicContact CZ-CG 4.18Å; F217-W221 WeakPolarHBondContact O-CB 3.42Å; F217-W221 PolarHBondContact O-N 3.1Å; F217-F226 AromaticContact CD2-CD2 3.85Å; F217-F226 HydrophobicContact CD2-CD2 3.85Å; F217-F226 AromaticContact CD2-CE2 3.7Å; F217-F226 HydrophobicContact CD2-CE2 3.7Å; F217-F226 HydrophobicContact CD2-CZ 4.27Å; F217-F226 HydrophobicContact CE2-CD1 4.49Å; F217-F226 HydrophobicContact CE2-CD2 4.03Å; F217-F226 HydrophobicContact CE2-CE1 4.45Å; F217-F226 AromaticContact CE2-CE2 4Å; F217-F226 HydrophobicContact CE2-CE2 4Å; F217-F226 HydrophobicContact CE2-CG 4.3Å; F217-F226 HydrophobicContact CE2-CZ 4.21Å; F217-K318 HydrophobicContact CE1-CG 4.04Å; F217-K318 HydrophobicContact CZ-CG 4.06Å; F217-A321 HydrophobicContact CE2-CB 3.83Å; F217-A321 HydrophobicContact CZ-CB 3.98Å; F217-F322 HydrophobicContact CB-CD2 4.13Å; F217-F322 HydrophobicContact CB-CE2 4.43Å; F217-F322 HydrophobicContact CD1-CB 4.28Å; F217-F322 AromaticContact CD1-CD2 3.56Å; F217-F322 HydrophobicContact CD1-CD2 3.56Å; F217-F322 HydrophobicContact CD1-CE2 4.36Å; F217-F322 HydrophobicContact CD1-CG 4.28Å; F217-F322 HydrophobicContact CD2-CD2 4.35Å; F217-F322 HydrophobicContact CE1-CB 3.84Å; F217-F322 HydrophobicContact CE1-CD2 4.01Å; F217-F322 HydrophobicContact CE1-CG 4.28Å; F217-F322 HydrophobicContact CE2-CB 4.32Å; F217-F322 AromaticContact CG-CD2 3.75Å; F217-F322 HydrophobicContact CG-CD2 3.75Å; F217-F322 HydrophobicContact CG-CE2 4.49Å; F217-F322 HydrophobicContact CZ-CB 3.87Å
218E93.1Very high90.5Very high84 Ų8466.1 Ų66.139%0.39334%0.344SS..Hα-helixtrans-57.9-44178.9-74.4-176.7157.500111.7L214 W221 E222L214-E218 HydrophobicContact CD1-CG 4.17Å; L214-E218 WeakPolarHBondContact O-CB 3.33Å; L214-E218 WeakPolarHBondContact O-CG 3.28Å; L214-E218 PolarHBondContact O-N 2.84Å; E218-W221 PolarHBondContact O-N 3.12Å; E218-E222 WeakPolarHBondContact O-CB 3.45Å; E218-E222 VanDerWaalsContact O-CG 3.29Å; E218-E222 WeakPolarHBondContact O-CG 3.49Å; E218-E222 PolarHBondContact O-N 3.21Å
219K92.2Very high90Very high139 Ų13963.3 Ų63.360%0.60433%0.327SS*.Hα-helixtrans-61-51.4174.9-68.8168.3-172.1170.40111.9G215 E216 F217 W221 E222 M223G215-K219 WeakPolarHBondContact O-CD 3.46Å; G215-K219 VanDerWaalsContact O-CG 3.27Å; G215-K219 WeakPolarHBondContact O-CG 3.47Å; G215-K219 PolarHBondContact O-N 3.02Å; E216-K219 PolarHBondContact O-N 3.33Å; F217-K219 VanDerWaalsContact C-N 3.31Å; F217-K219 PolarHBondContact O-N 3.35Å; K219-W221 VanDerWaalsContact C-N 3.3Å; K219-W221 PolarHBondContact O-N 2.96Å; K219-E222 PolarHBondContact O-N 2.98Å; K219-M223 WeakPolarHBondContact O-CB 3.36Å; K219-M223 WeakPolarHBondContact O-CG 3.46Å; K219-M223 PolarHBondContact O-N 3.38Å
220K89.8Confident88.9Confident76 Ų7667.4 Ų67.433%0.3336%0.356SS..Hα-helixtrans-62.8-37.3-179.9-69.6170.6-170.8162.90111.2E216 F217 G224 T225 F226E216-K220 WeakPolarHBondContact O-CG 3.46Å; E216-K220 PolarHBondContact O-N 2.8Å; E216-K220 IonicContact OE2-NZ 3.35Å; E216-K220 PolarHBondContact OE2-NZ 2.82Å; F217-K220 PolarHBondContact O-N 3.33Å; K220-G224 PolarHBondContact O-N 3.14Å; K220-T225 PolarHBondContact O-N 3.43Å; K220-T225 PolarHBondContact O-OG1 3.03Å; K220-F226 HydrophobicContact CB-CD2 4.3Å
221W89.3Confident87.7Confident66 Ų6668.4 Ų68.425%0.2536%0.362CS..Hα-helixtrans-70.3-46.8179-173.4-100.4000112.3F217 E218 K219 M223 G224 F226 W229 K318 A321F217-W221 HydrophobicContact CE1-CB 4.35Å; F217-W221 HydrophobicContact CE1-CG 4.42Å; F217-W221 HydrophobicContact CE2-CB 4.44Å; F217-W221 HydrophobicContact CE2-CD2 4.5Å; F217-W221 HydrophobicContact CE2-CE3 4Å; F217-W221 HydrophobicContact CZ-CB 4.24Å; F217-W221 HydrophobicContact CZ-CD2 4.01Å; F217-W221 AromaticContact CZ-CE3 3.86Å; F217-W221 HydrophobicContact CZ-CE3 3.86Å; F217-W221 HydrophobicContact CZ-CG 4.18Å; F217-W221 WeakPolarHBondContact O-CB 3.42Å; F217-W221 PolarHBondContact O-N 3.1Å; E218-W221 PolarHBondContact O-N 3.12Å; K219-W221 VanDerWaalsContact C-N 3.3Å; K219-W221 PolarHBondContact O-N 2.96Å; W221-M223 VanDerWaalsContact C-N 3.33Å; W221-M223 PolarHBondContact O-N 2.65Å; W221-G224 PolarHBondContact O-N 2.97Å; W221-F226 HydrophobicContact CE3-CB 4.24Å; W221-F226 HydrophobicContact CE3-CG 4.48Å; W221-W229 HydrophobicContact CZ3-CB 3.89Å; W221-W229 HydrophobicContact CZ3-CD2 4.46Å; W221-W229 HydrophobicContact CZ3-CG 4.06Å; W221-K318 HydrophobicContact CD2-CG 4.35Å; W221-K318 HydrophobicContact CH2-CB 4.41Å; W221-K318 HydrophobicContact CZ2-CB 3.83Å; W221-K318 HydrophobicContact CZ2-CG 4.06Å; W221-A321 HydrophobicContact CE3-CB 4.07Å; W221-A321 HydrophobicContact CH2-CB 4.15Å; W221-A321 HydrophobicContact CZ3-CB 3.49Å; W221-A321 VanDerWaalsContact CZ3-CB 3.49Å
222E87.3Confident85.8Confident151 Ų15172.8 Ų72.871%0.70637%0.371SS*.Hα-helixtrans-62.4-40.9175.9-75.9-176.7174.500111.8E218 K219 G224 K231E218-E222 WeakPolarHBondContact O-CB 3.45Å; E218-E222 VanDerWaalsContact O-CG 3.29Å; E218-E222 WeakPolarHBondContact O-CG 3.49Å; E218-E222 PolarHBondContact O-N 3.21Å; K219-E222 PolarHBondContact O-N 2.98Å; E222-G224 VanDerWaalsContact C-N 3.25Å; E222-G224 PolarHBondContact O-N 3.18Å; E222-K231 PolarHBondContact O-NZ 3.48Å
223M86.1Confident83.3Confident132 Ų13273.1 Ų73.165%0.6538%0.384SS*.Hα-helixtrans-67.3-28.3173.5-68.5174.267.600111.8K219 W221 T225 K231K219-M223 WeakPolarHBondContact O-CB 3.36Å; K219-M223 WeakPolarHBondContact O-CG 3.46Å; K219-M223 PolarHBondContact O-N 3.38Å; W221-M223 VanDerWaalsContact C-N 3.33Å; W221-M223 PolarHBondContact O-N 2.65Å; M223-T225 HydrophobicContact CB-CG2 4.14Å; M223-K231 VanDerWaalsContact C-NZ 3.27Å; M223-K231 PolarHBondContact O-NZ 3.49Å
224G84Confident80.6Confident20 Ų2078 Ų7821%0.20642%0.418CS..THydrogen-bonded Turntrans7726.7-17700000113.2K220 W221 E222 K231K220-G224 PolarHBondContact O-N 3.14Å; W221-G224 PolarHBondContact O-N 2.97Å; E222-G224 VanDerWaalsContact C-N 3.25Å; E222-G224 PolarHBondContact O-N 3.18Å; G224-K231 VanDerWaalsContact CA-CE 3.44Å
225T87.3Confident77.8Confident87 Ų8778.3 Ų78.353%0.53443%0.425SS..  trans-100.46.217953.70000112.1K220 M223 P227K220-T225 PolarHBondContact O-N 3.43Å; K220-T225 PolarHBondContact O-OG1 3.03Å; M223-T225 HydrophobicContact CB-CG2 4.14Å; T225-P227 WeakPolarHBondContact O-CD 3.46Å
226F87Confident75.1Confident10 Ų1080.6 Ų80.64%0.04444%0.441CS..  trans-67.4124-178.4-168.3-97.2000111.4F217 K220 W221 W229 A321 E324 Y328F217-F226 AromaticContact CD2-CD2 3.85Å; F217-F226 HydrophobicContact CD2-CD2 3.85Å; F217-F226 AromaticContact CD2-CE2 3.7Å; F217-F226 HydrophobicContact CD2-CE2 3.7Å; F217-F226 HydrophobicContact CD2-CZ 4.27Å; F217-F226 HydrophobicContact CE2-CD1 4.49Å; F217-F226 HydrophobicContact CE2-CD2 4.03Å; F217-F226 HydrophobicContact CE2-CE1 4.45Å; F217-F226 AromaticContact CE2-CE2 4Å; F217-F226 HydrophobicContact CE2-CE2 4Å; F217-F226 HydrophobicContact CE2-CG 4.3Å; F217-F226 HydrophobicContact CE2-CZ 4.21Å; K220-F226 HydrophobicContact CB-CD2 4.3Å; W221-F226 HydrophobicContact CE3-CB 4.24Å; W221-F226 HydrophobicContact CE3-CG 4.48Å; F226-W229 HydrophobicContact CD1-CB 4.14Å; F226-W229 AromaticContact CD1-CD1 3.49Å; F226-W229 VanDerWaalsContact CD1-CD1 3.49Å; F226-W229 HydrophobicContact CD1-CG 4.11Å; F226-W229 AromaticContact CE1-CD1 3.61Å; F226-W229 PolarHBondContact O-N 3.29Å; F226-A321 HydrophobicContact CD1-CB 4.06Å; F226-A321 HydrophobicContact CE1-CB 3.84Å; F226-A321 WeakPolarHBondContact CE1-O 3.45Å; F226-A321 WeakPolarHBondContact CZ-O 3.22Å; F226-E324 HydrophobicContact CZ-CB 4.47Å; F226-Y328 HydrophobicContact CZ-CD2 4.5Å; F226-Y328 HydrophobicContact CZ-CE2 4.08Å
227P83.9Confident72.5Confident61 Ų6183.9 Ų83.940%0.39646%0.461SS..THydrogen-bonded Turntrans-57.3143-178-25.834.9000113.3F171 T225 W229F171-P227 HydrophobicContact CB-CB 3.85Å; T225-P227 WeakPolarHBondContact O-CD 3.46Å; P227-W229 PolarHBondContact O-N 3.02Å; P227-W229 VanDerWaalsContact O-N 3.13Å
228G80.9Confident70.1Confident22 Ų2288.2 Ų88.223%0.22749%0.488CS..THydrogen-bonded Turntrans72.3-3.3-179.200000115.3
229W82.9Confident67.8Low19 Ų1992 Ų927%0.07251%0.505CS..  trans-132.264.3178.2-64.288.8000111.5K175 K178 W221 F226 P227 K231 N317 I320 A321 E324K175-W229 HydrophobicContact CD-CZ3 4.43Å; K175-W229 HydrophobicContact CG-CZ3 4.13Å; K178-W229 HydrophobicContact CB-CH2 4.44Å; K178-W229 HydrophobicContact CD-CH2 3.95Å; K178-W229 HydrophobicContact CD-CZ2 3.41Å; K178-W229 VanDerWaalsContact CD-CZ2 3.41Å; W221-W229 HydrophobicContact CZ3-CB 3.89Å; W221-W229 HydrophobicContact CZ3-CD2 4.46Å; W221-W229 HydrophobicContact CZ3-CG 4.06Å; F226-W229 HydrophobicContact CD1-CB 4.14Å; F226-W229 AromaticContact CD1-CD1 3.49Å; F226-W229 VanDerWaalsContact CD1-CD1 3.49Å; F226-W229 HydrophobicContact CD1-CG 4.11Å; F226-W229 AromaticContact CE1-CD1 3.61Å; F226-W229 PolarHBondContact O-N 3.29Å; P227-W229 PolarHBondContact O-N 3.02Å; P227-W229 VanDerWaalsContact O-N 3.13Å; W229-K231 PolarHBondContact O-N 2.88Å; W229-N317 HydrophobicContact CE3-CB 4.12Å; W229-N317 HydrophobicContact CH2-CB 3.64Å; W229-N317 HydrophobicContact CZ3-CB 3.37Å; W229-I320 HydrophobicContact CH2-CB 4.46Å; W229-I320 HydrophobicContact CZ2-CB 3.94Å; W229-I320 HydrophobicContact CZ2-CG2 3.75Å; W229-A321 HydrophobicContact CD2-CB 4.17Å; W229-A321 HydrophobicContact CG-CB 4.05Å; W229-A321 HydrophobicContact CZ2-CB 4.46Å; W229-E324 PolarHBondContact NE1-OE2 3.39Å
230P70.1Confident65.8Low107 Ų10788.9 Ų88.970%0.69551%0.505SS*.  trans-59135.4176.125.7-32.7000109.4E232P230-E232 PolarHBondContact O-N 3.14Å; P230-E232 VanDerWaalsContact O-N 3.16Å
231K67Low64.2Low120 Ų12085.9 Ų85.952%0.52250%0.496SS..  trans-53.5127.2163.3-85.3179.2178.9162.80106.4E222 M223 G224 W229 T233E222-K231 PolarHBondContact O-NZ 3.48Å; M223-K231 VanDerWaalsContact C-NZ 3.27Å; M223-K231 PolarHBondContact O-NZ 3.49Å; G224-K231 VanDerWaalsContact CA-CE 3.44Å; W229-K231 PolarHBondContact O-N 2.88Å; K231-T233 PolarHBondContact O-N 3.41Å
232E55.8Low63.2Low133 Ų13384.7 Ų84.762%0.62150%0.501SS*.  trans-5599.5166.4-76.2178-164.100105.7K175 P230 S234K175-E232 IonicContact NZ-OE1 2.78Å; K175-E232 PolarHBondContact NZ-OE1 2.85Å; K175-E232 VanDerWaalsContact NZ-OE1 3.15Å; P230-E232 PolarHBondContact O-N 3.14Å; P230-E232 VanDerWaalsContact O-N 3.16Å; E232-S234 PolarHBondContact O-N 2.69Å
233T41.8Very low62.4Low129 Ų12984.3 Ų84.379%0.79150%0.498SS*.  trans-56.897.7157.435.40000102.2K231 S235K231-T233 PolarHBondContact O-N 3.41Å; T233-S235 PolarHBondContact O-N 3.3Å
234S38.1Very low62.1Low105 Ų10579.1 Ų79.173%0.73447%0.473SS*.  trans-51.7106172.9-68.60000103.5E232 A236E232-S234 PolarHBondContact O-N 2.69Å; S234-A236 PolarHBondContact O-N 3.08Å
235S35Very low61.8Low63 Ų6382.7 Ų82.744%0.44149%0.488SS..  trans-60.496.5174.5179.20000104.1T233 L237 T238T233-S235 PolarHBondContact O-N 3.3Å; S235-L237 PolarHBondContact O-N 3.31Å; S235-T238 PolarHBondContact O-N 2.96Å; S235-T238 VanDerWaalsContact O-N 3.14Å; S235-T238 PolarHBondContact O-OG1 2.99Å
236A38.3Very low61.5Low73 Ų7379.4 Ų79.460%0.60347%0.466SS*.Hα-helixtrans-58.7-12.517800000110.3S234 A240S234-A236 PolarHBondContact O-N 3.08Å; A236-A240 WeakPolarHBondContact O-CB 3.44Å
237L39.2Very low61.1Low160 Ų16082.6 Ų82.684%0.83849%0.49SS*.Hα-helixtrans-82-19.4178.4-9676.3000115.5S235S235-L237 PolarHBondContact O-N 3.31Å
238T43.6Very low60.8Low95 Ų9583.3 Ų83.358%0.58350%0.501SS*.Hα-helixtrans-103.2-14.1-175.256.50000114.8S235S235-T238 PolarHBondContact O-N 2.96Å; S235-T238 VanDerWaalsContact O-N 3.14Å; S235-T238 PolarHBondContact O-OG1 2.99Å
239H44.2Very low60.9Low163 Ų16384.1 Ų84.176%0.75550%0.499SS*.Hα-helixtrans-124.1-13.2-175.8-68.6-60.7000115.7G241H239-G241 PolarHBondContact O-N 2.84Å
240A49.5Very low60.9Low74 Ų7487.4 Ų87.461%0.61253%0.525SS*.  trans-92.997.2174.100000109.2A236A236-A240 WeakPolarHBondContact O-CB 3.44Å
241G56Low61.7Low14 Ų1483.8 Ų83.814%0.14450%0.502CS..PPolyproline II helixtrans-57.9156164.800000111.5H239 S265 A269H239-G241 PolarHBondContact O-N 2.84Å; G241-S265 WeakPolarHBondContact CA-O 3.49Å; G241-A269 VanDerWaalsContact C-CB 3.46Å; G241-A269 WeakPolarHBondContact O-CB 3.3Å
242A69.4Low62.6Low41 Ų4181.3 Ų81.334%0.33949%0.489SS..PPolyproline II helixtrans-79.2128.3177.500000110.6L244 S265A242-L244 PolarHBondContact O-N 2.86Å; A242-S265 PolarHBondContact N-OG 3.27Å
243H69.9Low64Low143 Ų14379.7 Ų79.766%0.66248%0.482SS*.PPolyproline II helixtrans-61.6131.4176.1-165.4-79.3000110.2
244L79.3Confident66Low23 Ų2377.1 Ų77.112%0.1246%0.461CS..  trans-111.3124.1176.3-174.472.7000108.2A242 L246 F249 L255 L258 A266 L285A242-L244 PolarHBondContact O-N 2.86Å; L244-L246 HydrophobicContact CD2-CD2 4.04Å; L244-L246 HydrophobicContact CG-CD2 4.38Å; L244-L246 PolarHBondContact O-N 3.28Å; L244-F249 HydrophobicContact CD1-CE2 4.44Å; L244-F249 HydrophobicContact CD2-CE2 4.41Å; L244-F249 HydrophobicContact CG-CE2 4.37Å; L244-L255 HydrophobicContact CD2-CD2 3.75Å; L244-L258 HydrophobicContact CD1-CD1 4.35Å; L244-L258 HydrophobicContact CD2-CD1 3.72Å; L244-A266 HydrophobicContact CB-CB 3.72Å; L244-A266 HydrophobicContact CD2-CB 4.22Å; L244-L285 HydrophobicContact CD2-CD2 3.89Å
245D78.9Confident68.1Low95 Ų9572.1 Ų72.151%0.50843%0.426SS..  trans-73.4116.6172.7-177.311.7000109.8S247 F249D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.1Å; D245-S247 PolarHBondContact OD1-N 3.41Å; D245-S247 PolarHBondContact OD1-OG 2.92Å; D245-S247 VanDerWaalsContact OD1-OG 3.07Å; D245-S247 PolarHBondContact OD2-OG 2.64Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 WeakPolarHBondContact O-CE2 3.48Å
246L80.4Confident70.5Confident17 Ų1770 Ų709%0.08941%0.412CS..  trans-85.8-8.3-179.2-56.2177.1000112.5L244 A248 F249 L255 L285 K289L244-L246 HydrophobicContact CD2-CD2 4.04Å; L244-L246 HydrophobicContact CG-CD2 4.38Å; L244-L246 PolarHBondContact O-N 3.28Å; L246-A248 PolarHBondContact O-N 2.72Å; L246-F249 PolarHBondContact O-N 3.25Å; L246-L255 HydrophobicContact CD2-CD1 4.14Å; L246-L255 HydrophobicContact CD2-CD2 4Å; L246-L285 HydrophobicContact CD1-CG 4.44Å; L246-L285 VanDerWaalsContact CD1-O 3.23Å; L246-L285 WeakPolarHBondContact CD1-O 3.42Å; L246-L285 HydrophobicContact CD2-CD1 4.5Å; L246-L285 HydrophobicContact CD2-CD2 4.13Å; L246-L285 HydrophobicContact CD2-CG 3.91Å; L246-K289 HydrophobicContact CB-CB 4.2Å; L246-K289 HydrophobicContact CB-CD 4.3Å; L246-K289 HydrophobicContact CB-CG 4.03Å; L246-K289 HydrophobicContact CD1-CB 4.24Å; L246-K289 WeakPolarHBondContact O-CD 3.44Å; L246-K289 WeakPolarHBondContact O-CE 3.4Å; L246-K289 PolarHBondContact O-NZ 2.87Å
247S78.6Confident72.7Confident77 Ų7771.2 Ų71.254%0.53842%0.416SS..THydrogen-bonded Turntrans-58.5-38.5-179.876.90000111.8D245 F249 K289D245-S247 VanDerWaalsContact C-N 3.34Å; D245-S247 VanDerWaalsContact OD1-CB 3.23Å; D245-S247 WeakPolarHBondContact OD1-CB 3.1Å; D245-S247 PolarHBondContact OD1-N 3.41Å; D245-S247 PolarHBondContact OD1-OG 2.92Å; D245-S247 VanDerWaalsContact OD1-OG 3.07Å; D245-S247 PolarHBondContact OD2-OG 2.64Å; S247-F249 VanDerWaalsContact C-N 3.3Å; S247-F249 PolarHBondContact O-N 3.36Å; S247-K289 PolarHBondContact O-NZ 3.35Å
248A77.4Confident74.7Confident77 Ų7766.6 Ų66.664%0.63639%0.392SS*.THydrogen-bonded Turntrans-73.2-10.3-176.600000115.4L246L246-A248 PolarHBondContact O-N 2.72Å
249F84.2Confident76.5Confident38 Ų3863.2 Ų63.217%0.16738%0.376CS..  trans-108.8126.4-175.1-61.8-85.6000111.3L244 D245 L246 S247 E254 L255 L258 K289L244-F249 HydrophobicContact CD1-CE2 4.44Å; L244-F249 HydrophobicContact CD2-CE2 4.41Å; L244-F249 HydrophobicContact CG-CE2 4.37Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 WeakPolarHBondContact O-CE2 3.48Å; L246-F249 PolarHBondContact O-N 3.25Å; S247-F249 VanDerWaalsContact C-N 3.3Å; S247-F249 PolarHBondContact O-N 3.36Å; F249-E254 WeakPolarHBondContact CA-OE2 3.27Å; F249-E254 HydrophobicContact CD1-CB 3.97Å; F249-L255 HydrophobicContact CB-CD2 4.11Å; F249-L255 HydrophobicContact CB-CG 4.03Å; F249-L255 HydrophobicContact CD1-CD2 3.76Å; F249-L255 HydrophobicContact CD1-CG 4.09Å; F249-L255 HydrophobicContact CD2-CD2 3.61Å; F249-L255 HydrophobicContact CD2-CG 4.45Å; F249-L255 HydrophobicContact CE1-CD2 4.05Å; F249-L255 HydrophobicContact CE2-CD2 3.92Å; F249-L255 HydrophobicContact CG-CD2 3.52Å; F249-L255 HydrophobicContact CG-CG 3.92Å; F249-L255 HydrophobicContact CZ-CD2 4.13Å; F249-L258 HydrophobicContact CE1-CD1 3.92Å; F249-L258 HydrophobicContact CE1-CD2 4.24Å; F249-L258 HydrophobicContact CE1-CG 4.26Å; F249-L258 HydrophobicContact CE2-CD1 4.48Å; F249-L258 HydrophobicContact CZ-CD1 3.71Å; F249-L258 HydrophobicContact CZ-CD2 4.26Å; F249-L258 HydrophobicContact CZ-CG 4.41Å; F249-K289 PolarHBondContact O-NZ 2.76Å
250S82.9Confident78.2Confident89 Ų8959.1 Ų59.162%0.62236%0.36SS*.SBendtrans-88.3-19.8-175.775.30000113.5E254S250-E254 PolarHBondContact N-OE2 3.43Å; S250-E254 VanDerWaalsContact OG-CD 3.3Å; S250-E254 PolarHBondContact OG-OE1 3.31Å; S250-E254 PolarHBondContact OG-OE2 2.93Å
251S86.1Confident79.5Confident31 Ų3162.1 Ų62.122%0.21737%0.365CS..SBendtrans-149165.5-175.868.60000111.8E253 E254S251-E253 VanDerWaalsContact C-N 3.31Å; S251-E253 VanDerWaalsContact CB-OE2 3.23Å; S251-E253 WeakPolarHBondContact CB-OE2 3.46Å; S251-E253 PolarHBondContact OG-OE2 2.91Å; S251-E254 PolarHBondContact OG-N 3.13Å
252W85.1Confident80.7Confident67 Ų6766.9 Ų66.925%0.25438%0.379SS..Hα-helixtrans-76.9-22.5177.965-87.3000111.6E254 L255 A256 E279 A282 Q283 F286W252-E254 VanDerWaalsContact C-N 3.33Å; W252-L255 WeakPolarHBondContact O-CB 3.42Å; W252-L255 PolarHBondContact O-N 3.1Å; W252-A256 PolarHBondContact O-N 3Å; W252-E279 HydrophobicContact CH2-CB 4.33Å; W252-E279 HydrophobicContact CH2-CG 4.39Å; W252-E279 HydrophobicContact CZ3-CB 3.71Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; W252-A282 HydrophobicContact CE3-CB 4.35Å; W252-A282 WeakPolarHBondContact O-CB 3.44Å; W252-Q283 HydrophobicContact CB-CG 4.16Å; W252-Q283 HydrophobicContact CD2-CG 3.51Å; W252-Q283 HydrophobicContact CE3-CG 3.74Å; W252-Q283 HydrophobicContact CG-CG 3.69Å; W252-Q283 HydrophobicContact CZ3-CG 4.42Å; W252-F286 HydrophobicContact CB-CB 3.92Å; W252-F286 HydrophobicContact CB-CD1 4.39Å; W252-F286 HydrophobicContact CB-CG 4.11Å
253E86Confident81.3Confident99 Ų9965 Ų6546%0.46336%0.363SS..Hα-helixtrans-64.5-35.8174.5-64.185.6164.600111.6S251 A256 S257S251-E253 VanDerWaalsContact C-N 3.31Å; S251-E253 VanDerWaalsContact CB-OE2 3.23Å; S251-E253 WeakPolarHBondContact CB-OE2 3.46Å; S251-E253 PolarHBondContact OG-OE2 2.91Å; E253-A256 WeakPolarHBondContact O-CB 3.35Å; E253-A256 PolarHBondContact O-N 3.05Å; E253-S257 PolarHBondContact O-N 2.84Å
254E83.8Confident81.9Confident76 Ų7662.6 Ų62.636%0.35535%0.351SS..Hα-helixtrans-68.2-36.2172.8-71.2173.3-174.600111.9F249 S250 S251 W252 S257F249-E254 WeakPolarHBondContact CA-OE2 3.27Å; F249-E254 HydrophobicContact CD1-CB 3.97Å; S250-E254 PolarHBondContact N-OE2 3.43Å; S250-E254 VanDerWaalsContact OG-CD 3.3Å; S250-E254 PolarHBondContact OG-OE1 3.31Å; S250-E254 PolarHBondContact OG-OE2 2.93Å; S251-E254 PolarHBondContact OG-N 3.13Å; W252-E254 VanDerWaalsContact C-N 3.33Å; E254-S257 WeakPolarHBondContact O-CB 3.35Å; E254-S257 PolarHBondContact O-N 3.37Å; E254-S257 PolarHBondContact O-OG 2.92Å
255L82.7Confident81.9Confident0 Ų062.9 Ų62.90%036%0.355CS..Hα-helixtrans-69.8-34.7174.8-73.6171.4000112.4L244 L246 F249 W252 S257 L258 L263 A282 F286L244-L255 HydrophobicContact CD2-CD2 3.75Å; L246-L255 HydrophobicContact CD2-CD1 4.14Å; L246-L255 HydrophobicContact CD2-CD2 4Å; F249-L255 HydrophobicContact CB-CD2 4.11Å; F249-L255 HydrophobicContact CB-CG 4.03Å; F249-L255 HydrophobicContact CD1-CD2 3.76Å; F249-L255 HydrophobicContact CD1-CG 4.09Å; F249-L255 HydrophobicContact CD2-CD2 3.61Å; F249-L255 HydrophobicContact CD2-CG 4.45Å; F249-L255 HydrophobicContact CE1-CD2 4.05Å; F249-L255 HydrophobicContact CE2-CD2 3.92Å; F249-L255 HydrophobicContact CG-CD2 3.52Å; F249-L255 HydrophobicContact CG-CG 3.92Å; F249-L255 HydrophobicContact CZ-CD2 4.13Å; W252-L255 WeakPolarHBondContact O-CB 3.42Å; W252-L255 PolarHBondContact O-N 3.1Å; L255-S257 PolarHBondContact O-N 2.84Å; L255-L258 HydrophobicContact CD2-CD1 3.85Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.23Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-L263 HydrophobicContact CB-CD2 4.22Å; L255-A282 HydrophobicContact CB-CB 4.13Å; L255-F286 HydrophobicContact CD1-CB 3.81Å; L255-F286 HydrophobicContact CD1-CD2 3.69Å; L255-F286 HydrophobicContact CD1-CG 4.22Å
256A84.4Confident82Confident17 Ų1758.4 Ų58.414%0.1433%0.331CS..Hα-helixtrans-58-35.2174.700000111.8W252 E253 L258 G259 L278 A282W252-A256 PolarHBondContact O-N 3Å; E253-A256 WeakPolarHBondContact O-CB 3.35Å; E253-A256 PolarHBondContact O-N 3.05Å; A256-L258 PolarHBondContact O-N 3.08Å; A256-G259 PolarHBondContact O-N 3.2Å; A256-L278 HydrophobicContact CB-CD2 3.41Å; A256-L278 VanDerWaalsContact CB-CD2 3.41Å; A256-L278 WeakPolarHBondContact O-CD2 3.46Å; A256-A282 HydrophobicContact CB-CB 4.07Å
257S84.6Confident82.2Confident100 Ų10057.6 Ų57.670%0.69933%0.327SS*.THydrogen-bonded Turntrans-65-18.4178.280.30000114.5E253 E254 L255 G259E253-S257 PolarHBondContact O-N 2.84Å; E254-S257 WeakPolarHBondContact O-CB 3.35Å; E254-S257 PolarHBondContact O-N 3.37Å; E254-S257 PolarHBondContact O-OG 2.92Å; L255-S257 PolarHBondContact O-N 2.84Å; S257-G259 PolarHBondContact O-N 3.24Å
258L82.3Confident82.2Confident62 Ų6257.5 Ų57.533%0.32532%0.319SS..THydrogen-bonded Turntrans-73.5-11.9177.4-60.2176.6000113.6L244 F249 L255 A256 R262L244-L258 HydrophobicContact CD1-CD1 4.35Å; L244-L258 HydrophobicContact CD2-CD1 3.72Å; F249-L258 HydrophobicContact CE1-CD1 3.92Å; F249-L258 HydrophobicContact CE1-CD2 4.24Å; F249-L258 HydrophobicContact CE1-CG 4.26Å; F249-L258 HydrophobicContact CE2-CD1 4.48Å; F249-L258 HydrophobicContact CZ-CD1 3.71Å; F249-L258 HydrophobicContact CZ-CD2 4.26Å; F249-L258 HydrophobicContact CZ-CG 4.41Å; L255-L258 HydrophobicContact CD2-CD1 3.85Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.23Å; L255-L258 VanDerWaalsContact O-N 3.14Å; A256-L258 PolarHBondContact O-N 3.08Å; L258-R262 HydrophobicContact CB-CB 4.09Å; L258-R262 HydrophobicContact CB-CG 4.19Å; L258-R262 HydrophobicContact CD1-CG 4.42Å; L258-R262 WeakPolarHBondContact O-CB 3.48Å
259G81.1Confident82.3Confident25 Ų2555.6 Ų55.626%0.25830%0.303SS..Hα-helixtrans82.5165.1177.300000114.9A256 S257 D261 R262 L263A256-G259 PolarHBondContact O-N 3.2Å; S257-G259 PolarHBondContact O-N 3.24Å; G259-D261 VanDerWaalsContact C-N 3.34Å; G259-D261 PolarHBondContact O-N 3.48Å; G259-R262 PolarHBondContact O-N 3.2Å; G259-L263 WeakPolarHBondContact O-CG 3.29Å; G259-L263 PolarHBondContact O-N 3.27Å
260L79.4Confident81.9Confident77 Ų7755.4 Ų55.440%0.40330%0.303SS..Hα-helixtrans-59.8-39.2-172-85.7162.3000113.6K264 L278L260-K264 WeakPolarHBondContact O-CB 3.12Å; L260-K264 PolarHBondContact O-N 3.12Å; L260-L278 HydrophobicContact CD2-CB 4.02Å; L260-L278 HydrophobicContact CG-CB 4.22Å; L260-L278 HydrophobicContact CG-CD1 4.13Å; L260-L278 HydrophobicContact CG-CG 4.42Å
261D76.1Confident81.6Confident136 Ų13653 Ų5373%0.72729%0.292SS*.Hα-helixtrans-72.2-39.2-174.5-66.8-45.7000112.3G259 K264 S265G259-D261 VanDerWaalsContact C-N 3.34Å; G259-D261 PolarHBondContact O-N 3.48Å; D261-K264 PolarHBondContact O-N 3.49Å; D261-S265 WeakPolarHBondContact O-CB 3.35Å; D261-S265 PolarHBondContact O-N 3.28Å
262R81.9Confident81.5Confident115 Ų11551.7 Ų51.743%0.43428%0.283SS..Hα-helixtrans-69.7-41177.7-166.465.7178.8179.23.6111.5L258 G259 S265 A266L258-R262 HydrophobicContact CB-CB 4.09Å; L258-R262 HydrophobicContact CB-CG 4.19Å; L258-R262 HydrophobicContact CD1-CG 4.42Å; L258-R262 WeakPolarHBondContact O-CB 3.48Å; G259-R262 PolarHBondContact O-N 3.2Å; R262-S265 PolarHBondContact O-N 2.9Å; R262-A266 WeakPolarHBondContact O-CB 3.34Å; R262-A266 PolarHBondContact O-N 3.43Å
263L82.1Confident81.5Confident0 Ų052.9 Ų52.90%029%0.29CS..Hα-helixtrans-65.2-42.1175-69.6174.1000112.2L255 G259 S265 A266 L267 L278 R281 A282 L285L255-L263 HydrophobicContact CB-CD2 4.22Å; G259-L263 WeakPolarHBondContact O-CG 3.29Å; G259-L263 PolarHBondContact O-N 3.27Å; L263-S265 VanDerWaalsContact C-N 3.35Å; L263-A266 PolarHBondContact O-N 3.28Å; L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.5Å; L263-L278 HydrophobicContact CD1-CG 4.25Å; L263-R281 HydrophobicContact CB-CB 4.37Å; L263-R281 HydrophobicContact CD1-CB 4.41Å; L263-A282 HydrophobicContact CD1-CB 4Å; L263-A282 HydrophobicContact CD2-CB 4.29Å; L263-L285 HydrophobicContact CD2-CD2 3.7Å
264K81.9Confident81.3Confident94 Ų9449.6 Ų49.641%0.40928%0.277SS..Hα-helixtrans-60.9-45.8175-170.7-172.3177.4-175.10110.5L260 D261 L267 M268 C274L260-K264 WeakPolarHBondContact O-CB 3.12Å; L260-K264 PolarHBondContact O-N 3.12Å; D261-K264 PolarHBondContact O-N 3.49Å; K264-L267 PolarHBondContact O-N 2.9Å; K264-M268 HydrophobicContact CD-CE 4.38Å; K264-M268 HydrophobicContact CG-CE 3.92Å; K264-M268 HydrophobicContact CG-SD 4.28Å; K264-M268 WeakPolarHBondContact O-CB 3.17Å; K264-M268 VanDerWaalsContact O-CG 3.25Å; K264-M268 WeakPolarHBondContact O-CG 3.35Å; K264-M268 PolarHBondContact O-N 2.95Å; K264-C274 HydrophobicContact CG-CB 4.14Å
265S80.3Confident81Confident29 Ų2948.1 Ų48.120%0.20328%0.283CS..Hα-helixtrans-60.6-48177.3-167.30000111.8G241 A242 D261 R262 L263 L267 M268 A269G241-S265 WeakPolarHBondContact CA-O 3.49Å; A242-S265 PolarHBondContact N-OG 3.27Å; D261-S265 WeakPolarHBondContact O-CB 3.35Å; D261-S265 PolarHBondContact O-N 3.28Å; R262-S265 PolarHBondContact O-N 2.9Å; L263-S265 VanDerWaalsContact C-N 3.35Å; S265-L267 PolarHBondContact O-N 3.37Å; S265-M268 PolarHBondContact O-N 3.45Å; S265-A269 PolarHBondContact O-N 3.45Å
266A80.7Confident81Confident1 Ų150 Ų501%0.00830%0.302CS..Hα-helixtrans-65.2-38.2178.700000113.5L244 R262 L263 A269 L270 L285L244-A266 HydrophobicContact CB-CB 3.72Å; L244-A266 HydrophobicContact CD2-CB 4.22Å; R262-A266 WeakPolarHBondContact O-CB 3.34Å; R262-A266 PolarHBondContact O-N 3.43Å; L263-A266 PolarHBondContact O-N 3.28Å; A266-A269 WeakPolarHBondContact O-CB 3.23Å; A266-A269 PolarHBondContact O-N 2.89Å; A266-L270 PolarHBondContact O-N 2.87Å; A266-L285 HydrophobicContact CB-CD1 3.89Å; A266-L285 HydrophobicContact CB-CD2 3.58Å; A266-L285 HydrophobicContact CB-CG 4.41Å
267L84.1Confident81.1Confident0 Ų052.7 Ų52.70%032%0.317CS..Hα-helixtrans-67.3-38.1174.8-74169.5000112.2L263 K264 S265 A269 L270 G271 L272 R281 R284 L285L263-L267 WeakPolarHBondContact O-CB 3.28Å; L263-L267 VanDerWaalsContact O-CG 3.28Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.5Å; K264-L267 PolarHBondContact O-N 2.9Å; S265-L267 PolarHBondContact O-N 3.37Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-L270 PolarHBondContact O-N 3.46Å; L267-G271 PolarHBondContact O-N 3.47Å; L267-L272 HydrophobicContact CB-CB 4.41Å; L267-L272 HydrophobicContact CD2-CB 3.85Å; L267-L272 HydrophobicContact CD2-CD1 3.82Å; L267-L272 PolarHBondContact O-N 2.73Å; L267-R281 HydrophobicContact CD1-CB 3.73Å; L267-R281 HydrophobicContact CD1-CG 3.94Å; L267-R284 HydrophobicContact CD2-CB 4.29Å; L267-R284 HydrophobicContact CD2-CG 4.13Å; L267-L285 HydrophobicContact CD2-CB 3.88Å; L267-L285 HydrophobicContact CD2-CD1 4.08Å; L267-L285 HydrophobicContact CG-CB 4.29Å; L267-L285 HydrophobicContact CG-CD1 4.35Å
268M79.1Confident81.1Confident75 Ų7550.8 Ų50.837%0.36930%0.298SS..Hα-helixtrans-65.4-37.6173.6-72.4-176.4-57.700111.6K264 S265 L270 G271 C274K264-M268 HydrophobicContact CD-CE 4.38Å; K264-M268 HydrophobicContact CG-CE 3.92Å; K264-M268 HydrophobicContact CG-SD 4.28Å; K264-M268 WeakPolarHBondContact O-CB 3.17Å; K264-M268 VanDerWaalsContact O-CG 3.25Å; K264-M268 WeakPolarHBondContact O-CG 3.35Å; K264-M268 PolarHBondContact O-N 2.95Å; S265-M268 PolarHBondContact O-N 3.45Å; M268-L270 PolarHBondContact O-N 3.04Å; M268-G271 PolarHBondContact O-N 3.41Å; M268-G271 VanDerWaalsContact O-N 3.11Å; M268-C274 WeakPolarHBondContact CG-SG 3.45Å
269A78.8Confident81.3Confident37 Ų3753.1 Ų53.131%0.30631%0.308SS..Hα-helixtrans-59.1-32.2176.200000112.6G241 S265 A266 L267G241-A269 VanDerWaalsContact C-CB 3.46Å; G241-A269 WeakPolarHBondContact O-CB 3.3Å; S265-A269 PolarHBondContact O-N 3.45Å; A266-A269 WeakPolarHBondContact O-CB 3.23Å; A266-A269 PolarHBondContact O-N 2.89Å; L267-A269 VanDerWaalsContact C-N 3.34Å
270L77.5Confident81.6Confident33 Ų3356.2 Ų56.217%0.17332%0.316CS..THydrogen-bonded Turntrans-97.12.8179.7-60.8173.9000113.5A266 L267 M268 L272 L285 L293A266-L270 PolarHBondContact O-N 2.87Å; L267-L270 PolarHBondContact O-N 3.46Å; M268-L270 PolarHBondContact O-N 3.04Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 HydrophobicContact CB-CD1 3.77Å; L270-L272 HydrophobicContact CB-CG 4.07Å; L270-L272 HydrophobicContact CD1-CD1 4.1Å; L270-L272 PolarHBondContact O-N 2.98Å; L270-L285 HydrophobicContact CD1-CD1 3.67Å; L270-L293 HydrophobicContact CD2-CD2 4.29Å
271G76.1Confident81.9Confident38 Ų3854.7 Ų54.739%0.39230%0.304SS..THydrogen-bonded Turntrans70.319.6-179.400000115.1L267 M268 A302L267-G271 PolarHBondContact O-N 3.47Å; M268-G271 PolarHBondContact O-N 3.41Å; M268-G271 VanDerWaalsContact O-N 3.11Å; G271-A302 PolarHBondContact O-N 3.25Å
272L83.3Confident82.3Confident4 Ų448.2 Ų48.22%0.02127%0.27CS..BIsolated β-bridgetrans-91157.7-175.5-64.3163.9000112.3L267 L270 C274 T288 L300 F301L267-L272 HydrophobicContact CB-CB 4.41Å; L267-L272 HydrophobicContact CD2-CB 3.85Å; L267-L272 HydrophobicContact CD2-CD1 3.82Å; L267-L272 PolarHBondContact O-N 2.73Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 HydrophobicContact CB-CD1 3.77Å; L270-L272 HydrophobicContact CB-CG 4.07Å; L270-L272 HydrophobicContact CD1-CD1 4.1Å; L270-L272 PolarHBondContact O-N 2.98Å; L272-C274 PolarHBondContact O-N 3.38Å; L272-C274 PolarHBondContact O-SG 3Å; L272-T288 HydrophobicContact CD1-CG2 3.65Å; L272-L300 HydrophobicContact CD2-CB 3.99Å; L272-F301 HydrophobicContact CD2-CD1 4.19Å; L272-F301 HydrophobicContact CD2-CE1 4.2Å; L272-F301 HydrophobicContact CD2-CG 4.48Å
273K84.7Confident82.6Confident92 Ų9247 Ų4740%0.427%0.269SS..  trans-60.3130.9175.1-72.3173.7178.7169.30111.2R284 S299 L300 F301 A302K273-R284 WeakPolarHBondContact O-CD 3.43Å; K273-R284 PolarHBondContact O-NH1 3.43Å; K273-S299 VanDerWaalsContact CE-O 3.24Å; K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 PolarHBondContact NZ-O 3.47Å; K273-L300 PolarHBondContact N-O 3.09Å; K273-F301 WeakPolarHBondContact CE-O 3.46Å; K273-A302 HydrophobicContact CG-CB 4.46Å
274C82.1Confident82.8Confident30 Ų3049.1 Ų49.120%0.20328%0.277CS..  trans-101.56.8-178.9-64.90000114.2K264 M268 L272 R281K264-C274 HydrophobicContact CG-CB 4.14Å; M268-C274 WeakPolarHBondContact CG-SG 3.45Å; L272-C274 PolarHBondContact O-N 3.38Å; L272-C274 PolarHBondContact O-SG 3Å; C274-R281 PolarHBondContact O-NE 3.38Å; C274-R281 PolarHBondContact O-NH1 3.33Å; C274-R281 PolarHBondContact O-NH2 2.83Å; C274-R281 VanDerWaalsContact O-NH2 3.16Å
275G77.8Confident83Confident45 Ų4544.7 Ų44.746%0.46426%0.258SS..  trans-81.7161.717700000112.9R284G275-R284 PolarHBondContact O-NH1 2.88Å; G275-R284 PolarHBondContact O-NH2 2.91Å
276G83.3Confident83.3Confident39 Ų3946 Ų4640%0.40226%0.26SS..SBendtrans106.3179.4179.300000114.5E280 R281G276-E280 WeakPolarHBondContact CA-OE2 3.35Å; G276-R281 PolarHBondContact O-NE 3.39Å; G276-R281 VanDerWaalsContact O-NE 3.1Å; G276-R281 PolarHBondContact O-NH2 2.87Å
277T85.9Confident83.5Confident74 Ų7448.1 Ų48.145%0.45428%0.275SS..  trans-68.3165.8176.867.70000111.3E279 E280 R281T277-E279 PolarHBondContact O-N 3.22Å; T277-E280 PolarHBondContact N-OE2 3.46Å; T277-E280 PolarHBondContact O-N 2.99Å; T277-E280 VanDerWaalsContact OG1-CG 3.29Å; T277-E280 WeakPolarHBondContact OG1-CG 3.32Å; T277-E280 PolarHBondContact OG1-N 2.92Å; T277-R281 WeakPolarHBondContact O-CG 3.32Å; T277-R281 PolarHBondContact O-N 2.82Å; T277-R281 VanDerWaalsContact O-N 3.1Å
278L85.6Confident83.5Confident60 Ų6048.8 Ų48.831%0.31428%0.278SS..Hα-helixtrans-58-39.4178.4177.2157.4000111.4A256 L260 L263 R281 A282A256-L278 HydrophobicContact CB-CD2 3.41Å; A256-L278 VanDerWaalsContact CB-CD2 3.41Å; A256-L278 WeakPolarHBondContact O-CD2 3.46Å; L260-L278 HydrophobicContact CD2-CB 4.02Å; L260-L278 HydrophobicContact CG-CB 4.22Å; L260-L278 HydrophobicContact CG-CD1 4.13Å; L260-L278 HydrophobicContact CG-CG 4.42Å; L263-L278 HydrophobicContact CD1-CG 4.25Å; L278-R281 PolarHBondContact O-N 3.4Å; L278-A282 PolarHBondContact O-N 3.39Å
279E85.9Confident83.6Confident111 Ų11148.8 Ų48.852%0.51928%0.277SS..Hα-helixtrans-66.4-46.3178.1-58.3177175.700111.8W252 T277 R281 A282 Q283W252-E279 HydrophobicContact CH2-CB 4.33Å; W252-E279 HydrophobicContact CH2-CG 4.39Å; W252-E279 HydrophobicContact CZ3-CB 3.71Å; W252-E279 HydrophobicContact CZ3-CG 3.88Å; T277-E279 PolarHBondContact O-N 3.22Å; E279-R281 VanDerWaalsContact C-N 3.26Å; E279-R281 PolarHBondContact O-N 2.75Å; E279-A282 PolarHBondContact O-N 3.35Å; E279-Q283 WeakPolarHBondContact O-CB 3.1Å; E279-Q283 WeakPolarHBondContact O-CG 3.46Å; E279-Q283 PolarHBondContact O-N 3.34Å
280E86.7Confident83.4Confident91 Ų9151.2 Ų51.243%0.42531%0.305SS..Hα-helixtrans-61.6-34.6177.7-72.1170.5173.500112.3G276 T277 R284G276-E280 WeakPolarHBondContact CA-OE2 3.35Å; T277-E280 PolarHBondContact N-OE2 3.46Å; T277-E280 PolarHBondContact O-N 2.99Å; T277-E280 VanDerWaalsContact OG1-CG 3.29Å; T277-E280 WeakPolarHBondContact OG1-CG 3.32Å; T277-E280 PolarHBondContact OG1-N 2.92Å; E280-R284 WeakPolarHBondContact O-CB 3.5Å; E280-R284 PolarHBondContact O-N 3.05Å
281R85.2Confident83.6Confident44 Ų4455.5 Ų55.517%0.16632%0.323CS..Hα-helixtrans-70.9-42.6175.4-69.5178.5-161.2-158.41.1111.7L263 L267 C274 G276 T277 L278 E279 R284 L285L263-R281 HydrophobicContact CB-CB 4.37Å; L263-R281 HydrophobicContact CD1-CB 4.41Å; L267-R281 HydrophobicContact CD1-CB 3.73Å; L267-R281 HydrophobicContact CD1-CG 3.94Å; C274-R281 PolarHBondContact O-NE 3.38Å; C274-R281 PolarHBondContact O-NH1 3.33Å; C274-R281 PolarHBondContact O-NH2 2.83Å; C274-R281 VanDerWaalsContact O-NH2 3.16Å; G276-R281 PolarHBondContact O-NE 3.39Å; G276-R281 VanDerWaalsContact O-NE 3.1Å; G276-R281 PolarHBondContact O-NH2 2.87Å; T277-R281 WeakPolarHBondContact O-CG 3.32Å; T277-R281 PolarHBondContact O-N 2.82Å; T277-R281 VanDerWaalsContact O-N 3.1Å; L278-R281 PolarHBondContact O-N 3.4Å; E279-R281 VanDerWaalsContact C-N 3.26Å; E279-R281 PolarHBondContact O-N 2.75Å; R281-R284 PolarHBondContact O-N 2.81Å; R281-L285 WeakPolarHBondContact O-CB 3.31Å; R281-L285 PolarHBondContact O-N 3.48Å
282A84.9Confident83.4Confident0 Ų057.1 Ų57.10%033%0.327CS..Hα-helixtrans-65-43.8177.300000111.7W252 L255 A256 L263 L278 E279 L285 F286W252-A282 HydrophobicContact CE3-CB 4.35Å; W252-A282 WeakPolarHBondContact O-CB 3.44Å; L255-A282 HydrophobicContact CB-CB 4.13Å; A256-A282 HydrophobicContact CB-CB 4.07Å; L263-A282 HydrophobicContact CD1-CB 4Å; L263-A282 HydrophobicContact CD2-CB 4.29Å; L278-A282 PolarHBondContact O-N 3.39Å; E279-A282 PolarHBondContact O-N 3.35Å; A282-L285 PolarHBondContact O-N 3.16Å; A282-F286 VanDerWaalsContact O-CB 3.31Å; A282-F286 WeakPolarHBondContact O-CB 3.44Å; A282-F286 PolarHBondContact O-N 3.3Å
283Q87.7Confident82.6Confident90 Ų9061.2 Ų61.242%0.42135%0.349SS..Hα-helixtrans-62.8-42.4175.1-71.4174.44.300112W252 E279 F286 S287W252-Q283 HydrophobicContact CB-CG 4.16Å; W252-Q283 HydrophobicContact CD2-CG 3.51Å; W252-Q283 HydrophobicContact CE3-CG 3.74Å; W252-Q283 HydrophobicContact CG-CG 3.69Å; W252-Q283 HydrophobicContact CZ3-CG 4.42Å; E279-Q283 WeakPolarHBondContact O-CB 3.1Å; E279-Q283 WeakPolarHBondContact O-CG 3.46Å; E279-Q283 PolarHBondContact O-N 3.34Å; Q283-F286 PolarHBondContact O-N 2.99Å; Q283-S287 WeakPolarHBondContact O-CB 3.43Å; Q283-S287 PolarHBondContact O-N 3.28Å
284R87.3Confident82Confident44 Ų4465.8 Ų65.817%0.16637%0.372CS..Hα-helixtrans-63.2-43.6176.7-169.6179.2-54.6121.311.7111.9L267 K273 G275 E280 R281 S287 L300L267-R284 HydrophobicContact CD2-CB 4.29Å; L267-R284 HydrophobicContact CD2-CG 4.13Å; K273-R284 WeakPolarHBondContact O-CD 3.43Å; K273-R284 PolarHBondContact O-NH1 3.43Å; G275-R284 PolarHBondContact O-NH1 2.88Å; G275-R284 PolarHBondContact O-NH2 2.91Å; E280-R284 WeakPolarHBondContact O-CB 3.5Å; E280-R284 PolarHBondContact O-N 3.05Å; R281-R284 PolarHBondContact O-N 2.81Å; R284-S287 PolarHBondContact O-N 3.26Å; R284-S287 PolarHBondContact O-OG 2.92Å; R284-L300 HydrophobicContact CG-CD2 4.48Å
285L85.8Confident81.6Confident1 Ų167.8 Ų67.81%0.00539%0.386CS..Hα-helixtrans-67.7-40.5176.2-173.364.8000111.6L244 L246 L263 A266 L267 L270 R281 A282 S287 T288L244-L285 HydrophobicContact CD2-CD2 3.89Å; L246-L285 HydrophobicContact CD1-CG 4.44Å; L246-L285 VanDerWaalsContact CD1-O 3.23Å; L246-L285 WeakPolarHBondContact CD1-O 3.42Å; L246-L285 HydrophobicContact CD2-CD1 4.5Å; L246-L285 HydrophobicContact CD2-CD2 4.13Å; L246-L285 HydrophobicContact CD2-CG 3.91Å; L263-L285 HydrophobicContact CD2-CD2 3.7Å; A266-L285 HydrophobicContact CB-CD1 3.89Å; A266-L285 HydrophobicContact CB-CD2 3.58Å; A266-L285 HydrophobicContact CB-CG 4.41Å; L267-L285 HydrophobicContact CD2-CB 3.88Å; L267-L285 HydrophobicContact CD2-CD1 4.08Å; L267-L285 HydrophobicContact CG-CB 4.29Å; L267-L285 HydrophobicContact CG-CD1 4.35Å; L270-L285 HydrophobicContact CD1-CD1 3.67Å; R281-L285 WeakPolarHBondContact O-CB 3.31Å; R281-L285 PolarHBondContact O-N 3.48Å; A282-L285 PolarHBondContact O-N 3.16Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 2.94Å; L285-T288 PolarHBondContact O-N 2.89Å; L285-T288 PolarHBondContact O-OG1 3.37Å
286F86.6Confident81.5Confident58 Ų5866.3 Ų66.325%0.25437%0.367SS..Hα-helixtrans-66.1-32.8177.2-167.1-106.5000112.4W252 L255 A282 Q283 T288 K289W252-F286 HydrophobicContact CB-CB 3.92Å; W252-F286 HydrophobicContact CB-CD1 4.39Å; W252-F286 HydrophobicContact CB-CG 4.11Å; L255-F286 HydrophobicContact CD1-CB 3.81Å; L255-F286 HydrophobicContact CD1-CD2 3.69Å; L255-F286 HydrophobicContact CD1-CG 4.22Å; A282-F286 VanDerWaalsContact O-CB 3.31Å; A282-F286 WeakPolarHBondContact O-CB 3.44Å; A282-F286 PolarHBondContact O-N 3.3Å; Q283-F286 PolarHBondContact O-N 2.99Å; F286-T288 PolarHBondContact O-N 3.01Å; F286-T288 VanDerWaalsContact O-N 3.07Å; F286-K289 HydrophobicContact CD2-CD 4.39Å; F286-K289 HydrophobicContact CE2-CD 3.87Å; F286-K289 HydrophobicContact CZ-CD 4.33Å; F286-K289 WeakPolarHBondContact O-CB 3.34Å; F286-K289 PolarHBondContact O-N 2.75Å
287S85.4Confident81.1Confident45 Ų4568.6 Ų68.632%0.31537%0.371SS..THydrogen-bonded Turntrans-62.2-16.4178.778.80000114.2Q283 R284 L285Q283-S287 WeakPolarHBondContact O-CB 3.43Å; Q283-S287 PolarHBondContact O-N 3.28Å; R284-S287 PolarHBondContact O-N 3.26Å; R284-S287 PolarHBondContact O-OG 2.92Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 2.94Å
288T83.3Confident80.7Confident13 Ų1370.3 Ų70.38%0.0838%0.383CS..THydrogen-bonded Turntrans-91.1-3.9175.669.50000113.4L272 L285 F286 G290 K291 L296L272-T288 HydrophobicContact CD1-CG2 3.65Å; L285-T288 PolarHBondContact O-N 2.89Å; L285-T288 PolarHBondContact O-OG1 3.37Å; F286-T288 PolarHBondContact O-N 3.01Å; F286-T288 VanDerWaalsContact O-N 3.07Å; T288-G290 PolarHBondContact O-N 2.84Å; T288-K291 PolarHBondContact O-N 3.24Å; T288-L296 HydrophobicContact CG2-CD1 3.5Å; T288-L296 HydrophobicContact CG2-CD2 4.02Å; T288-L296 HydrophobicContact CG2-CG 4.44Å
289K82Confident80.3Confident76 Ų7670.3 Ų70.333%0.3339%0.388SS..THydrogen-bonded Turntrans-63.6120.2177.9-172.6176.7-179.6171.10110.3L246 S247 F249 F286 K291L246-K289 HydrophobicContact CB-CB 4.2Å; L246-K289 HydrophobicContact CB-CD 4.3Å; L246-K289 HydrophobicContact CB-CG 4.03Å; L246-K289 HydrophobicContact CD1-CB 4.24Å; L246-K289 WeakPolarHBondContact O-CD 3.44Å; L246-K289 WeakPolarHBondContact O-CE 3.4Å; L246-K289 PolarHBondContact O-NZ 2.87Å; S247-K289 PolarHBondContact O-NZ 3.35Å; F249-K289 PolarHBondContact O-NZ 2.76Å; F286-K289 HydrophobicContact CD2-CD 4.39Å; F286-K289 HydrophobicContact CE2-CD 3.87Å; F286-K289 HydrophobicContact CZ-CD 4.33Å; F286-K289 WeakPolarHBondContact O-CB 3.34Å; F286-K289 PolarHBondContact O-N 2.75Å; K289-K291 VanDerWaalsContact C-N 3.27Å; K289-K291 PolarHBondContact O-N 2.55Å
290G74.3Confident79.8Confident88 Ų8867.2 Ų67.291%0.90738%0.375SS*.THydrogen-bonded Turntrans74.49.6176.800000115.4T288T288-G290 PolarHBondContact O-N 2.84Å
291K81.3Confident79.5Confident123 Ų12365.7 Ų65.754%0.53537%0.367SS..  trans-111.8140.9176.2-68.6-173.9-175.6174.80110.5T288 K289 L296T288-K291 PolarHBondContact O-N 3.24Å; K289-K291 VanDerWaalsContact C-N 3.27Å; K289-K291 PolarHBondContact O-N 2.55Å; K291-L296 HydrophobicContact CB-CD2 4.1Å; K291-L296 HydrophobicContact CD-CD2 4.05Å
292S72.3Confident79Confident71 Ų7165.9 Ų65.950%0.49738%0.377SS..  trans-71147.7169.8630000109.9E294 S295S292-E294 PolarHBondContact O-N 2.98Å; S292-E294 VanDerWaalsContact O-N 3.1Å; S292-S295 PolarHBondContact N-OG 3.36Å; S292-S295 PolarHBondContact O-N 3.21Å; S292-S295 PolarHBondContact O-OG 3.32Å
293L67.3Low77.9Confident91 Ų9175.1 Ų75.148%0.47642%0.418SS..G310 helixtrans-57-28.2-178.5-72168.6000113L270 S295 L296 F301L270-L293 HydrophobicContact CD2-CD2 4.29Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 3.22Å; L293-L296 HydrophobicContact CD2-CD1 4.01Å; L293-F301 HydrophobicContact CD2-CE1 4.48Å; L293-F301 WeakPolarHBondContact O-CZ 3.24Å
294E70.7Confident76.1Confident188 Ų18876.7 Ų76.788%0.87943%0.429SS*.G310 helixtrans-73-21.2178.2-63.6168.2-17800113.6S292S292-E294 PolarHBondContact O-N 2.98Å; S292-E294 VanDerWaalsContact O-N 3.1Å
295S73.8Confident74.1Confident72 Ų7280.4 Ų80.450%0.50346%0.459SS..G310 helixtrans-91.1-1-179.669.90000113.8S292 L293S292-S295 PolarHBondContact N-OG 3.36Å; S292-S295 PolarHBondContact O-N 3.21Å; S292-S295 PolarHBondContact O-OG 3.32Å; L293-S295 VanDerWaalsContact C-N 3.32Å; L293-S295 PolarHBondContact O-N 3.22Å
296L77.1Confident72.3Confident13 Ų1387.2 Ų87.27%0.06849%0.488CS..SBendtrans-85.6147.9179.6-61.9176.4000110.9T288 K291 L293 P298 F301T288-L296 HydrophobicContact CG2-CD1 3.5Å; T288-L296 HydrophobicContact CG2-CD2 4.02Å; T288-L296 HydrophobicContact CG2-CG 4.44Å; K291-L296 HydrophobicContact CB-CD2 4.1Å; K291-L296 HydrophobicContact CD-CD2 4.05Å; L293-L296 HydrophobicContact CD2-CD1 4.01Å; L296-P298 WeakPolarHBondContact O-CD 3.17Å; L296-F301 HydrophobicContact CB-CE2 3.88Å; L296-F301 HydrophobicContact CB-CZ 4.12Å; L296-F301 HydrophobicContact CD1-CZ 4.15Å
297D75Confident70.1Confident88 Ų8889.5 Ų89.547%0.47151%0.512SS..  trans-59.2122.1176.5177.6-1.7000110.3S299 L300D297-S299 PolarHBondContact O-N 3Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.31Å; D297-S299 PolarHBondContact OD1-N 3.48Å; D297-S299 PolarHBondContact OD1-OG 3.06Å; D297-S299 PolarHBondContact OD2-OG 3.27Å; D297-L300 HydrophobicContact CB-CD1 4.12Å; D297-L300 HydrophobicContact CB-CG 4.18Å; D297-L300 WeakPolarHBondContact O-CB 3.5Å; D297-L300 PolarHBondContact O-N 3.18Å
298P76.4Confident67.8Low109 Ų10997.3 Ų97.371%0.70854%0.54SS*.G310 helixtrans-50.5-23.8175-29.136.5000114.6L296 L300L296-P298 WeakPolarHBondContact O-CD 3.17Å; P298-L300 VanDerWaalsContact C-N 3.28Å; P298-L300 PolarHBondContact O-N 3.29Å
299S76.8Confident65.9Low60 Ų6098.2 Ų98.242%0.4255%0.552SS.*G310 helixtrans-68.6-21.4177.487.20000114.1K273 D297K273-S299 VanDerWaalsContact CE-O 3.24Å; K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 PolarHBondContact NZ-O 3.47Å; D297-S299 PolarHBondContact O-N 3Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.31Å; D297-S299 PolarHBondContact OD1-N 3.48Å; D297-S299 PolarHBondContact OD1-OG 3.06Å; D297-S299 PolarHBondContact OD2-OG 3.27Å
300L75.8Confident64.5Low47 Ų4797 Ų9725%0.24655%0.552CS.*G310 helixtrans-82.7-21.4-177.8-64174.3000113L272 K273 R284 D297 P298L272-L300 HydrophobicContact CD2-CB 3.99Å; K273-L300 PolarHBondContact N-O 3.09Å; R284-L300 HydrophobicContact CG-CD2 4.48Å; D297-L300 HydrophobicContact CB-CD1 4.12Å; D297-L300 HydrophobicContact CB-CG 4.18Å; D297-L300 WeakPolarHBondContact O-CB 3.5Å; D297-L300 PolarHBondContact O-N 3.18Å; P298-L300 VanDerWaalsContact C-N 3.28Å; P298-L300 PolarHBondContact O-N 3.29Å
301F80.3Confident63.4Low59 Ų59101.2 Ų101.226%0.25955%0.545SS..BIsolated β-bridgetrans-72.3142.5177.2-69.1-84.5000111.3L272 K273 L293 L296 K303L272-F301 HydrophobicContact CD2-CD1 4.19Å; L272-F301 HydrophobicContact CD2-CE1 4.2Å; L272-F301 HydrophobicContact CD2-CG 4.48Å; K273-F301 WeakPolarHBondContact CE-O 3.46Å; L293-F301 HydrophobicContact CD2-CE1 4.48Å; L293-F301 WeakPolarHBondContact O-CZ 3.24Å; L296-F301 HydrophobicContact CB-CE2 3.88Å; L296-F301 HydrophobicContact CB-CZ 4.12Å; L296-F301 HydrophobicContact CD1-CZ 4.15Å; F301-K303 PolarHBondContact O-N 3.4Å
302A75.8Confident62.5Low47 Ų47103.2 Ų103.239%0.38855%0.554SS.*  trans-64.9127.3172.300000108.4G271 K273 N304G271-A302 PolarHBondContact O-N 3.25Å; K273-A302 HydrophobicContact CG-CB 4.46Å; A302-N304 PolarHBondContact O-N 2.85Å
303K61.3Low62.3Low195 Ų195103.3 Ų103.385%0.84855%0.549SS*.  trans-62.6110.3170.5-73.7-172.4178.6-179.30107.1F301 P305F301-K303 PolarHBondContact O-N 3.4Å; K303-P305 WeakPolarHBondContact O-CD 3.35Å
304N50Low62.7Low123 Ų123103 Ų10366%0.65855%0.551SS**  trans-60.5123.7168.6-98.4-13.8000107.7A302 K306A302-N304 PolarHBondContact O-N 2.85Å; N304-K306 PolarHBondContact O-N 3.33Å
305P45.7Very low63.3Low122 Ų122100 Ų10079%0.79254%0.537SS*.G310 helixtrans-59-11172.1-17.528.7000112.6K303 S307K303-P305 WeakPolarHBondContact O-CD 3.35Å; P305-S307 PolarHBondContact O-N 3.11Å
306K46.9Very low63.8Low143 Ų143101.4 Ų101.462%0.62253%0.531SS*.G310 helixtrans-86.612.8-171.6-64.7-159.7177.1-170.80116N304 P310N304-K306 PolarHBondContact O-N 3.33Å; K306-P310 HydrophobicContact CB-CG 4.12Å; K306-P310 WeakPolarHBondContact O-CD 3.38Å; K306-P310 WeakPolarHBondContact O-CG 3.48Å
307S40Very low64.2Low106 Ų106101.9 Ų101.974%0.74153%0.534SS*.G310 helixtrans-95.1-13.2-178.281.10000116.5P305P305-S307 PolarHBondContact O-N 3.11Å
308K37.4Very low64.9Low209 Ų209101.6 Ų101.691%0.90953%0.528SS*.SBendtrans-125.2-10.4178.3-75-169.5175.8-1750116.4
309G43.8Very low65.6Low33 Ų33100.5 Ų100.534%0.3451%0.514SS..SBendtrans-107.5-35.1-177.800000118.1K311 K312 D313G309-K311 PolarHBondContact O-N 3.45Å; G309-K312 PolarHBondContact O-N 3.35Å; G309-D313 PolarHBondContact O-N 3.38Å
310P51.7Low66.3Low49 Ų4997.7 Ų97.732%0.31849%0.494SS..Hα-helixtrans-76.5-27.4-160.827.8-33.8000114.4K306 D313 T314K306-P310 HydrophobicContact CB-CG 4.12Å; K306-P310 WeakPolarHBondContact O-CD 3.38Å; K306-P310 WeakPolarHBondContact O-CG 3.48Å; P310-D313 PolarHBondContact O-N 3.29Å; P310-T314 WeakPolarHBondContact O-CB 3.36Å; P310-T314 VanDerWaalsContact O-CG2 3.29Å; P310-T314 WeakPolarHBondContact O-CG2 3.46Å; P310-T314 PolarHBondContact O-N 3.45Å; P310-T314 PolarHBondContact O-OG1 3.34Å
311K53.1Low67.1Low177 Ų17795.4 Ų95.477%0.7748%0.482SS*.Hα-helixtrans-62.9-43.8177.8-82.8-169.5173.8-172.70112G309 T314 E315G309-K311 PolarHBondContact O-N 3.45Å; K311-T314 WeakPolarHBondContact CA-OG1 3.27Å; K311-T314 PolarHBondContact O-N 3.45Å; K311-T314 PolarHBondContact O-OG1 3.18Å; K311-E315 VanDerWaalsContact O-CB 3.3Å; K311-E315 WeakPolarHBondContact O-CB 3.39Å; K311-E315 PolarHBondContact O-N 2.59Å
312K60.9Low67.7Low165 Ų16594 Ų9472%0.71748%0.476SS*.Hα-helixtrans-69.3-38179.9-169.9175.6-179.6177.90111.8G309 R316G309-K312 PolarHBondContact O-N 3.35Å; K312-R316 VanDerWaalsContact O-CB 3.27Å; K312-R316 WeakPolarHBondContact O-CB 3.46Å; K312-R316 PolarHBondContact O-N 3.06Å
313D68.4Low68.6Low73 Ų7392.9 Ų92.939%0.3946%0.463SS..Hα-helixtrans-71.9-36176-71.7-34.8000112.2G309 P310 R316 N317G309-D313 PolarHBondContact O-N 3.38Å; P310-D313 PolarHBondContact O-N 3.29Å; D313-R316 IonicContact OD1-CZ 3.75Å; D313-R316 IonicContact OD1-NH1 2.78Å; D313-R316 PolarHBondContact OD1-NH1 3.42Å; D313-N317 WeakPolarHBondContact O-CB 3.2Å; D313-N317 PolarHBondContact O-N 3.3Å; D313-N317 PolarHBondContact O-ND2 3.02Å; D313-N317 VanDerWaalsContact O-ND2 3.17Å; D313-N317 PolarHBondContact O-OD1 3.15Å
314T76.8Confident70.1Confident84 Ų8483.6 Ų83.652%0.51542%0.423SS..Hα-helixtrans-67.3-37.4173.748.80000112.4P310 K311 K318P310-T314 WeakPolarHBondContact O-CB 3.36Å; P310-T314 VanDerWaalsContact O-CG2 3.29Å; P310-T314 WeakPolarHBondContact O-CG2 3.46Å; P310-T314 PolarHBondContact O-N 3.45Å; P310-T314 PolarHBondContact O-OG1 3.34Å; K311-T314 WeakPolarHBondContact CA-OG1 3.27Å; K311-T314 PolarHBondContact O-N 3.45Å; K311-T314 PolarHBondContact O-OG1 3.18Å; T314-K318 WeakPolarHBondContact O-CB 3.46Å; T314-K318 PolarHBondContact O-N 2.97Å
315E82.5Confident72.2Confident125 Ų12578.1 Ų78.158%0.58439%0.394SS*.Hα-helixtrans-70.6-46.4177.5-168.3161.2-152.900110.8K311 N317 K318 E319K311-E315 VanDerWaalsContact O-CB 3.3Å; K311-E315 WeakPolarHBondContact O-CB 3.39Å; K311-E315 PolarHBondContact O-N 2.59Å; E315-N317 VanDerWaalsContact C-N 3.29Å; E315-N317 PolarHBondContact O-N 3.34Å; E315-K318 WeakPolarHBondContact O-CB 3.35Å; E315-K318 PolarHBondContact O-N 3.03Å; E315-K318 VanDerWaalsContact O-N 3.1Å; E315-E319 WeakPolarHBondContact O-CG 3.37Å; E315-E319 PolarHBondContact O-N 3.23Å
316R84Confident74.6Confident102 Ų10272.7 Ų72.739%0.38536%0.358SS..Hα-helixtrans-56.3-43172-170.1-172.286-1619.6112.4K312 D313 E319 I320K312-R316 VanDerWaalsContact O-CB 3.27Å; K312-R316 WeakPolarHBondContact O-CB 3.46Å; K312-R316 PolarHBondContact O-N 3.06Å; D313-R316 IonicContact OD1-CZ 3.75Å; D313-R316 IonicContact OD1-NH1 2.78Å; D313-R316 PolarHBondContact OD1-NH1 3.42Å; R316-E319 WeakPolarHBondContact O-CB 3.35Å; R316-E319 PolarHBondContact O-N 3.36Å; R316-I320 HydrophobicContact CG-CD1 4.41Å; R316-I320 WeakPolarHBondContact O-CG1 3.49Å; R316-I320 PolarHBondContact O-N 2.88Å
317N86.3Confident76.9Confident23 Ų2365.9 Ų65.912%0.12333%0.329CS..Hα-helixtrans-68-37.5178.5-72.9-11.4000111.7W229 D313 E315 I320 A321W229-N317 HydrophobicContact CE3-CB 4.12Å; W229-N317 HydrophobicContact CH2-CB 3.64Å; W229-N317 HydrophobicContact CZ3-CB 3.37Å; D313-N317 WeakPolarHBondContact O-CB 3.2Å; D313-N317 PolarHBondContact O-N 3.3Å; D313-N317 PolarHBondContact O-ND2 3.02Å; D313-N317 VanDerWaalsContact O-ND2 3.17Å; D313-N317 PolarHBondContact O-OD1 3.15Å; E315-N317 VanDerWaalsContact C-N 3.29Å; E315-N317 PolarHBondContact O-N 3.34Å; N317-I320 PolarHBondContact O-N 3.39Å; N317-A321 VanDerWaalsContact O-CB 3.31Å; N317-A321 WeakPolarHBondContact O-CB 3.44Å; N317-A321 PolarHBondContact O-N 3.31Å
318K89.3Confident79.4Confident83 Ų8362.9 Ų62.936%0.36130%0.301SS..Hα-helixtrans-63.6-41.7174-170.8-178.6-179.5-171.10111.1F217 W221 T314 E315 A321 F322F217-K318 HydrophobicContact CE1-CG 4.04Å; F217-K318 HydrophobicContact CZ-CG 4.06Å; W221-K318 HydrophobicContact CD2-CG 4.35Å; W221-K318 HydrophobicContact CH2-CB 4.41Å; W221-K318 HydrophobicContact CZ2-CB 3.83Å; W221-K318 HydrophobicContact CZ2-CG 4.06Å; T314-K318 WeakPolarHBondContact O-CB 3.46Å; T314-K318 PolarHBondContact O-N 2.97Å; E315-K318 WeakPolarHBondContact O-CB 3.35Å; E315-K318 PolarHBondContact O-N 3.03Å; E315-K318 VanDerWaalsContact O-N 3.1Å; K318-A321 PolarHBondContact O-N 3.44Å; K318-F322 WeakPolarHBondContact O-CB 3.21Å; K318-F322 PolarHBondContact O-N 3.35Å
319E91.3Very high82.1Confident86 Ų8655.2 Ų55.240%0.40227%0.269SS..Hα-helixtrans-59.7-48.3174.6-70.8171.2-165.700111.8K183 E315 R316 F322 L323K183-E319 IonicContact NZ-OE2 2.98Å; K183-E319 PolarHBondContact NZ-OE2 3.43Å; E315-E319 WeakPolarHBondContact O-CG 3.37Å; E315-E319 PolarHBondContact O-N 3.23Å; R316-E319 WeakPolarHBondContact O-CB 3.35Å; R316-E319 PolarHBondContact O-N 3.36Å; E319-F322 PolarHBondContact O-N 3.41Å; E319-L323 WeakPolarHBondContact O-CG 3.28Å; E319-L323 PolarHBondContact O-N 3.27Å
320I91.5Very high84.5Confident0 Ų053.8 Ų53.80%025%0.253CS..Hα-helixtrans-63.1-45178.3-64.5170000110.5K178 Y182 K183 L186 W229 R316 N317 F322 L323 E324K178-I320 HydrophobicContact CD-CG2 4.4Å; Y182-I320 HydrophobicContact CD1-CG2 4.25Å; Y182-I320 HydrophobicContact CE1-CG2 3.98Å; K183-I320 HydrophobicContact CB-CD1 4.36Å; K183-I320 HydrophobicContact CB-CG1 4.17Å; K183-I320 HydrophobicContact CD-CG1 4.18Å; K183-I320 HydrophobicContact CG-CG1 4.05Å; L186-I320 HydrophobicContact CD1-CG2 3.91Å; W229-I320 HydrophobicContact CH2-CB 4.46Å; W229-I320 HydrophobicContact CZ2-CB 3.94Å; W229-I320 HydrophobicContact CZ2-CG2 3.75Å; R316-I320 HydrophobicContact CG-CD1 4.41Å; R316-I320 WeakPolarHBondContact O-CG1 3.49Å; R316-I320 PolarHBondContact O-N 2.88Å; N317-I320 PolarHBondContact O-N 3.39Å; I320-F322 PolarHBondContact O-N 2.85Å; I320-L323 WeakPolarHBondContact O-CB 3.46Å; I320-L323 PolarHBondContact O-N 3.49Å; I320-E324 WeakPolarHBondContact O-CG 3.4Å; I320-E324 PolarHBondContact O-N 3.11Å
321A91.7Very high86.5Confident0 Ų051.6 Ų51.60%024%0.239CC..Hα-helixtrans-59.8-36.217700000112.3F217 W221 F226 W229 N317 K318 E324 S325F217-A321 HydrophobicContact CE2-CB 3.83Å; F217-A321 HydrophobicContact CZ-CB 3.98Å; W221-A321 HydrophobicContact CE3-CB 4.07Å; W221-A321 HydrophobicContact CH2-CB 4.15Å; W221-A321 HydrophobicContact CZ3-CB 3.49Å; W221-A321 VanDerWaalsContact CZ3-CB 3.49Å; F226-A321 HydrophobicContact CD1-CB 4.06Å; F226-A321 HydrophobicContact CE1-CB 3.84Å; F226-A321 WeakPolarHBondContact CE1-O 3.45Å; F226-A321 WeakPolarHBondContact CZ-O 3.22Å; W229-A321 HydrophobicContact CD2-CB 4.17Å; W229-A321 HydrophobicContact CG-CB 4.05Å; W229-A321 HydrophobicContact CZ2-CB 4.46Å; N317-A321 VanDerWaalsContact O-CB 3.31Å; N317-A321 WeakPolarHBondContact O-CB 3.44Å; N317-A321 PolarHBondContact O-N 3.31Å; K318-A321 PolarHBondContact O-N 3.44Å; A321-E324 PolarHBondContact O-N 3.12Å; A321-S325 PolarHBondContact O-N 3.31Å
322F93.8Very high88.4Confident30 Ų3050.2 Ų50.213%0.13224%0.235CC..Hα-helixtrans-71.7-34.4176.6-176.8-119.6000113Y210 I213 L214 F217 K318 E319 I320 S325 Q326Y210-F322 HydrophobicContact CD2-CZ 4.5Å; Y210-F322 AromaticContact CE2-CE1 3.88Å; Y210-F322 HydrophobicContact CE2-CE1 3.88Å; Y210-F322 AromaticContact CE2-CZ 3.66Å; Y210-F322 HydrophobicContact CE2-CZ 3.66Å; Y210-F322 AromaticContact CZ-CE1 3.96Å; Y210-F322 AromaticContact CZ-CZ 3.74Å; Y210-F322 WeakPolarHBondContact OH-CE1 3.31Å; I213-F322 HydrophobicContact CG2-CE2 4.27Å; L214-F322 HydrophobicContact CB-CE2 4.27Å; L214-F322 HydrophobicContact CB-CZ 4.4Å; L214-F322 HydrophobicContact CD1-CE2 3.86Å; L214-F322 HydrophobicContact CD1-CZ 4.03Å; F217-F322 HydrophobicContact CB-CD2 4.13Å; F217-F322 HydrophobicContact CB-CE2 4.43Å; F217-F322 HydrophobicContact CD1-CB 4.28Å; F217-F322 AromaticContact CD1-CD2 3.56Å; F217-F322 HydrophobicContact CD1-CD2 3.56Å; F217-F322 HydrophobicContact CD1-CE2 4.36Å; F217-F322 HydrophobicContact CD1-CG 4.28Å; F217-F322 HydrophobicContact CD2-CD2 4.35Å; F217-F322 HydrophobicContact CE1-CB 3.84Å; F217-F322 HydrophobicContact CE1-CD2 4.01Å; F217-F322 HydrophobicContact CE1-CG 4.28Å; F217-F322 HydrophobicContact CE2-CB 4.32Å; F217-F322 AromaticContact CG-CD2 3.75Å; F217-F322 HydrophobicContact CG-CD2 3.75Å; F217-F322 HydrophobicContact CG-CE2 4.49Å; F217-F322 HydrophobicContact CZ-CB 3.87Å; K318-F322 WeakPolarHBondContact O-CB 3.21Å; K318-F322 PolarHBondContact O-N 3.35Å; E319-F322 PolarHBondContact O-N 3.41Å; I320-F322 PolarHBondContact O-N 2.85Å; F322-S325 WeakPolarHBondContact CA-OG 3.33Å; F322-S325 WeakPolarHBondContact CD2-OG 3.47Å; F322-S325 PolarHBondContact O-N 2.92Å; F322-S325 PolarHBondContact O-OG 3Å; F322-Q326 HydrophobicContact CE2-CG 4.36Å; F322-Q326 HydrophobicContact CZ-CG 4.24Å; F322-Q326 WeakPolarHBondContact O-CG 3.48Å; F322-Q326 PolarHBondContact O-N 2.89Å; F322-Q326 VanDerWaalsContact O-N 3.14Å; F322-Q326 PolarHBondContact O-NE2 2.99Å; F322-Q326 VanDerWaalsContact O-NE2 3.13Å
323L94.6Very high90Very high22 Ų2244.3 Ų44.312%0.11521%0.211CC..Hα-helixtrans-63.7-44.7170.1-67.9170.9000110.8K183 L186 E187 L190 E319 I320 S325 Q326 I327K183-L323 HydrophobicContact CG-CD1 3.92Å; L186-L323 HydrophobicContact CB-CB 4.4Å; L186-L323 HydrophobicContact CB-CD1 4.47Å; L186-L323 HydrophobicContact CD1-CB 4.38Å; E187-L323 HydrophobicContact CG-CD1 3.81Å; E187-L323 HydrophobicContact CG-CD2 4.41Å; L190-L323 HydrophobicContact CD2-CD2 3.57Å; E319-L323 WeakPolarHBondContact O-CG 3.28Å; E319-L323 PolarHBondContact O-N 3.27Å; I320-L323 WeakPolarHBondContact O-CB 3.46Å; I320-L323 PolarHBondContact O-N 3.49Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 3.41Å; L323-Q326 PolarHBondContact O-N 2.95Å; L323-I327 WeakPolarHBondContact O-CG1 3.5Å; L323-I327 PolarHBondContact O-N 3.43Å
324E93.5Very high91.3Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-60.6-41.1176.1-67.6177.9166.500111.7L170 K178 Y182 L186 F226 W229 I320 A321 Q326 I327 Y328L170-E324 HydrophobicContact CB-CG 4.24Å; L170-E324 HydrophobicContact CD1-CB 4.22Å; L170-E324 HydrophobicContact CD1-CG 3.97Å; K178-E324 WeakPolarHBondContact CD-OE1 3.28Å; K178-E324 WeakPolarHBondContact CE-OE1 3.25Å; K178-E324 IonicContact NZ-OE1 2.79Å; K178-E324 PolarHBondContact NZ-OE1 2.98Å; K178-E324 IonicContact NZ-OE2 2.85Å; K178-E324 PolarHBondContact NZ-OE2 2.89Å; Y182-E324 WeakPolarHBondContact CE1-OE1 3.32Å; Y182-E324 PolarHBondContact OH-OE1 3.09Å; L186-E324 HydrophobicContact CD1-CG 3.69Å; F226-E324 HydrophobicContact CZ-CB 4.47Å; W229-E324 PolarHBondContact NE1-OE2 3.39Å; I320-E324 WeakPolarHBondContact O-CG 3.4Å; I320-E324 PolarHBondContact O-N 3.11Å; A321-E324 PolarHBondContact O-N 3.12Å; E324-Q326 VanDerWaalsContact C-N 3.32Å; E324-Q326 PolarHBondContact O-N 2.94Å; E324-I327 PolarHBondContact O-N 3.08Å; E324-Y328 HydrophobicContact CB-CE2 4.19Å; E324-Y328 WeakPolarHBondContact O-CD2 3.49Å; E324-Y328 VanDerWaalsContact O-CG 3.26Å; E324-Y328 PolarHBondContact O-N 2.78Å
325S93.8Very high92.2Very high8 Ų838.1 Ų38.16%0.05618%0.18CC..Hα-helixtrans-62.4-39.9177.1670000112.6A321 F322 L323 E329A321-S325 PolarHBondContact O-N 3.31Å; F322-S325 WeakPolarHBondContact CA-OG 3.33Å; F322-S325 WeakPolarHBondContact CD2-OG 3.47Å; F322-S325 PolarHBondContact O-N 2.92Å; F322-S325 PolarHBondContact O-OG 3Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 3.41Å; S325-E329 VanDerWaalsContact O-CG 3.23Å; S325-E329 WeakPolarHBondContact O-CG 3.44Å; S325-E329 PolarHBondContact O-N 3.43Å
326Q94.6Very high92.7Very high9 Ų938.5 Ų38.54%0.04218%0.182CC..Hα-helixtrans-65.2-45.4176.7-72.1171.189.600110.8L190 I213 F322 L323 E324 Y328 E329 Y330L190-Q326 HydrophobicContact CD1-CB 3.63Å; L190-Q326 HydrophobicContact CD2-CB 3.96Å; L190-Q326 HydrophobicContact CG-CB 4.48Å; I213-Q326 HydrophobicContact CG2-CG 3.89Å; F322-Q326 HydrophobicContact CE2-CG 4.36Å; F322-Q326 HydrophobicContact CZ-CG 4.24Å; F322-Q326 WeakPolarHBondContact O-CG 3.48Å; F322-Q326 PolarHBondContact O-N 2.89Å; F322-Q326 VanDerWaalsContact O-N 3.14Å; F322-Q326 PolarHBondContact O-NE2 2.99Å; F322-Q326 VanDerWaalsContact O-NE2 3.13Å; L323-Q326 PolarHBondContact O-N 2.95Å; E324-Q326 VanDerWaalsContact C-N 3.32Å; E324-Q326 PolarHBondContact O-N 2.94Å; Q326-Y328 VanDerWaalsContact C-N 3.33Å; Q326-Y328 PolarHBondContact O-N 3.17Å; Q326-E329 PolarHBondContact O-N 3.36Å; Q326-Y330 HydrophobicContact CB-CD2 4.35Å; Q326-Y330 HydrophobicContact CB-CE2 4.25Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.46Å; Q326-Y330 PolarHBondContact O-N 2.76Å
327I95.1Very high93.1Very high0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-59.3-43.6179.3-68.2163.3000111.3L170 L186 L189 L190 L193 L323 E324 E329 Y330 V331L170-I327 HydrophobicContact CD1-CB 4.1Å; L170-I327 HydrophobicContact CD1-CD1 4.02Å; L170-I327 HydrophobicContact CD1-CG2 3.89Å; L186-I327 HydrophobicContact CB-CD1 4.04Å; L186-I327 HydrophobicContact CD2-CD1 3.54Å; L186-I327 HydrophobicContact CG-CD1 4.31Å; L189-I327 HydrophobicContact CD2-CD1 4.2Å; L189-I327 HydrophobicContact CD2-CG2 4.21Å; L189-I327 HydrophobicContact CG-CD1 4.47Å; L190-I327 HydrophobicContact CB-CD1 4.25Å; L190-I327 HydrophobicContact CB-CG1 3.92Å; L190-I327 HydrophobicContact CD1-CG1 3.96Å; L190-I327 HydrophobicContact CG-CG1 4.46Å; L193-I327 HydrophobicContact CD1-CG2 4.02Å; L323-I327 WeakPolarHBondContact O-CG1 3.5Å; L323-I327 PolarHBondContact O-N 3.43Å; E324-I327 PolarHBondContact O-N 3.08Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 3.37Å; I327-Y330 PolarHBondContact O-N 2.91Å; I327-V331 HydrophobicContact CG2-CG2 4.01Å; I327-V331 VanDerWaalsContact O-CB 3.32Å; I327-V331 WeakPolarHBondContact O-CB 3.1Å; I327-V331 WeakPolarHBondContact O-CG2 3.43Å; I327-V331 PolarHBondContact O-N 3.19Å
328Y93.8Very high93.5Very high43 Ų4336.8 Ų36.817%0.16918%0.175CC..Hα-helixtrans-57.1-43.3177.7-61.8-39.3000112.4D168 L170 F171 F226 E324 Q326 V331 E332D168-Y328 WeakPolarHBondContact O-CD1 3.48Å; D168-Y328 WeakPolarHBondContact O-CE1 3.23Å; L170-Y328 HydrophobicContact CB-CE1 3.81Å; L170-Y328 WeakPolarHBondContact CB-OH 3.28Å; L170-Y328 HydrophobicContact CD1-CE1 4.15Å; L170-Y328 HydrophobicContact CG-CE1 4.09Å; F171-Y328 HydrophobicContact CD1-CE1 4.26Å; F171-Y328 PolarHBondContact N-OH 2.91Å; F226-Y328 HydrophobicContact CZ-CD2 4.5Å; F226-Y328 HydrophobicContact CZ-CE2 4.08Å; E324-Y328 HydrophobicContact CB-CE2 4.19Å; E324-Y328 WeakPolarHBondContact O-CD2 3.49Å; E324-Y328 VanDerWaalsContact O-CG 3.26Å; E324-Y328 PolarHBondContact O-N 2.78Å; Q326-Y328 VanDerWaalsContact C-N 3.33Å; Q326-Y328 PolarHBondContact O-N 3.17Å; Y328-V331 PolarHBondContact O-N 2.92Å; Y328-E332 WeakPolarHBondContact O-CB 3.46Å; Y328-E332 PolarHBondContact O-N 2.88Å
329E93.7Very high93.7Very high48 Ų4837.2 Ų37.222%0.22418%0.178CC..Hα-helixtrans-71.5-43.2-177.3-62.4-79.1167.700111.3I213 S325 Q326 I327 V331 E332 I333I213-E329 HydrophobicContact CD1-CB 3.74Å; I213-E329 HydrophobicContact CD1-CG 4.14Å; I213-E329 HydrophobicContact CG1-CB 4.02Å; I213-E329 HydrophobicContact CG1-CG 3.9Å; I213-E329 HydrophobicContact CG2-CG 4.43Å; S325-E329 VanDerWaalsContact O-CG 3.23Å; S325-E329 WeakPolarHBondContact O-CG 3.44Å; S325-E329 PolarHBondContact O-N 3.43Å; Q326-E329 PolarHBondContact O-N 3.36Å; I327-E329 VanDerWaalsContact C-N 3.28Å; I327-E329 PolarHBondContact O-N 3.37Å; E329-V331 VanDerWaalsContact C-N 3.35Å; E329-V331 PolarHBondContact O-N 3.42Å; E329-E332 PolarHBondContact O-N 3.26Å; E329-I333 VanDerWaalsContact O-CG1 3.31Å; E329-I333 WeakPolarHBondContact O-CG1 3.39Å; E329-I333 PolarHBondContact O-N 3.48Å
330Y94.6Very high93.8Very high2 Ų235.4 Ų35.41%0.00817%0.171CC..Hα-helixtrans-64.8-39174.5-75.1-69.4000112.2L190 Q194 T197 Q206 L209 Q326 I327 E332 I333 L334L190-Y330 HydrophobicContact CD1-CD2 3.56Å; L190-Y330 HydrophobicContact CD1-CE2 3.78Å; Q194-Y330 HydrophobicContact CG-CD2 4.08Å; Q194-Y330 HydrophobicContact CG-CE1 4.03Å; Q194-Y330 HydrophobicContact CG-CE2 3.49Å; Q194-Y330 VanDerWaalsContact CG-CE2 3.49Å; Q194-Y330 VanDerWaalsContact CG-CZ 3.45Å; Q194-Y330 PolarHBondContact NE2-OH 3.21Å; T197-Y330 HydrophobicContact CG2-CD1 4.25Å; T197-Y330 HydrophobicContact CG2-CE1 4.39Å; Q206-Y330 PolarHBondContact OE1-OH 3.34Å; L209-Y330 HydrophobicContact CD2-CD1 4.31Å; L209-Y330 HydrophobicContact CD2-CE1 3.67Å; Q326-Y330 HydrophobicContact CB-CD2 4.35Å; Q326-Y330 HydrophobicContact CB-CE2 4.25Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.46Å; Q326-Y330 PolarHBondContact O-N 2.76Å; I327-Y330 PolarHBondContact O-N 2.91Å; Y330-E332 VanDerWaalsContact C-N 3.33Å; Y330-I333 PolarHBondContact O-N 2.92Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 WeakPolarHBondContact O-CG 3.34Å; Y330-L334 PolarHBondContact O-N 3.49Å
331V93.8Very high93.9Very high4 Ų435.7 Ų35.72%0.02417%0.172CC..Hα-helixtrans-66.9-35.9175.9171.30000111.5F167 D168 L193 I327 Y328 E329 L334 G335F167-V331 HydrophobicContact CE2-CG2 3.67Å; F167-V331 HydrophobicContact CZ-CG1 4.38Å; F167-V331 HydrophobicContact CZ-CG2 4.17Å; D168-V331 HydrophobicContact CB-CB 4.39Å; D168-V331 HydrophobicContact CB-CG1 3.72Å; D168-V331 HydrophobicContact CB-CG2 4.36Å; L193-V331 HydrophobicContact CD1-CG2 3.84Å; I327-V331 HydrophobicContact CG2-CG2 4.01Å; I327-V331 VanDerWaalsContact O-CB 3.32Å; I327-V331 WeakPolarHBondContact O-CB 3.1Å; I327-V331 WeakPolarHBondContact O-CG2 3.43Å; I327-V331 PolarHBondContact O-N 3.19Å; Y328-V331 PolarHBondContact O-N 2.92Å; E329-V331 VanDerWaalsContact C-N 3.35Å; E329-V331 PolarHBondContact O-N 3.42Å; V331-L334 CarbonylContact O-C 3.59Å; V331-L334 PolarHBondContact O-N 3.42Å; V331-G335 WeakPolarHBondContact O-CA 3.45Å; V331-G335 PolarHBondContact O-N 3.02Å
332E93.6Very high94Very high148 Ų14837 Ų3769%0.69218%0.179SC*.Hα-helixtrans-63.5-44.4173.2-174.6171.2172.600111.1Y328 E329 Y330 L334 G335Y328-E332 WeakPolarHBondContact O-CB 3.46Å; Y328-E332 PolarHBondContact O-N 2.88Å; E329-E332 PolarHBondContact O-N 3.26Å; Y330-E332 VanDerWaalsContact C-N 3.33Å; E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.36Å; E332-G335 PolarHBondContact O-N 3.08Å
333I94.6Very high93.9Very high41 Ų4139.6 Ų39.621%0.2119%0.191CC..Hα-helixtrans-61.3-35.7175.2-68.6163.9000111.8T197 K201 L204 L209 E329 Y330T197-I333 HydrophobicContact CG2-CG2 4.22Å; K201-I333 HydrophobicContact CD-CG2 3.95Å; K201-I333 PolarHBondContact NZ-O 3.46Å; L204-I333 HydrophobicContact CD2-CD1 4.22Å; L204-I333 HydrophobicContact CD2-CG2 4.3Å; L209-I333 HydrophobicContact CD1-CD1 3.91Å; L209-I333 HydrophobicContact CD2-CD1 3.53Å; L209-I333 HydrophobicContact CG-CD1 4.39Å; E329-I333 VanDerWaalsContact O-CG1 3.31Å; E329-I333 WeakPolarHBondContact O-CG1 3.39Å; E329-I333 PolarHBondContact O-N 3.48Å; Y330-I333 PolarHBondContact O-N 2.92Å
334L95.4Very high93.8Very high2 Ų238.9 Ų38.91%0.0119%0.187CC..THydrogen-bonded Turntrans-97.619.2-179.1-63.6173.6000113.1L140 L193 Y196 T197 V200 Y330 V331 E332 E336 Q337 R338L140-L334 HydrophobicContact CD2-CD1 4.19Å; L193-L334 HydrophobicContact CD2-CD1 3.87Å; Y196-L334 HydrophobicContact CD1-CD1 3.94Å; Y196-L334 HydrophobicContact CD1-CD2 3.84Å; Y196-L334 HydrophobicContact CE1-CD2 3.94Å; T197-L334 WeakPolarHBondContact OG1-CD1 3.34Å; V200-L334 HydrophobicContact CG2-CD2 3.73Å; Y330-L334 WeakPolarHBondContact O-CB 3.39Å; Y330-L334 WeakPolarHBondContact O-CG 3.34Å; Y330-L334 PolarHBondContact O-N 3.49Å; V331-L334 CarbonylContact O-C 3.59Å; V331-L334 PolarHBondContact O-N 3.42Å; E332-L334 VanDerWaalsContact C-N 3.27Å; E332-L334 PolarHBondContact O-N 3.36Å; L334-E336 VanDerWaalsContact C-N 3.25Å; L334-E336 PolarHBondContact O-N 2.9Å; L334-Q337 PolarHBondContact O-N 3.23Å; L334-R338 WeakPolarHBondContact O-CB 3.37Å; L334-R338 PolarHBondContact O-N 3.44Å
335G94Very high93.6Very high24 Ų2440 Ų4025%0.24719%0.194CC..Hα-helixtrans-59.7-33.2-17400000114V331 E332 Q339V331-G335 WeakPolarHBondContact O-CA 3.45Å; V331-G335 PolarHBondContact O-N 3.02Å; E332-G335 PolarHBondContact O-N 3.08Å; G335-Q339 PolarHBondContact O-N 3.47Å; G335-Q339 VanDerWaalsContact O-N 3.13Å
336E93.1Very high93.5Very high134 Ų13443.8 Ų43.863%0.62621%0.211SC*.Hα-helixtrans-67.1-53.3175.4-178.2176.9-170.500111.3L334 R338 Q339 L340L334-E336 VanDerWaalsContact C-N 3.25Å; L334-E336 PolarHBondContact O-N 2.9Å; E336-R338 PolarHBondContact O-N 3.24Å; E336-Q339 PolarHBondContact O-N 3.36Å; E336-Q339 VanDerWaalsContact O-N 3.1Å; E336-L340 HydrophobicContact CG-CD1 4.07Å; E336-L340 WeakPolarHBondContact O-CG 3.24Å; E336-L340 PolarHBondContact O-N 2.83Å
337Q94.3Very high93.2Very high17 Ų1747.8 Ų47.88%0.07923%0.226CC..Hα-helixtrans-58.7-38.4178-69.674.713.400111.1G137 L140 Y196 L334 L340 T341G137-Q337 WeakPolarHBondContact O-CG 3.3Å; L140-Q337 HydrophobicContact CD1-CB 4.26Å; L140-Q337 HydrophobicContact CG-CB 4.15Å; Y196-Q337 HydrophobicContact CE1-CG 4.21Å; L334-Q337 PolarHBondContact O-N 3.23Å; Q337-L340 PolarHBondContact O-N 2.88Å; Q337-T341 WeakPolarHBondContact O-CB 3.5Å; Q337-T341 PolarHBondContact O-N 2.75Å; Q337-T341 PolarHBondContact O-OG1 3.37Å
338R93.4Very high92.9Very high71 Ų7149.1 Ų49.127%0.26823%0.232SC..Hα-helixtrans-59.5-49.1174.6-174.3-174.772.9-178.312.9112.1L140 F167 D168 L334 E336 T341 H342L140-R338 HydrophobicContact CD1-CB 4.23Å; F167-R338 HydrophobicContact CE1-CG 3.78Å; F167-R338 HydrophobicContact CZ-CG 3.94Å; D168-R338 VanDerWaalsContact CG-NH1 3.34Å; D168-R338 IonicContact OD2-CZ 3.65Å; D168-R338 IonicContact OD2-NH1 3.15Å; D168-R338 PolarHBondContact OD2-NH1 3.17Å; L334-R338 WeakPolarHBondContact O-CB 3.37Å; L334-R338 PolarHBondContact O-N 3.44Å; E336-R338 PolarHBondContact O-N 3.24Å; R338-T341 PolarHBondContact O-N 3.22Å; R338-H342 PolarHBondContact O-N 3.06Å
339Q92.9Very high92.6Very high93 Ų9354.1 Ų54.144%0.43526%0.256SS..Hα-helixtrans-63.4-45.2179.3-177.160.62800111.1G335 E336 T341 H342 E343G335-Q339 PolarHBondContact O-N 3.47Å; G335-Q339 VanDerWaalsContact O-N 3.13Å; E336-Q339 PolarHBondContact O-N 3.36Å; E336-Q339 VanDerWaalsContact O-N 3.1Å; Q339-T341 VanDerWaalsContact C-N 3.31Å; Q339-T341 PolarHBondContact O-N 2.96Å; Q339-H342 PolarHBondContact O-N 2.88Å; Q339-E343 PolarHBondContact NE2-OE1 2.98Å; Q339-E343 WeakPolarHBondContact O-CG 3.02Å; Q339-E343 PolarHBondContact O-N 3.14Å
340L94.1Very high92.2Very high48 Ų4856 Ų5625%0.25128%0.28SS..Hα-helixtrans-59.6-41.7176.9-70.6174.6000112.1Y139 E336 Q337 E343 N344Y139-L340 HydrophobicContact CD1-CB 4.03Å; Y139-L340 HydrophobicContact CE1-CB 3.96Å; Y139-L340 WeakPolarHBondContact CE1-O 3.44Å; E336-L340 HydrophobicContact CG-CD1 4.07Å; E336-L340 WeakPolarHBondContact O-CG 3.24Å; E336-L340 PolarHBondContact O-N 2.83Å; Q337-L340 PolarHBondContact O-N 2.88Å; L340-E343 PolarHBondContact O-N 2.62Å; L340-N344 VanDerWaalsContact O-CB 3.29Å; L340-N344 WeakPolarHBondContact O-CB 3.21Å; L340-N344 PolarHBondContact O-N 3.28Å
341T94.1Very high91.9Very high5 Ų559.2 Ų59.23%0.03129%0.292CS..Hα-helixtrans-63.3-45.6177.1-55.20000111Y139 L140 L164 Q337 R338 Q339 E343 N344 V345Y139-T341 WeakPolarHBondContact CA-OG1 3.46Å; L140-T341 HydrophobicContact CB-CG2 4.41Å; L140-T341 PolarHBondContact N-OG1 3.01Å; L140-T341 VanDerWaalsContact O-CG2 3.28Å; L140-T341 WeakPolarHBondContact O-CG2 3.45Å; L164-T341 HydrophobicContact CD1-CG2 4.27Å; Q337-T341 WeakPolarHBondContact O-CB 3.5Å; Q337-T341 PolarHBondContact O-N 2.75Å; Q337-T341 PolarHBondContact O-OG1 3.37Å; R338-T341 PolarHBondContact O-N 3.22Å; Q339-T341 VanDerWaalsContact C-N 3.31Å; Q339-T341 PolarHBondContact O-N 2.96Å; T341-E343 PolarHBondContact O-N 3.43Å; T341-N344 PolarHBondContact O-N 3.09Å; T341-V345 VanDerWaalsContact O-CG2 3.3Å; T341-V345 WeakPolarHBondContact O-CG2 3.31Å; T341-V345 PolarHBondContact O-N 3.3Å
342H93.1Very high91.6Very high29 Ų2962.7 Ų62.713%0.13431%0.314CS..Hα-helixtrans-62.1-44.3178.8-177.2-88.1000112S165 R338 Q339 V345 Q346S165-H342 PolarHBondContact OG-NE2 2.88Å; R338-H342 PolarHBondContact O-N 3.06Å; Q339-H342 PolarHBondContact O-N 2.88Å; H342-V345 PolarHBondContact O-N 2.87Å; H342-Q346 VanDerWaalsContact CE1-CD 3.49Å; H342-Q346 PolarHBondContact CE1-NE2 3.4Å; H342-Q346 WeakPolarHBondContact O-CB 3.5Å; H342-Q346 WeakPolarHBondContact O-CG 3.36Å; H342-Q346 PolarHBondContact O-N 3.28Å
343E92.2Very high91.2Very high84 Ų8457.7 Ų57.739%0.39330%0.301SS..Hα-helixtrans-64.5-40175.3-72176-168.200112.3Q339 L340 T341 Q346 R347Q339-E343 PolarHBondContact NE2-OE1 2.98Å; Q339-E343 WeakPolarHBondContact O-CG 3.02Å; Q339-E343 PolarHBondContact O-N 3.14Å; L340-E343 PolarHBondContact O-N 2.62Å; T341-E343 PolarHBondContact O-N 3.43Å; E343-Q346 PolarHBondContact O-N 3.21Å; E343-R347 WeakPolarHBondContact O-CB 3.29Å; E343-R347 PolarHBondContact O-N 2.95Å
344N91.4Very high90.6Very high6 Ų662.8 Ų62.83%0.03233%0.325CS..Hα-helixtrans-61.8-46.5176.8-168.851.3000111.6Y139 L340 T341 R347 K348Y139-N344 HydrophobicContact CD1-CB 4.04Å; Y139-N344 HydrophobicContact CE1-CB 3.68Å; Y139-N344 HydrophobicContact CE2-CB 4.48Å; L340-N344 VanDerWaalsContact O-CB 3.29Å; L340-N344 WeakPolarHBondContact O-CB 3.21Å; L340-N344 PolarHBondContact O-N 3.28Å; T341-N344 PolarHBondContact O-N 3.09Å; N344-R347 WeakPolarHBondContact O-CB 3.36Å; N344-R347 PolarHBondContact O-N 3.36Å; N344-R347 PolarHBondContact OD1-NH1 3.34Å; N344-K348 PolarHBondContact O-N 3.01Å
345V91.3Very high90.1Very high24 Ų2467.1 Ų67.115%0.14535%0.345CS..Hα-helixtrans-64.5-41.8177.8170.90000111.2Y160 L164 T341 H342 R347 K348 Q349Y160-V345 HydrophobicContact CD1-CG1 3.82Å; Y160-V345 HydrophobicContact CD1-CG2 4.21Å; Y160-V345 HydrophobicContact CE1-CG1 4.2Å; Y160-V345 HydrophobicContact CE1-CG2 3.71Å; L164-V345 HydrophobicContact CD1-CB 4.09Å; L164-V345 HydrophobicContact CD1-CG1 4.25Å; L164-V345 HydrophobicContact CD1-CG2 3.76Å; T341-V345 VanDerWaalsContact O-CG2 3.3Å; T341-V345 WeakPolarHBondContact O-CG2 3.31Å; T341-V345 PolarHBondContact O-N 3.3Å; H342-V345 PolarHBondContact O-N 2.87Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.7Å; V345-K348 PolarHBondContact O-N 3.39Å; V345-Q349 VanDerWaalsContact O-CB 3.25Å; V345-Q349 WeakPolarHBondContact O-CB 3.42Å; V345-Q349 PolarHBondContact O-N 3.22Å
346Q90.8Very high89.6Confident88 Ų8869.6 Ų69.641%0.41135%0.347SS..Hα-helixtrans-58.4-43.9173.1-81.7-177.4-15.400112.3I161 H342 E343 Q349 A350I161-Q346 HydrophobicContact CD1-CB 4.5Å; I161-Q346 HydrophobicContact CD1-CG 3.28Å; I161-Q346 HydrophobicContact CG1-CG 4.2Å; H342-Q346 VanDerWaalsContact CE1-CD 3.49Å; H342-Q346 PolarHBondContact CE1-NE2 3.4Å; H342-Q346 WeakPolarHBondContact O-CB 3.5Å; H342-Q346 WeakPolarHBondContact O-CG 3.36Å; H342-Q346 PolarHBondContact O-N 3.28Å; E343-Q346 PolarHBondContact O-N 3.21Å; Q346-Q349 PolarHBondContact O-N 2.83Å; Q346-A350 PolarHBondContact O-N 2.98Å; Q346-A350 VanDerWaalsContact O-N 3.14Å
347R89.2Confident89Confident93 Ų9369.3 Ų69.335%0.35135%0.345SS..Hα-helixtrans-64.9-51178-156.4-167.3-45.6113.110.8111.3E343 N344 V345 Q349 A350 R351 E359E343-R347 WeakPolarHBondContact O-CB 3.29Å; E343-R347 PolarHBondContact O-N 2.95Å; N344-R347 WeakPolarHBondContact O-CB 3.36Å; N344-R347 PolarHBondContact O-N 3.36Å; N344-R347 PolarHBondContact OD1-NH1 3.34Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.7Å; R347-Q349 PolarHBondContact O-N 3.22Å; R347-A350 PolarHBondContact O-N 2.83Å; R347-A350 VanDerWaalsContact O-N 3.16Å; R347-R351 WeakPolarHBondContact O-CG 3.39Å; R347-R351 PolarHBondContact O-N 2.9Å; R347-E359 IonicContact NH1-OE1 3.8Å; R347-E359 PolarHBondContact NH1-OE1 2.85Å
348K87.7Confident88.3Confident28 Ų2873.4 Ų73.412%0.12237%0.368CS..Hα-helixtrans-58.6-34176.6-82.6-166176-170.60112.1E133 N344 V345 R356E133-K348 IonicContact OE1-NZ 3.28Å; E133-K348 IonicContact OE2-NZ 3.72Å; N344-K348 PolarHBondContact O-N 3.01Å; V345-K348 PolarHBondContact O-N 3.39Å; K348-R356 PolarHBondContact O-NH2 3.21Å
349Q86.6Confident87.6Confident148 Ų14870.6 Ų70.669%0.69236%0.358SS*.Hα-helixtrans-73.5-32.5178.7-170.864.538.800113.2V345 Q346 R347V345-Q349 VanDerWaalsContact O-CB 3.25Å; V345-Q349 WeakPolarHBondContact O-CB 3.42Å; V345-Q349 PolarHBondContact O-N 3.22Å; Q346-Q349 PolarHBondContact O-N 2.83Å; R347-Q349 PolarHBondContact O-N 3.22Å
350A87.3Confident86.8Confident88 Ų8870.1 Ų70.173%0.72736%0.355SS*.Hα-helixtrans-79.5-16.9-17900000113.8Q346 R347Q346-A350 PolarHBondContact O-N 2.98Å; Q346-A350 VanDerWaalsContact O-N 3.14Å; R347-A350 PolarHBondContact O-N 2.83Å; R347-A350 VanDerWaalsContact O-N 3.16Å
351R86.9Confident85.8Confident69 Ų6974.4 Ų74.426%0.2637%0.374SS..SBendtrans-78.4152-175.8-75.4172.9-175.7-124.111.7113.8R347 E355 R356 E359R347-R351 WeakPolarHBondContact O-CG 3.39Å; R347-R351 PolarHBondContact O-N 2.9Å; R351-E355 HydrophobicContact CB-CB 4.03Å; R351-E355 HydrophobicContact CG-CB 4.15Å; R351-E355 PolarHBondContact NH1-O 3.07Å; R351-R356 PolarHBondContact O-NH2 2.79Å; R351-E359 VanDerWaalsContact CD-OE2 3.25Å; R351-E359 WeakPolarHBondContact CD-OE2 3.01Å; R351-E359 IonicContact CZ-OE1 3.96Å; R351-E359 IonicContact CZ-OE2 3.37Å; R351-E359 IonicContact NE-OE1 3.97Å; R351-E359 IonicContact NE-OE2 3.88Å; R351-E359 PolarHBondContact NE-OE2 2.8Å; R351-E359 IonicContact NH1-OE2 2.62Å; R351-E359 PolarHBondContact NH1-OE2 2.78Å; R351-E359 IonicContact NH2-OE1 3.61Å; R351-E359 PolarHBondContact NH2-OE1 3.32Å; R351-E359 IonicContact NH2-OE2 2.7Å; R351-E359 PolarHBondContact NH2-OE2 3.02Å
352T87.9Confident84.6Confident77 Ų7779.9 Ų79.947%0.47240%0.399SS..  trans-71.6-177170.862.90000111.7E355 R356T352-E355 PolarHBondContact N-OE2 3.38Å; T352-E355 VanDerWaalsContact OG1-CG 3.28Å; T352-E355 WeakPolarHBondContact OG1-CG 2.96Å; T352-E355 PolarHBondContact OG1-OE2 3.27Å; T352-R356 PolarHBondContact O-N 2.8Å; T352-R356 PolarHBondContact O-NH1 2.63Å
353G85.8Confident83.3Confident42 Ų4280.6 Ų80.643%0.43340%0.403SS..SBendtrans-65.1-56.2179.600000112.2E355 R356 E357G353-E355 PolarHBondContact O-N 3.16Å; G353-R356 WeakPolarHBondContact O-CB 3.22Å; G353-R356 PolarHBondContact O-N 2.72Å; G353-R356 VanDerWaalsContact O-N 3.16Å; G353-E357 PolarHBondContact O-N 2.81Å
354E82.1Confident81.7Confident149 Ų14981.4 Ų81.470%0.69641%0.409SS*.Hα-helixtrans-60.3-45.5-179.1-65.5174.2172.800111.6R356 E357 D358E354-R356 PolarHBondContact O-N 2.85Å; E354-R356 VanDerWaalsContact O-N 3.09Å; E354-E357 PolarHBondContact O-N 3.21Å; E354-E357 VanDerWaalsContact O-N 3.16Å; E354-D358 PolarHBondContact O-N 2.78Å
355E84.8Confident80Confident92 Ų9283.8 Ų83.843%0.4343%0.426SS..Hα-helixtrans-64.1-17.7178.7-68.2168.3158.200114.7R351 T352 G353R351-E355 HydrophobicContact CB-CB 4.03Å; R351-E355 HydrophobicContact CG-CB 4.15Å; R351-E355 PolarHBondContact NH1-O 3.07Å; T352-E355 PolarHBondContact N-OE2 3.38Å; T352-E355 VanDerWaalsContact OG1-CG 3.28Å; T352-E355 WeakPolarHBondContact OG1-CG 2.96Å; T352-E355 PolarHBondContact OG1-OE2 3.27Å; G353-E355 PolarHBondContact O-N 3.16Å
356R82.4Confident78.1Confident77 Ų7787.4 Ų87.429%0.29144%0.442SS..Hα-helixtrans-86.7-41.2175.5-176.8-175.5-63.784.711.7110.9K348 R351 T352 G353 E354 D358 E359 E360K348-R356 PolarHBondContact O-NH2 3.21Å; R351-R356 PolarHBondContact O-NH2 2.79Å; T352-R356 PolarHBondContact O-N 2.8Å; T352-R356 PolarHBondContact O-NH1 2.63Å; G353-R356 WeakPolarHBondContact O-CB 3.22Å; G353-R356 PolarHBondContact O-N 2.72Å; G353-R356 VanDerWaalsContact O-N 3.16Å; E354-R356 PolarHBondContact O-N 2.85Å; E354-R356 VanDerWaalsContact O-N 3.09Å; R356-D358 VanDerWaalsContact C-N 3.35Å; R356-E359 PolarHBondContact O-N 3.35Å; R356-E360 PolarHBondContact O-N 3.12Å
357E80.8Confident76.2Confident128 Ų12886.1 Ų86.160%0.59844%0.443SS*.Hα-helixtrans-62.1-44.6174.8-68.2174.4-17300110.2G353 E354 E359 E360 E361G353-E357 PolarHBondContact O-N 2.81Å; E354-E357 PolarHBondContact O-N 3.21Å; E354-E357 VanDerWaalsContact O-N 3.16Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E357-E359 PolarHBondContact O-N 3.42Å; E357-E360 PolarHBondContact O-N 3.35Å; E357-E361 PolarHBondContact O-N 3.22Å
358D80.3Confident74.1Confident103 Ų10389.6 Ų89.655%0.55146%0.463SS*.Hα-helixtrans-61.2-38.4176.7-69.6-17.9000112.6E354 R356 E362E354-D358 PolarHBondContact O-N 2.78Å; R356-D358 VanDerWaalsContact C-N 3.35Å; D358-E362 VanDerWaalsContact O-CB 3.3Å; D358-E362 WeakPolarHBondContact O-CB 3.46Å; D358-E362 PolarHBondContact O-N 2.88Å
359E78.3Confident71.8Confident12 Ų1292 Ų926%0.05648%0.483CS..Hα-helixtrans-74.5-32.7178.3-167.2176.4-150.900112.4R347 R351 R356 E357 E362 Q363R347-E359 IonicContact NH1-OE1 3.8Å; R347-E359 PolarHBondContact NH1-OE1 2.85Å; R351-E359 VanDerWaalsContact CD-OE2 3.25Å; R351-E359 WeakPolarHBondContact CD-OE2 3.01Å; R351-E359 IonicContact CZ-OE1 3.96Å; R351-E359 IonicContact CZ-OE2 3.37Å; R351-E359 IonicContact NE-OE1 3.97Å; R351-E359 IonicContact NE-OE2 3.88Å; R351-E359 PolarHBondContact NE-OE2 2.8Å; R351-E359 IonicContact NH1-OE2 2.62Å; R351-E359 PolarHBondContact NH1-OE2 2.78Å; R351-E359 IonicContact NH2-OE1 3.61Å; R351-E359 PolarHBondContact NH2-OE1 3.32Å; R351-E359 IonicContact NH2-OE2 2.7Å; R351-E359 PolarHBondContact NH2-OE2 3.02Å; R356-E359 PolarHBondContact O-N 3.35Å; E357-E359 VanDerWaalsContact C-N 3.35Å; E357-E359 PolarHBondContact O-N 3.42Å; E359-E362 PolarHBondContact O-N 3.49Å; E359-Q363 WeakPolarHBondContact O-CB 3.38Å; E359-Q363 VanDerWaalsContact O-CG 3.28Å; E359-Q363 WeakPolarHBondContact O-CG 3.42Å; E359-Q363 PolarHBondContact O-N 3.01Å
360E75.4Confident69.8Low83 Ų8389.2 Ų89.239%0.38847%0.47SS..Hα-helixtrans-66.2-43.4173-77.9174.5-174.500110.5R356 E357 L364R356-E360 PolarHBondContact O-N 3.12Å; E357-E360 PolarHBondContact O-N 3.35Å; E360-L364 WeakPolarHBondContact O-CB 3.23Å; E360-L364 WeakPolarHBondContact O-CD1 3.45Å; E360-L364 WeakPolarHBondContact O-CG 3.44Å; E360-L364 PolarHBondContact O-N 3.15Å
361E73.8Confident67.8Low138 Ų13890.3 Ų90.365%0.64546%0.464SS*.Hα-helixtrans-63.9-40.9172.6-74.7-168.8174.100112.2E357 L364 S365E357-E361 PolarHBondContact O-N 3.22Å; E361-L364 PolarHBondContact O-N 2.72Å; E361-S365 WeakPolarHBondContact O-CB 3.45Å; E361-S365 PolarHBondContact O-N 2.98Å; E361-S365 PolarHBondContact O-OG 3.46Å
362E68.9Low65.7Low120 Ų12095.6 Ų95.656%0.56149%0.491SS*.Hα-helixtrans-65.3-44.3178-165.8171.9-155.900111.2D358 E359 L364 S365 E366D358-E362 VanDerWaalsContact O-CB 3.3Å; D358-E362 WeakPolarHBondContact O-CB 3.46Å; D358-E362 PolarHBondContact O-N 2.88Å; E359-E362 PolarHBondContact O-N 3.49Å; E362-L364 PolarHBondContact O-N 2.84Å; E362-S365 WeakPolarHBondContact CA-OG 3.4Å; E362-S365 PolarHBondContact O-N 2.73Å; E362-S365 VanDerWaalsContact O-N 3.15Å; E362-S365 PolarHBondContact O-OG 3.4Å; E362-E366 VanDerWaalsContact O-CB 3.32Å; E362-E366 WeakPolarHBondContact O-CB 3.2Å; E362-E366 PolarHBondContact O-N 3.06Å
363Q65.2Low63.6Low44 Ų4498.8 Ų98.821%0.20651%0.505CS..Hα-helixtrans-61.7-41.6175.9-79178.5-10.600112.6E359 S367E359-Q363 WeakPolarHBondContact O-CB 3.38Å; E359-Q363 VanDerWaalsContact O-CG 3.28Å; E359-Q363 WeakPolarHBondContact O-CG 3.42Å; E359-Q363 PolarHBondContact O-N 3.01Å; Q363-S367 WeakPolarHBondContact O-CB 3.45Å; Q363-S367 PolarHBondContact O-N 3.4Å; Q363-S367 VanDerWaalsContact O-N 3.17Å
364L59.9Low61.5Low101 Ų101104.2 Ų104.253%0.52952%0.524SS..Hα-helixtrans-62.4-43.9173-82.5154.5000110.8E360 E361 E362 S367 E368E360-L364 WeakPolarHBondContact O-CB 3.23Å; E360-L364 WeakPolarHBondContact O-CD1 3.45Å; E360-L364 WeakPolarHBondContact O-CG 3.44Å; E360-L364 PolarHBondContact O-N 3.15Å; E361-L364 PolarHBondContact O-N 2.72Å; E362-L364 PolarHBondContact O-N 2.84Å; L364-S367 PolarHBondContact O-N 3.49Å; L364-S367 PolarHBondContact O-OG 2.97Å; L364-E368 PolarHBondContact O-N 3.08Å
365S55.8Low59.8Low56 Ų56105.6 Ų105.639%0.39253%0.531SS..Hα-helixtrans-70.2-41.7-179.973.60000113.5E361 E362 S367 E368 S369E361-S365 WeakPolarHBondContact O-CB 3.45Å; E361-S365 PolarHBondContact O-N 2.98Å; E361-S365 PolarHBondContact O-OG 3.46Å; E362-S365 WeakPolarHBondContact CA-OG 3.4Å; E362-S365 PolarHBondContact O-N 2.73Å; E362-S365 VanDerWaalsContact O-N 3.15Å; E362-S365 PolarHBondContact O-OG 3.4Å; S365-S367 PolarHBondContact O-N 3.12Å; S365-E368 CarbonylContact O-C 3.52Å; S365-E368 WeakPolarHBondContact O-CA 3.46Å; S365-E368 PolarHBondContact O-N 3.17Å; S365-S369 WeakPolarHBondContact O-CB 3.49Å; S365-S369 PolarHBondContact O-N 3.46Å; S365-S369 PolarHBondContact O-OG 2.89Å
366E51.5Low58.1Low99 Ų99109.1 Ų109.146%0.46355%0.551SS.*Hα-helixtrans-63.8-32.6178.6-160.2175.4-153.200110.2E362 E368 E370E362-E366 VanDerWaalsContact O-CB 3.32Å; E362-E366 WeakPolarHBondContact O-CB 3.2Å; E362-E366 PolarHBondContact O-N 3.06Å; E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 3.39Å; E366-E370 HydrophobicContact CG-CG 3.88Å; E366-E370 WeakPolarHBondContact CG-OE1 3.22Å; E366-E370 WeakPolarHBondContact O-CG 3.22Å
367S50.4Low56.6Low62 Ų62109.3 Ų109.343%0.43456%0.557SS.*Hα-helixtrans-67-22.5171.582.40000114.2R34 Q363 L364 S365R34-S367 PolarHBondContact NH1-O 3.34Å; Q363-S367 WeakPolarHBondContact O-CB 3.45Å; Q363-S367 PolarHBondContact O-N 3.4Å; Q363-S367 VanDerWaalsContact O-N 3.17Å; L364-S367 PolarHBondContact O-N 3.49Å; L364-S367 PolarHBondContact O-OG 2.97Å; S365-S367 PolarHBondContact O-N 3.12Å
368E44.3Very low55.3Low166 Ų166112.6 Ų112.678%0.77657%0.565SS**Hα-helixtrans-106.3-16.8179.9-66.9-155.2163.700114.4L364 S365 E366L364-E368 PolarHBondContact O-N 3.08Å; S365-E368 CarbonylContact O-C 3.52Å; S365-E368 WeakPolarHBondContact O-CA 3.46Å; S365-E368 PolarHBondContact O-N 3.17Å; E366-E368 VanDerWaalsContact C-N 3.26Å; E366-E368 PolarHBondContact O-N 3.39Å
369S39.8Very low54.6Low77 Ų77109.5 Ų109.554%0.53855%0.549SS..Hα-helixtrans-132.520.8-167.274.30000116.4S365 D371S365-S369 WeakPolarHBondContact O-CB 3.49Å; S365-S369 PolarHBondContact O-N 3.46Å; S365-S369 PolarHBondContact O-OG 2.89Å; S369-D371 PolarHBondContact O-N 3.25Å
370E43.7Very low53.9Low91 Ų91113.4 Ų113.443%0.42558%0.575SS.*THydrogen-bonded Turntrans-72.4-3.8172.8-88.8-173.8179.400114.1E366E366-E370 HydrophobicContact CG-CG 3.88Å; E366-E370 WeakPolarHBondContact CG-OE1 3.22Å; E366-E370 WeakPolarHBondContact O-CG 3.22Å
371D46.6Very low53.3Low111 Ų111116.3 Ų116.359%0.59459%0.586SS**THydrogen-bonded Turntrans-91.2-7.7-171.4-77-33.6000115.8Q125 S369Q125-D371 PolarHBondContact NE2-OD2 2.86Å; S369-D371 PolarHBondContact O-N 3.25Å
372E42.3Very low52.9Low179 Ų179115.7 Ų115.784%0.83659%0.587SS**SBendtrans-106.3-15.8-170.2-76.2-161.1161.200117.6
373D43Very low53.2Low144 Ų144110.8 Ų110.877%0.7757%0.565SS**SBendtrans-11890.4-174.5-78-31.2000111.4
374N42Very low53.3Low156 Ų156110.4 Ų110.483%0.83457%0.566SS**  trans164.439.7137.4-81.2-48.8000115.8
375E46Very low54.1Low178 Ų178110.2 Ų110.283%0.83257%0.565SS**  trans-107.8100154-71.7-154.7160.300110.1I377E375-I377 PolarHBondContact O-N 2.88Å
376I49.3Very low54.8Low167 Ų167108.9 Ų108.986%0.85656%0.561SS**  trans-64.390.7164.8-60.1173.4000106.9Y378I376-Y378 PolarHBondContact O-N 3.17Å
377I51.3Low55.5Low80 Ų80116.2 Ų116.241%0.4158%0.584SS.*  trans-57.7116.1177.4-60.4174.5000107.7E375 N379 G389 P391E375-I377 PolarHBondContact O-N 2.88Å; I377-N379 PolarHBondContact O-N 3.42Å; I377-G389 WeakPolarHBondContact CD1-O 3.5Å; I377-P391 HydrophobicContact CG2-CG 4.33Å
378Y54.5Low56.1Low198 Ų198117.6 Ų117.678%0.77659%0.587SS**  trans-62.193.1-178.3-177.1-106.5000110.7I376 P380I376-Y378 PolarHBondContact O-N 3.17Å; Y378-P380 HydrophobicContact CD1-CG 3.98Å; Y378-P380 HydrophobicContact CE1-CB 4.22Å; Y378-P380 HydrophobicContact CE1-CG 3.53Å; Y378-P380 HydrophobicContact CE2-CB 4.49Å; Y378-P380 WeakPolarHBondContact O-CD 3.38Å
379N65Low57.1Low38 Ų38111.2 Ų111.220%0.20357%0.565CS.*  trans-113.967.1179.6-171.87.1000111.5I377 K381 N382 L383 P391I377-N379 PolarHBondContact O-N 3.42Å; N379-K381 PolarHBondContact O-N 2.76Å; N379-N382 PolarHBondContact O-N 3.22Å; N379-N382 WeakPolarHBondContact OD1-CA 3.18Å; N379-N382 PolarHBondContact OD1-N 3.29Å; N379-N382 VanDerWaalsContact OD1-N 3.15Å; N379-L383 PolarHBondContact ND2-N 3.39Å; N379-L383 PolarHBondContact ND2-O 2.99Å; N379-L383 PolarHBondContact OD1-N 2.71Å; N379-P391 HydrophobicContact CB-CG 3.94Å
380P62.8Low58.9Low93 Ų93113.4 Ų113.460%0.60457%0.565SS**THydrogen-bonded Turntrans-65-13.8-174.428.3-38000113.9Y378Y378-P380 HydrophobicContact CD1-CG 3.98Å; Y378-P380 HydrophobicContact CE1-CB 4.22Å; Y378-P380 HydrophobicContact CE1-CG 3.53Å; Y378-P380 HydrophobicContact CE2-CB 4.49Å; Y378-P380 WeakPolarHBondContact O-CD 3.38Å
381K64Low60.5Low144 Ų144110.9 Ų110.963%0.62656%0.556SS**THydrogen-bonded Turntrans-103.84.1177.1-68.7-173.5178.9178.10113.5N379 L383N379-K381 PolarHBondContact O-N 2.76Å; K381-L383 HydrophobicContact CB-CD1 4.11Å; K381-L383 HydrophobicContact CB-CG 3.93Å; K381-L383 PolarHBondContact O-N 2.93Å; K381-L383 VanDerWaalsContact O-N 3.1Å
382N64.4Low62Low125 Ų125107.2 Ų107.267%0.66854%0.537SS*.  trans44.642.9-178.8-143.62.1000112.6N379N379-N382 PolarHBondContact O-N 3.22Å; N379-N382 WeakPolarHBondContact OD1-CA 3.18Å; N379-N382 PolarHBondContact OD1-N 3.29Å; N379-N382 VanDerWaalsContact OD1-N 3.15Å
383L75.1Confident63.9Low18 Ų18102 Ų1029%0.09452%0.518CS..PPolyproline II helixtrans-72.3145.8178.4-69.6167.5000108.5N379 K381 P391 Y394 Y397N379-L383 PolarHBondContact ND2-N 3.39Å; N379-L383 PolarHBondContact ND2-O 2.99Å; N379-L383 PolarHBondContact OD1-N 2.71Å; K381-L383 HydrophobicContact CB-CD1 4.11Å; K381-L383 HydrophobicContact CB-CG 3.93Å; K381-L383 PolarHBondContact O-N 2.93Å; K381-L383 VanDerWaalsContact O-N 3.1Å; L383-P391 HydrophobicContact CB-CB 4.15Å; L383-Y394 HydrophobicContact CD2-CD2 4.25Å; L383-Y397 HydrophobicContact CD2-CD1 3.47Å; L383-Y397 VanDerWaalsContact CD2-CD1 3.47Å; L383-Y397 HydrophobicContact CD2-CD2 4.07Å; L383-Y397 HydrophobicContact CD2-CE1 3.7Å; L383-Y397 HydrophobicContact CD2-CE2 4.31Å; L383-Y397 HydrophobicContact CD2-CG 3.66Å
384P68.9Low65.5Low36 Ų36100.9 Ų100.923%0.23450%0.504CS..PPolyproline II helixtrans-53.3149.9173.6-20.931.4000110.6I392 Y397P384-I392 HydrophobicContact CB-CD1 3.99Å; P384-I392 HydrophobicContact CB-CG1 4.22Å; P384-I392 WeakPolarHBondContact O-CG1 3.37Å; P384-I392 PolarHBondContact O-N 3.07Å; P384-Y397 HydrophobicContact CG-CD2 4.16Å; P384-Y397 HydrophobicContact CG-CE2 3.91Å
385L76.3Confident67.4Low97 Ų97101.4 Ų101.451%0.50849%0.494SS..BIsolated β-bridgetrans-85.9141.2175.3-56.8179000108.9G389 P391L385-G389 WeakPolarHBondContact CD2-O 3.3Å; L385-P391 HydrophobicContact CD2-CB 4.41Å; L385-P391 HydrophobicContact CD2-CG 3.98Å
386G70.1Confident69Low28 Ų2895 Ų9529%0.28947%0.466SS..  trans-73.4-177.9170.500000111.3D388 G389 K390G386-D388 PolarHBondContact O-N 3.48Å; G386-G389 PolarHBondContact O-N 2.74Å; G386-G389 VanDerWaalsContact O-N 3.17Å; G386-K390 PolarHBondContact N-O 3.3Å
387W66.4Low70.4Confident253 Ų25388.1 Ų88.196%0.95843%0.429SS*.THydrogen-bonded Turntrans-65.4-14.8170.862.7-87.9000113.1G389W387-G389 VanDerWaalsContact C-N 3.34Å
388D61.8Low71.8Confident91 Ų9188.8 Ų88.849%0.48743%0.429SS..THydrogen-bonded Turntrans-90.512175.3-178.128.2000112.3G386 K390G386-D388 PolarHBondContact O-N 3.48Å; D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 IonicContact OD1-NZ 3.07Å; D388-K390 WeakPolarHBondContact OD2-CD 3.3Å; D388-K390 IonicContact OD2-NZ 3.13Å
389G65.2Low73.2Confident31 Ų3185 Ų8532%0.3242%0.422SS..SBendtrans66.5-10.3-178.400000115.6I377 L385 G386 W387I377-G389 WeakPolarHBondContact CD1-O 3.5Å; L385-G389 WeakPolarHBondContact CD2-O 3.3Å; G386-G389 PolarHBondContact O-N 2.74Å; G386-G389 VanDerWaalsContact O-N 3.17Å; W387-G389 VanDerWaalsContact C-N 3.34Å
390K78.3Confident73.8Confident123 Ų12388.8 Ų88.854%0.53544%0.438SS..SBendtrans-89.2149.7179.7-67.3172.4-166.2151.40112.4G386 D388 I392G386-K390 PolarHBondContact N-O 3.3Å; D388-K390 PolarHBondContact O-N 2.87Å; D388-K390 IonicContact OD1-NZ 3.07Å; D388-K390 WeakPolarHBondContact OD2-CD 3.3Å; D388-K390 IonicContact OD2-NZ 3.13Å; K390-I392 PolarHBondContact O-N 3.16Å
391P77.6Confident74.7Confident38 Ų3884.8 Ų84.825%0.24741%0.413CS..BIsolated β-bridgetrans-58129.3176.2-23.533.2000112.1I377 N379 L383 L385I377-P391 HydrophobicContact CG2-CG 4.33Å; N379-P391 HydrophobicContact CB-CG 3.94Å; L383-P391 HydrophobicContact CB-CB 4.15Å; L385-P391 HydrophobicContact CD2-CB 4.41Å; L385-P391 HydrophobicContact CD2-CG 3.98Å
392I77.8Confident75.5Confident35 Ų3580.1 Ų80.118%0.17940%0.395CS..PPolyproline II helixtrans-61137.8-178.2-24.7-164.8000109.9P384 K390 Y394 L396 L402P384-I392 HydrophobicContact CB-CD1 3.99Å; P384-I392 HydrophobicContact CB-CG1 4.22Å; P384-I392 WeakPolarHBondContact O-CG1 3.37Å; P384-I392 PolarHBondContact O-N 3.07Å; K390-I392 PolarHBondContact O-N 3.16Å; I392-Y394 PolarHBondContact O-N 3.41Å; I392-L396 HydrophobicContact CG2-CB 4.31Å; I392-L396 HydrophobicContact CG2-CD2 3.73Å; I392-L396 HydrophobicContact CG2-CG 4.19Å; I392-L402 HydrophobicContact CD1-CD1 4.27Å
393P82.3Confident76.2Confident68 Ų6876.5 Ų76.544%0.44238%0.376SS..PPolyproline II helixtrans-49.5135.1175.2-31.535.5000113.6W395 L396 Y397P393-W395 VanDerWaalsContact C-N 3.28Å; P393-W395 PolarHBondContact O-N 2.94Å; P393-L396 HydrophobicContact CB-CB 4.38Å; P393-L396 WeakPolarHBondContact O-CA 3.31Å; P393-L396 WeakPolarHBondContact O-CB 3.25Å; P393-L396 PolarHBondContact O-N 3.21Å; P393-Y397 PolarHBondContact O-N 2.93Å
394Y76.7Confident76.6Confident121 Ų12179.1 Ų79.148%0.47539%0.389SS..Hα-helixtrans-58.9-34.6-171.9-177.4-106.6000114.2L383 I392 L396 Y397 K398L383-Y394 HydrophobicContact CD2-CD2 4.25Å; I392-Y394 PolarHBondContact O-N 3.41Å; Y394-L396 VanDerWaalsContact C-N 3.34Å; Y394-Y397 HydrophobicContact CD2-CD1 4.33Å; Y394-Y397 HydrophobicContact CE2-CD1 4.43Å; Y394-Y397 WeakPolarHBondContact O-CB 3.47Å; Y394-K398 HydrophobicContact CE1-CG 4.15Å; Y394-K398 WeakPolarHBondContact O-CG 3.37Å; Y394-K398 PolarHBondContact O-N 3.39Å; Y394-K398 WeakPolarHBondContact OH-CE 3.48Å
395W81.9Confident77.4Confident167 Ų16781.9 Ų81.963%0.63340%0.402SS*.Hα-helixtrans-68-35.2176.266.5-93.8000111.7P393 K398 L399P393-W395 VanDerWaalsContact C-N 3.28Å; P393-W395 PolarHBondContact O-N 2.94Å; W395-K398 PolarHBondContact O-N 2.89Å; W395-L399 HydrophobicContact CE3-CD2 4.39Å; W395-L399 HydrophobicContact CZ3-CD2 3.97Å; W395-L399 VanDerWaalsContact O-CB 3.27Å; W395-L399 WeakPolarHBondContact O-CB 3.26Å; W395-L399 PolarHBondContact O-N 3.21Å
396L80.3Confident78Confident45 Ų4581.2 Ų81.224%0.23639%0.393CS..Hα-helixtrans-73-38.7178.5-170.760.1000110.7I392 P393 Y394 K398 L399 H400I392-L396 HydrophobicContact CG2-CB 4.31Å; I392-L396 HydrophobicContact CG2-CD2 3.73Å; I392-L396 HydrophobicContact CG2-CG 4.19Å; P393-L396 HydrophobicContact CB-CB 4.38Å; P393-L396 WeakPolarHBondContact O-CA 3.31Å; P393-L396 WeakPolarHBondContact O-CB 3.25Å; P393-L396 PolarHBondContact O-N 3.21Å; Y394-L396 VanDerWaalsContact C-N 3.34Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.22Å; L396-L399 HydrophobicContact CD1-CD2 4.23Å; L396-L399 PolarHBondContact O-N 3.11Å; L396-H400 WeakPolarHBondContact CD1-CD2 3.42Å; L396-H400 WeakPolarHBondContact CD1-NE2 3.36Å; L396-H400 PolarHBondContact O-CD2 2.9Å; L396-H400 PolarHBondContact O-N 2.91Å
397Y78.4Confident79.1Confident22 Ų2283.7 Ų83.79%0.08640%0.4CS..Hα-helixtrans-57.3-41.2169.9177.9-112.2000112.3L383 P384 P393 Y394 L402 N403 R417L383-Y397 HydrophobicContact CD2-CD1 3.47Å; L383-Y397 VanDerWaalsContact CD2-CD1 3.47Å; L383-Y397 HydrophobicContact CD2-CD2 4.07Å; L383-Y397 HydrophobicContact CD2-CE1 3.7Å; L383-Y397 HydrophobicContact CD2-CE2 4.31Å; L383-Y397 HydrophobicContact CD2-CG 3.66Å; P384-Y397 HydrophobicContact CG-CD2 4.16Å; P384-Y397 HydrophobicContact CG-CE2 3.91Å; P393-Y397 PolarHBondContact O-N 2.93Å; Y394-Y397 HydrophobicContact CD2-CD1 4.33Å; Y394-Y397 HydrophobicContact CE2-CD1 4.43Å; Y394-Y397 WeakPolarHBondContact O-CB 3.47Å; Y397-L402 HydrophobicContact CD2-CB 3.32Å; Y397-L402 HydrophobicContact CD2-CD1 4.12Å; Y397-L402 HydrophobicContact CD2-CG 4.37Å; Y397-L402 VanDerWaalsContact CE2-C 3.43Å; Y397-L402 HydrophobicContact CE2-CB 3.43Å; Y397-L402 VanDerWaalsContact CE2-CB 3.43Å; Y397-L402 WeakPolarHBondContact CE2-O 3.38Å; Y397-L402 HydrophobicContact CG-CB 4.25Å; Y397-L402 PolarHBondContact O-N 2.93Å; Y397-L402 PolarHBondContact OH-O 3.17Å; Y397-N403 HydrophobicContact CD1-CB 3.88Å; Y397-N403 HydrophobicContact CE1-CB 3.32Å; Y397-N403 VanDerWaalsContact CZ-CA 3.47Å; Y397-N403 WeakPolarHBondContact OH-CA 3.42Å; Y397-R417 PolarHBondContact OH-NH2 3.26Å
398K80.2Confident80.3Confident93 Ų9371.6 Ų71.640%0.40435%0.354SS..Hα-helixtrans-73.9-41.1175-73.8-77.5175.6-179.40113Y394 W395 L396 H400 G401 N403Y394-K398 HydrophobicContact CE1-CG 4.15Å; Y394-K398 WeakPolarHBondContact O-CG 3.37Å; Y394-K398 PolarHBondContact O-N 3.39Å; Y394-K398 WeakPolarHBondContact OH-CE 3.48Å; W395-K398 PolarHBondContact O-N 2.89Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.22Å; K398-H400 PolarHBondContact O-N 3.03Å; K398-G401 PolarHBondContact O-N 3.26Å; K398-G401 VanDerWaalsContact O-N 3.15Å; K398-N403 HydrophobicContact CD-CB 4.21Å; K398-N403 PolarHBondContact NZ-ND2 2.98Å
399L82.9Confident81.9Confident120 Ų12071.1 Ų71.163%0.62835%0.349SS*.Hα-helixtrans-61.8-44.2-179.3-178.967.1000111.7W395 L396 G401W395-L399 HydrophobicContact CE3-CD2 4.39Å; W395-L399 HydrophobicContact CZ3-CD2 3.97Å; W395-L399 VanDerWaalsContact O-CB 3.27Å; W395-L399 WeakPolarHBondContact O-CB 3.26Å; W395-L399 PolarHBondContact O-N 3.21Å; L396-L399 HydrophobicContact CD1-CD2 4.23Å; L396-L399 PolarHBondContact O-N 3.11Å; L399-G401 PolarHBondContact O-N 3.42Å
400H78.8Confident83.1Confident117 Ų11770.2 Ų70.254%0.54234%0.336SS..THydrogen-bonded Turntrans-82.83.4178.1-71.5-58.8000113.9L396 K398 L402L396-H400 WeakPolarHBondContact CD1-CD2 3.42Å; L396-H400 WeakPolarHBondContact CD1-NE2 3.36Å; L396-H400 PolarHBondContact O-CD2 2.9Å; L396-H400 PolarHBondContact O-N 2.91Å; K398-H400 PolarHBondContact O-N 3.03Å; H400-L402 HydrophobicContact CB-CD1 4.34Å; H400-L402 HydrophobicContact CB-CG 4.18Å; H400-L402 PolarHBondContact O-N 3.49Å
401G81.8Confident83.7Confident9 Ų965.1 Ų65.19%0.09332%0.316CS..THydrogen-bonded Turntrans66.117.9177.800000114.2K398 L399 N403 I404 G418K398-G401 PolarHBondContact O-N 3.26Å; K398-G401 VanDerWaalsContact O-N 3.15Å; L399-G401 PolarHBondContact O-N 3.42Å; G401-N403 PolarHBondContact O-N 3.29Å; G401-N403 VanDerWaalsContact O-N 3.12Å; G401-I404 WeakPolarHBondContact O-CB 3.38Å; G401-I404 PolarHBondContact O-N 3.4Å; G401-G418 WeakPolarHBondContact O-CA 3.48Å
402L80.8Confident84.3Confident45 Ų4566.5 Ų66.524%0.23634%0.338CS..THydrogen-bonded Turntrans-64.5-15.4179.3-68.5169.2000112.5I392 Y397 H400 I404I392-L402 HydrophobicContact CD1-CD1 4.27Å; Y397-L402 HydrophobicContact CD2-CB 3.32Å; Y397-L402 HydrophobicContact CD2-CD1 4.12Å; Y397-L402 HydrophobicContact CD2-CG 4.37Å; Y397-L402 VanDerWaalsContact CE2-C 3.43Å; Y397-L402 HydrophobicContact CE2-CB 3.43Å; Y397-L402 VanDerWaalsContact CE2-CB 3.43Å; Y397-L402 WeakPolarHBondContact CE2-O 3.38Å; Y397-L402 HydrophobicContact CG-CB 4.25Å; Y397-L402 PolarHBondContact O-N 2.93Å; Y397-L402 PolarHBondContact OH-O 3.17Å; H400-L402 HydrophobicContact CB-CD1 4.34Å; H400-L402 HydrophobicContact CB-CG 4.18Å; H400-L402 PolarHBondContact O-N 3.49Å; L402-I404 PolarHBondContact O-N 3.09Å
403N78.3Confident84.9Confident50 Ų5069.7 Ų69.727%0.26736%0.355SS..THydrogen-bonded Turntrans-80.41.6173.274.4-75.6000114.6Y397 K398 G401Y397-N403 HydrophobicContact CD1-CB 3.88Å; Y397-N403 HydrophobicContact CE1-CB 3.32Å; Y397-N403 VanDerWaalsContact CZ-CA 3.47Å; Y397-N403 WeakPolarHBondContact OH-CA 3.42Å; K398-N403 HydrophobicContact CD-CB 4.21Å; K398-N403 PolarHBondContact NZ-ND2 2.98Å; G401-N403 PolarHBondContact O-N 3.29Å; G401-N403 VanDerWaalsContact O-N 3.12Å
404I83.5Confident85.2Confident73 Ų7371.7 Ų71.737%0.37436%0.355SS..SBendtrans-109.2121.4179.5-53.8175.5000107.3G401 L402 Y406 G418G401-I404 WeakPolarHBondContact O-CB 3.38Å; G401-I404 PolarHBondContact O-N 3.4Å; L402-I404 PolarHBondContact O-N 3.09Å; I404-Y406 HydrophobicContact CB-CE2 4.1Å; I404-Y406 HydrophobicContact CG2-CD2 4.23Å; I404-Y406 HydrophobicContact CG2-CE2 3.55Å; I404-G418 PolarHBondContact O-N 3.02Å
405N86.1Confident85.8Confident94 Ų9468.9 Ų68.950%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-93.8131.9179.9-68.6-15.7000109.5T415N405-T415 HydrophobicContact CB-CG2 3.67Å
406Y89.9Confident86.1Confident82 Ų8261.9 Ų61.932%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-119.3134.1173-67.9-89.6000109.2I404 T415 Y416 P419 F422I404-Y406 HydrophobicContact CB-CE2 4.1Å; I404-Y406 HydrophobicContact CG2-CD2 4.23Å; I404-Y406 HydrophobicContact CG2-CE2 3.55Å; Y406-T415 CarbonylContact O-C 3.55Å; Y406-Y416 PolarHBondContact N-O 3.06Å; Y406-Y416 PolarHBondContact O-N 3.34Å; Y406-P419 HydrophobicContact CE2-CB 4.27Å; Y406-P419 HydrophobicContact CE2-CG 3.86Å; Y406-F422 VanDerWaalsContact CB-CD2 3.4Å; Y406-F422 HydrophobicContact CD1-CD1 4.19Å; Y406-F422 HydrophobicContact CD1-CE1 4.31Å; Y406-F422 HydrophobicContact CD1-CG 4.49Å; Y406-F422 HydrophobicContact CD2-CB 4.25Å; Y406-F422 HydrophobicContact CD2-CG 4.48Å; Y406-F422 HydrophobicContact CG-CB 4.22Å; Y406-F422 HydrophobicContact CG-CD1 4.1Å; Y406-F422 HydrophobicContact CG-CD2 4.31Å; Y406-F422 AromaticContact CG-CG 3.95Å; Y406-F422 HydrophobicContact CG-CG 3.95Å
407N91.3Very high86.4Confident80 Ų8064.8 Ų64.843%0.42833%0.331SS..EExtended strand (participates in β ladder)trans-107.4140.1-178.6-58.9-13.7000109.8Y414 T415N407-Y414 WeakPolarHBondContact CA-O 3.5Å; N407-T415 WeakPolarHBondContact OD1-CG2 3.41Å; N407-T415 PolarHBondContact OD1-OG1 3.4Å
408C93.6Very high86.9Confident0 Ų063.8 Ų63.80%033%0.328CS..EExtended strand (participates in β ladder)trans-116.7113.8173-177.50000110C411 N413 Y414 Y416 F422 H425C408-C411 HydrophobicContact CB-CB 4.06Å; C408-C411 PolarHBondContact O-N 3.5Å; C408-N413 WeakPolarHBondContact O-CA 3.27Å; C408-N413 PolarHBondContact O-N 2.97Å; C408-Y414 PolarHBondContact N-O 3.34Å; C408-Y414 PolarHBondContact O-N 2.79Å; C408-Y416 HydrophobicContact CB-CD2 4.41Å; C408-Y416 HydrophobicContact CB-CE2 3.97Å; C408-F422 HydrophobicContact CB-CE2 4.11Å; C408-H425 PolarHBondContact SG-NE2 3.23Å; C408-H425 VanDerWaalsContact SG-NE2 3.38Å
409E94.1Very high87.2Confident80 Ų8061.5 Ų61.537%0.37432%0.322SS..THydrogen-bonded Turntrans-66.5-41.7-178.7-163.8-170.7162.300111.5C411 G412 N413 T450 Q451 I452E409-C411 PolarHBondContact O-N 3.02Å; E409-C411 VanDerWaalsContact O-N 3.12Å; E409-G412 PolarHBondContact O-N 3.39Å; E409-N413 PolarHBondContact O-N 3.36Å; E409-T450 VanDerWaalsContact CB-O 3.24Å; E409-T450 WeakPolarHBondContact CB-O 3.27Å; E409-T450 PolarHBondContact N-O 2.93Å; E409-T450 VanDerWaalsContact N-O 3.15Å; E409-Q451 VanDerWaalsContact OE2-CA 3.31Å; E409-Q451 WeakPolarHBondContact OE2-CA 3.32Å; E409-I452 HydrophobicContact CG-CD1 4.16Å; E409-I452 HydrophobicContact CG-CG1 4.22Å; E409-I452 PolarHBondContact OE2-N 3.03Å
410I91Very high87.4Confident12 Ų1264.2 Ų64.26%0.06233%0.329CS..THydrogen-bonded Turntrans-57.8-27.6176.6-62.5162.3000112.1G412 M435 L438 V449 T450 I452 A455I410-G412 VanDerWaalsContact C-N 3.32Å; I410-G412 PolarHBondContact O-N 3.32Å; I410-M435 HydrophobicContact CD1-SD 3.98Å; I410-M435 HydrophobicContact CG2-CG 4.18Å; I410-M435 HydrophobicContact CG2-SD 4.03Å; I410-L438 HydrophobicContact CG1-CD1 4.35Å; I410-L438 HydrophobicContact CG2-CD1 4.2Å; I410-V449 WeakPolarHBondContact CD1-O 3.27Å; I410-T450 WeakPolarHBondContact CG1-O 3.49Å; I410-T450 PolarHBondContact N-O 3.45Å; I410-I452 HydrophobicContact CG1-CG1 3.87Å; I410-A455 HydrophobicContact CD1-CB 4.19Å
411C91Very high87.8Confident16 Ų1660.2 Ų60.211%0.10832%0.316CS..THydrogen-bonded Turntrans-89.215.5175.9-63.60000113.9C408 E409 R430C408-C411 HydrophobicContact CB-CB 4.06Å; C408-C411 PolarHBondContact O-N 3.5Å; E409-C411 PolarHBondContact O-N 3.02Å; E409-C411 VanDerWaalsContact O-N 3.12Å; C411-R430 HydrophobicContact CB-CG 4.49Å
412G88.9Confident88.3Confident68 Ų6860.9 Ų60.970%0.70132%0.317SS*.THydrogen-bonded Turntrans79.536.8-174.300000113.1E409 I410 Y414E409-G412 PolarHBondContact O-N 3.39Å; I410-G412 VanDerWaalsContact C-N 3.32Å; I410-G412 PolarHBondContact O-N 3.32Å; G412-Y414 PolarHBondContact O-N 3.43Å
413N90.3Very high88.8Confident101 Ų10164.9 Ų64.954%0.5433%0.334SS..SBendtrans56.534-175.4-154.521.6000113.7C408 E409C408-N413 WeakPolarHBondContact O-CA 3.27Å; C408-N413 PolarHBondContact O-N 2.97Å; E409-N413 PolarHBondContact O-N 3.36Å
414Y89.3Confident89.3Confident111 Ų11170.6 Ų70.644%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-70.5136.1-179.9-172-99.2000111.2N407 C408 G412 Y416 R430N407-Y414 WeakPolarHBondContact CA-O 3.5Å; C408-Y414 PolarHBondContact N-O 3.34Å; C408-Y414 PolarHBondContact O-N 2.79Å; G412-Y414 PolarHBondContact O-N 3.43Å; Y414-Y416 HydrophobicContact CD1-CD1 4.16Å; Y414-Y416 HydrophobicContact CD1-CD2 4.04Å; Y414-Y416 AromaticContact CD1-CE1 3.76Å; Y414-Y416 HydrophobicContact CD1-CE1 3.76Å; Y414-Y416 AromaticContact CD1-CE2 3.66Å; Y414-Y416 HydrophobicContact CD1-CE2 3.66Å; Y414-Y416 HydrophobicContact CD1-CG 4.29Å; Y414-Y416 AromaticContact CD1-CZ 3.5Å; Y414-Y416 VanDerWaalsContact CD1-CZ 3.5Å; Y414-Y416 HydrophobicContact CE1-CD1 4.08Å; Y414-Y416 AromaticContact CE1-CE1 3.79Å; Y414-Y416 HydrophobicContact CE1-CE1 3.79Å; Y414-Y416 HydrophobicContact CE1-CE2 4.49Å; Y414-R430 VanDerWaalsContact CE2-NH1 3.27Å
415T89.6Confident89.8Confident62 Ų6267.1 Ų67.138%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-91.8121-177.9-52.60000111.1N405 Y406 N407N405-T415 HydrophobicContact CB-CG2 3.67Å; Y406-T415 CarbonylContact O-C 3.55Å; N407-T415 WeakPolarHBondContact OD1-CG2 3.41Å; N407-T415 PolarHBondContact OD1-OG1 3.4Å
416Y88.4Confident90Very high19 Ų1963.6 Ų63.68%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-101.8135.1171.9-64.5-86000110.5Y406 C408 Y414 F422 H425Y406-Y416 PolarHBondContact N-O 3.06Å; Y406-Y416 PolarHBondContact O-N 3.34Å; C408-Y416 HydrophobicContact CB-CD2 4.41Å; C408-Y416 HydrophobicContact CB-CE2 3.97Å; Y414-Y416 HydrophobicContact CD1-CD1 4.16Å; Y414-Y416 HydrophobicContact CD1-CD2 4.04Å; Y414-Y416 AromaticContact CD1-CE1 3.76Å; Y414-Y416 HydrophobicContact CD1-CE1 3.76Å; Y414-Y416 AromaticContact CD1-CE2 3.66Å; Y414-Y416 HydrophobicContact CD1-CE2 3.66Å; Y414-Y416 HydrophobicContact CD1-CG 4.29Å; Y414-Y416 AromaticContact CD1-CZ 3.5Å; Y414-Y416 VanDerWaalsContact CD1-CZ 3.5Å; Y414-Y416 HydrophobicContact CE1-CD1 4.08Å; Y414-Y416 AromaticContact CE1-CE1 3.79Å; Y414-Y416 HydrophobicContact CE1-CE1 3.79Å; Y414-Y416 HydrophobicContact CE1-CE2 4.49Å; Y416-F422 AromaticContact CD2-CD2 3.74Å; Y416-F422 HydrophobicContact CD2-CD2 3.74Å; Y416-F422 HydrophobicContact CD2-CE2 4.15Å; Y416-F422 HydrophobicContact CG-CD2 4.08Å; Y416-H425 HydrophobicContact CD1-CB 3.99Å; Y416-H425 HydrophobicContact CE1-CB 3.41Å; Y416-H425 VanDerWaalsContact CE1-CB 3.41Å; Y416-H425 AromaticContact CE1-CG 3.92Å; Y416-H425 HydrophobicContact CE2-CB 4.04Å; Y416-H425 AromaticContact CE2-CD2 3.42Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.42Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.49Å; Y416-H425 AromaticContact CE2-CG 3.58Å; Y416-H425 AromaticContact CE2-NE2 3.91Å; Y416-H425 VanDerWaalsContact CZ-CB 3.43Å; Y416-H425 AromaticContact CZ-CD2 3.51Å; Y416-H425 AromaticContact CZ-CG 3.49Å; Y416-H425 VanDerWaalsContact CZ-CG 3.49Å; Y416-H425 PolarHBondContact OH-CD2 3.29Å
417R87.3Confident90Very high106 Ų10663.9 Ų63.940%0.433%0.333SS..EExtended strand (participates in β ladder)trans-92.1109.7177.9-69.1-179.7122.7-179.50.1110.1Y397Y397-R417 PolarHBondContact OH-NH2 3.26Å
418G88Confident89.9Confident1 Ų163.1 Ų63.11%0.0133%0.328CS..SBendtrans91.7152.5173.300000115.7G401 I404 K420 A421 F422G401-G418 WeakPolarHBondContact O-CA 3.48Å; I404-G418 PolarHBondContact O-N 3.02Å; G418-K420 PolarHBondContact O-N 2.95Å; G418-A421 PolarHBondContact O-N 3.38Å; G418-F422 WeakPolarHBondContact O-CB 3.11Å; G418-F422 PolarHBondContact O-N 3.19Å; G418-F422 VanDerWaalsContact O-N 3.11Å
419P87.4Confident89.8Confident45 Ų4572.1 Ų72.129%0.29236%0.362SS..Hα-helixtrans-64.1-37-172.6-20.831.1000113.7Y406 F422 Q423Y406-P419 HydrophobicContact CE2-CB 4.27Å; Y406-P419 HydrophobicContact CE2-CG 3.86Å; P419-F422 CarbonylContact O-C 3.49Å; P419-F422 PolarHBondContact O-N 2.99Å; P419-Q423 WeakPolarHBondContact O-CG 3.38Å; P419-Q423 PolarHBondContact O-N 3.15Å
420K87.1Confident89.5Confident178 Ų17874.1 Ų74.177%0.77437%0.366SS*.Hα-helixtrans-68.5-43.3-177.3-172178.7-179.4-179.20112.1G418 F422 Q423 R424G418-K420 PolarHBondContact O-N 2.95Å; K420-F422 VanDerWaalsContact C-N 3.3Å; K420-Q423 PolarHBondContact O-N 3.07Å; K420-R424 PolarHBondContact O-N 3.03Å; K420-R424 VanDerWaalsContact O-N 3.09Å
421A87.4Confident89.6Confident32 Ų3273.6 Ų73.626%0.26436%0.363SS..Hα-helixtrans-62.9-42.1174.100000110.3G418 Q423 R424 H425G418-A421 PolarHBondContact O-N 3.38Å; A421-Q423 VanDerWaalsContact C-N 3.32Å; A421-Q423 PolarHBondContact O-N 3.1Å; A421-R424 PolarHBondContact O-N 3.37Å; A421-H425 PolarHBondContact O-N 3.28Å
422F91.7Very high89.5Confident24 Ų2474 Ų7411%0.10537%0.367CS..Hα-helixtrans-67.3-24.6175.2-168.7-107.9000114.2Y406 C408 Y416 G418 P419 K420 H425 F426 T450Y406-F422 VanDerWaalsContact CB-CD2 3.4Å; Y406-F422 HydrophobicContact CD1-CD1 4.19Å; Y406-F422 HydrophobicContact CD1-CE1 4.31Å; Y406-F422 HydrophobicContact CD1-CG 4.49Å; Y406-F422 HydrophobicContact CD2-CB 4.25Å; Y406-F422 HydrophobicContact CD2-CG 4.48Å; Y406-F422 HydrophobicContact CG-CB 4.22Å; Y406-F422 HydrophobicContact CG-CD1 4.1Å; Y406-F422 HydrophobicContact CG-CD2 4.31Å; Y406-F422 AromaticContact CG-CG 3.95Å; Y406-F422 HydrophobicContact CG-CG 3.95Å; C408-F422 HydrophobicContact CB-CE2 4.11Å; Y416-F422 AromaticContact CD2-CD2 3.74Å; Y416-F422 HydrophobicContact CD2-CD2 3.74Å; Y416-F422 HydrophobicContact CD2-CE2 4.15Å; Y416-F422 HydrophobicContact CG-CD2 4.08Å; G418-F422 WeakPolarHBondContact O-CB 3.11Å; G418-F422 PolarHBondContact O-N 3.19Å; G418-F422 VanDerWaalsContact O-N 3.11Å; P419-F422 CarbonylContact O-C 3.49Å; P419-F422 PolarHBondContact O-N 2.99Å; K420-F422 VanDerWaalsContact C-N 3.3Å; F422-H425 AromaticContact CD2-CE1 3.44Å; F422-H425 VanDerWaalsContact CD2-CE1 3.44Å; F422-H425 WeakPolarHBondContact CD2-CE1 3.46Å; F422-H425 AromaticContact CD2-ND1 3.58Å; F422-H425 AromaticContact CE2-CE1 3.4Å; F422-H425 WeakPolarHBondContact CE2-CE1 3.44Å; F422-H425 AromaticContact CG-ND1 3.97Å; F422-H425 AromaticContact CZ-CE1 3.89Å; F422-H425 PolarHBondContact O-CE1 2.87Å; F422-H425 PolarHBondContact O-ND1 3.32Å; F422-F426 HydrophobicContact CD1-CE2 4.38Å; F422-F426 HydrophobicContact CE1-CE2 4.2Å; F422-F426 HydrophobicContact CE1-CZ 4.2Å; F422-F426 HydrophobicContact CZ-CZ 4.37Å; F422-F426 WeakPolarHBondContact O-CD2 3.36Å; F422-F426 WeakPolarHBondContact O-CE2 3.47Å; F422-T450 HydrophobicContact CE1-CG2 4.06Å; F422-T450 HydrophobicContact CE2-CG2 4.44Å; F422-T450 HydrophobicContact CZ-CG2 3.45Å; F422-T450 VanDerWaalsContact CZ-CG2 3.45Å
423Q90.3Very high89.6Confident128 Ų12874.5 Ų74.560%0.59835%0.351SS*.Hα-helixtrans-79.2-36.7172.1-76.2174.4-6.700111.6P419 K420 A421 H425P419-Q423 WeakPolarHBondContact O-CG 3.38Å; P419-Q423 PolarHBondContact O-N 3.15Å; K420-Q423 PolarHBondContact O-N 3.07Å; A421-Q423 VanDerWaalsContact C-N 3.32Å; A421-Q423 PolarHBondContact O-N 3.1Å; Q423-H425 VanDerWaalsContact C-N 3.34Å; Q423-H425 PolarHBondContact O-N 3Å
424R89.6Confident89.7Confident171 Ų17170.3 Ų70.365%0.64533%0.332SS*.Hα-helixtrans-67.4-34.8179.9-166.5174.866.3-165.5-2.6112.4K420 A421 F426 A427 E428K420-R424 PolarHBondContact O-N 3.03Å; K420-R424 VanDerWaalsContact O-N 3.09Å; A421-R424 PolarHBondContact O-N 3.37Å; R424-F426 PolarHBondContact O-N 3.14Å; R424-F426 VanDerWaalsContact O-N 3.08Å; R424-A427 PolarHBondContact O-N 3.32Å; R424-E428 IonicContact CZ-OE1 3.54Å; R424-E428 IonicContact NE-OE1 3.94Å; R424-E428 PolarHBondContact NE-OE1 3.3Å; R424-E428 IonicContact NH2-OE1 2.87Å
425H93.4Very high89.8Confident0 Ų065 Ų650%031%0.311CS..G310 helixtrans-59.8-25.1-174.993.2-79.9000114.5C408 Y416 A421 F422 Q423 A427 E428 H431C408-H425 PolarHBondContact SG-NE2 3.23Å; C408-H425 VanDerWaalsContact SG-NE2 3.38Å; Y416-H425 HydrophobicContact CD1-CB 3.99Å; Y416-H425 HydrophobicContact CE1-CB 3.41Å; Y416-H425 VanDerWaalsContact CE1-CB 3.41Å; Y416-H425 AromaticContact CE1-CG 3.92Å; Y416-H425 HydrophobicContact CE2-CB 4.04Å; Y416-H425 AromaticContact CE2-CD2 3.42Å; Y416-H425 VanDerWaalsContact CE2-CD2 3.42Å; Y416-H425 WeakPolarHBondContact CE2-CD2 3.49Å; Y416-H425 AromaticContact CE2-CG 3.58Å; Y416-H425 AromaticContact CE2-NE2 3.91Å; Y416-H425 VanDerWaalsContact CZ-CB 3.43Å; Y416-H425 AromaticContact CZ-CD2 3.51Å; Y416-H425 AromaticContact CZ-CG 3.49Å; Y416-H425 VanDerWaalsContact CZ-CG 3.49Å; Y416-H425 PolarHBondContact OH-CD2 3.29Å; A421-H425 PolarHBondContact O-N 3.28Å; F422-H425 AromaticContact CD2-CE1 3.44Å; F422-H425 VanDerWaalsContact CD2-CE1 3.44Å; F422-H425 WeakPolarHBondContact CD2-CE1 3.46Å; F422-H425 AromaticContact CD2-ND1 3.58Å; F422-H425 AromaticContact CE2-CE1 3.4Å; F422-H425 WeakPolarHBondContact CE2-CE1 3.44Å; F422-H425 AromaticContact CG-ND1 3.97Å; F422-H425 AromaticContact CZ-CE1 3.89Å; F422-H425 PolarHBondContact O-CE1 2.87Å; F422-H425 PolarHBondContact O-ND1 3.32Å; Q423-H425 VanDerWaalsContact C-N 3.34Å; Q423-H425 PolarHBondContact O-N 3Å; H425-A427 PolarHBondContact O-N 3.41Å; H425-E428 WeakPolarHBondContact O-CB 3.49Å; H425-E428 PolarHBondContact O-N 3.16Å; H425-H431 AromaticContact CD2-ND1 3.65Å; H425-H431 AromaticContact NE2-ND1 3.45Å; H425-H431 PolarHBondContact NE2-ND1 3Å; H425-H431 WeakPolarHBondContact O-CB 3.11Å
426F91.5Very high89.9Confident19 Ų1970.4 Ų70.48%0.08332%0.324CS..G310 helixtrans-60.8-28.6176.7-71.5-71.3000113.2F422 R424 H431 N442 V449 T450F422-F426 HydrophobicContact CD1-CE2 4.38Å; F422-F426 HydrophobicContact CE1-CE2 4.2Å; F422-F426 HydrophobicContact CE1-CZ 4.2Å; F422-F426 HydrophobicContact CZ-CZ 4.37Å; F422-F426 WeakPolarHBondContact O-CD2 3.36Å; F422-F426 WeakPolarHBondContact O-CE2 3.47Å; R424-F426 PolarHBondContact O-N 3.14Å; R424-F426 VanDerWaalsContact O-N 3.08Å; F426-H431 AromaticContact CD1-CD2 4Å; F426-H431 AromaticContact CD1-CE1 3.55Å; F426-H431 AromaticContact CD1-NE2 3.48Å; F426-H431 WeakPolarHBondContact CD1-NE2 3.44Å; F426-H431 AromaticContact CE1-CE1 3.69Å; F426-H431 AromaticContact CE1-NE2 3.99Å; F426-N442 PolarHBondContact O-ND2 3.43Å; F426-V449 WeakPolarHBondContact CE1-O 3.4Å; F426-T450 HydrophobicContact CE1-CG2 4.42Å; F426-T450 HydrophobicContact CZ-CG2 3.97Å
427A88.8Confident90Very high88 Ų8874 Ų7473%0.72735%0.352SS*.G310 helixtrans-95.7-4.5175.800000113R424 H425R424-A427 PolarHBondContact O-N 3.32Å; H425-A427 PolarHBondContact O-N 3.41Å
428E90.4Very high90.1Very high65 Ų6572 Ų7230%0.30435%0.348SS..SBendtrans-80.3154.1-179.3-68.9173.4-176.100111.2R424 H425 R430 H431 A432R424-E428 IonicContact CZ-OE1 3.54Å; R424-E428 IonicContact NE-OE1 3.94Å; R424-E428 PolarHBondContact NE-OE1 3.3Å; R424-E428 IonicContact NH2-OE1 2.87Å; H425-E428 WeakPolarHBondContact O-CB 3.49Å; H425-E428 PolarHBondContact O-N 3.16Å; E428-R430 VanDerWaalsContact C-N 3.27Å; E428-R430 PolarHBondContact O-N 2.89Å; E428-H431 PolarHBondContact O-N 3.2Å; E428-A432 PolarHBondContact O-N 3.12Å; E428-A432 VanDerWaalsContact O-N 3.11Å
429W89.8Confident90.2Very high189 Ų18974.4 Ų74.472%0.71637%0.374SS*.Hα-helixtrans-56.4-38.6-173.6178.793.3000113.2H431 A432 H433W429-H431 PolarHBondContact O-N 3.03Å; W429-A432 PolarHBondContact O-N 3.02Å; W429-H433 HydrophobicContact CE3-CB 4.49Å; W429-H433 HydrophobicContact CH2-CB 4.38Å; W429-H433 HydrophobicContact CZ2-CB 4.4Å; W429-H433 HydrophobicContact CZ3-CB 4.43Å; W429-H433 VanDerWaalsContact O-CB 3.3Å; W429-H433 WeakPolarHBondContact O-CB 3.02Å; W429-H433 PolarHBondContact O-N 3.18Å
430R89.3Confident90.3Very high122 Ų12272.6 Ų72.646%0.4636%0.361SS..Hα-helixtrans-62.1-45.4-178.2-177.6179.1-75.9-163-3111.9C411 Y414 E428 H433 G434C411-R430 HydrophobicContact CB-CG 4.49Å; Y414-R430 VanDerWaalsContact CE2-NH1 3.27Å; E428-R430 VanDerWaalsContact C-N 3.27Å; E428-R430 PolarHBondContact O-N 2.89Å; R430-H433 PolarHBondContact O-N 3.47Å; R430-G434 PolarHBondContact O-N 2.96Å
431H91.3Very high90.3Very high1 Ų166.9 Ų66.91%0.00534%0.342CS..Hα-helixtrans-69.1-42.2178-170.289.1000111.1H425 F426 E428 W429 H433 G434 M435H425-H431 AromaticContact CD2-ND1 3.65Å; H425-H431 AromaticContact NE2-ND1 3.45Å; H425-H431 PolarHBondContact NE2-ND1 3Å; H425-H431 WeakPolarHBondContact O-CB 3.11Å; F426-H431 AromaticContact CD1-CD2 4Å; F426-H431 AromaticContact CD1-CE1 3.55Å; F426-H431 AromaticContact CD1-NE2 3.48Å; F426-H431 WeakPolarHBondContact CD1-NE2 3.44Å; F426-H431 AromaticContact CE1-CE1 3.69Å; F426-H431 AromaticContact CE1-NE2 3.99Å; E428-H431 PolarHBondContact O-N 3.2Å; W429-H431 PolarHBondContact O-N 3.03Å; H431-H433 VanDerWaalsContact C-N 3.27Å; H431-H433 PolarHBondContact O-N 2.93Å; H431-G434 PolarHBondContact O-N 3.29Å; H431-M435 WeakPolarHBondContact O-CG 3.42Å; H431-M435 PolarHBondContact O-N 3.1Å
432A90Very high90.3Very high24 Ų2468.6 Ų68.620%0.19835%0.347CS..Hα-helixtrans-60.2-37.7175.300000112.4E428 W429 R436 N442E428-A432 PolarHBondContact O-N 3.12Å; E428-A432 VanDerWaalsContact O-N 3.11Å; W429-A432 PolarHBondContact O-N 3.02Å; A432-R436 WeakPolarHBondContact O-CB 3.48Å; A432-R436 PolarHBondContact O-N 3.35Å; A432-N442 WeakPolarHBondContact CB-ND2 3.46Å
433H90.9Very high90.1Very high78 Ų7870.2 Ų70.236%0.36136%0.359SS..Hα-helixtrans-68.2-44.1175.1-172.174.3000111.6W429 R430 H431 M435 R436 C437W429-H433 HydrophobicContact CE3-CB 4.49Å; W429-H433 HydrophobicContact CH2-CB 4.38Å; W429-H433 HydrophobicContact CZ2-CB 4.4Å; W429-H433 HydrophobicContact CZ3-CB 4.43Å; W429-H433 VanDerWaalsContact O-CB 3.3Å; W429-H433 WeakPolarHBondContact O-CB 3.02Å; W429-H433 PolarHBondContact O-N 3.18Å; R430-H433 PolarHBondContact O-N 3.47Å; H431-H433 VanDerWaalsContact C-N 3.27Å; H431-H433 PolarHBondContact O-N 2.93Å; H433-M435 VanDerWaalsContact C-N 3.34Å; H433-M435 PolarHBondContact O-N 3.22Å; H433-R436 WeakPolarHBondContact O-CB 3.47Å; H433-R436 PolarHBondContact O-N 3.03Å; H433-R436 VanDerWaalsContact O-N 3.11Å; H433-C437 PolarHBondContact O-N 3.38Å; H433-C437 PolarHBondContact O-SG 3.46Å; H433-C437 VanDerWaalsContact O-SG 3.35Å
434G92.1Very high89.9Confident13 Ų1368.6 Ų68.613%0.13437%0.368CS..Hα-helixtrans-56.2-46.6173.500000112.5R430 H431 R436 C437 L438R430-G434 PolarHBondContact O-N 2.96Å; H431-G434 PolarHBondContact O-N 3.29Å; G434-R436 VanDerWaalsContact C-N 3.33Å; G434-R436 PolarHBondContact O-N 3Å; G434-C437 PolarHBondContact O-N 3.45Å; G434-L438 WeakPolarHBondContact O-CG 3.35Å; G434-L438 PolarHBondContact O-N 3.3Å
435M91.3Very high89.7Confident1 Ų166.3 Ų66.31%0.00536%0.364CS..Hα-helixtrans-61.7-39.2174.8-69.6-65.4-77.800112.7I410 H431 H433 L438 G439 I440 N442 F446I410-M435 HydrophobicContact CD1-SD 3.98Å; I410-M435 HydrophobicContact CG2-CG 4.18Å; I410-M435 HydrophobicContact CG2-SD 4.03Å; H431-M435 WeakPolarHBondContact O-CG 3.42Å; H431-M435 PolarHBondContact O-N 3.1Å; H433-M435 VanDerWaalsContact C-N 3.34Å; H433-M435 PolarHBondContact O-N 3.22Å; M435-L438 PolarHBondContact O-N 2.92Å; M435-G439 PolarHBondContact O-N 3.49Å; M435-I440 CarbonylContact C-O 3.45Å; M435-I440 HydrophobicContact CE-CB 3.91Å; M435-I440 HydrophobicContact CE-CG2 3.51Å; M435-I440 PolarHBondContact O-N 3.49Å; M435-I440 VanDerWaalsContact O-O 3.1Å; M435-N442 HydrophobicContact CB-CB 4.41Å; M435-F446 HydrophobicContact CE-CB 3.69Å; M435-F446 HydrophobicContact CE-CD1 3.87Å; M435-F446 HydrophobicContact CE-CD2 4.05Å; M435-F446 HydrophobicContact CE-CG 3.59Å
436R91.1Very high89.5Confident174 Ų17466.4 Ų66.466%0.65737%0.365SS*.Hα-helixtrans-65.1-40.1176.1-173.9-178.4-68.2155.5-0.2112.1A432 H433 G434 L438 G439A432-R436 WeakPolarHBondContact O-CB 3.48Å; A432-R436 PolarHBondContact O-N 3.35Å; H433-R436 WeakPolarHBondContact O-CB 3.47Å; H433-R436 PolarHBondContact O-N 3.03Å; H433-R436 VanDerWaalsContact O-N 3.11Å; G434-R436 VanDerWaalsContact C-N 3.33Å; G434-R436 PolarHBondContact O-N 3Å; R436-L438 PolarHBondContact O-N 3.02Å; R436-G439 PolarHBondContact O-N 3.26Å
437C91Very high89.2Confident96 Ų9668 Ų6865%0.64938%0.381SS*.Hα-helixtrans-63.7-29.7175.1-68.40000112.4H433 G434 G439H433-C437 PolarHBondContact O-N 3.38Å; H433-C437 PolarHBondContact O-SG 3.46Å; H433-C437 VanDerWaalsContact O-SG 3.35Å; G434-C437 PolarHBondContact O-N 3.45Å; C437-G439 VanDerWaalsContact C-N 3.26Å; C437-G439 PolarHBondContact O-N 2.86Å
438L90.3Very high89.2Confident62 Ų6269.1 Ų69.133%0.32538%0.375SS..THydrogen-bonded Turntrans-79.2-5172.2-62.9171.1000113.4I410 G434 M435 R436 I440 I452I410-L438 HydrophobicContact CG1-CD1 4.35Å; I410-L438 HydrophobicContact CG2-CD1 4.2Å; G434-L438 WeakPolarHBondContact O-CG 3.35Å; G434-L438 PolarHBondContact O-N 3.3Å; M435-L438 PolarHBondContact O-N 2.92Å; R436-L438 PolarHBondContact O-N 3.02Å; L438-I440 VanDerWaalsContact C-N 3.28Å; L438-I440 HydrophobicContact CB-CD1 4.15Å; L438-I440 HydrophobicContact CB-CG1 4.13Å; L438-I440 PolarHBondContact O-N 3.26Å; L438-I452 HydrophobicContact CD1-CG1 4.4Å; L438-I452 HydrophobicContact CD1-CG2 4.07Å; L438-I452 HydrophobicContact CD2-CG2 3.68Å
439G88.7Confident89.2Confident53 Ų5367.1 Ų67.155%0.54637%0.367SS..THydrogen-bonded Turntrans71.419.8-176.200000114.1M435 R436 C437M435-G439 PolarHBondContact O-N 3.49Å; R436-G439 PolarHBondContact O-N 3.26Å; C437-G439 VanDerWaalsContact C-N 3.26Å; C437-G439 PolarHBondContact O-N 2.86Å
440I90.8Very high89.2Confident6 Ų659.9 Ų59.93%0.03134%0.344CS..  trans-104.5129.2-179-54.8176.4000109.2M435 L438 N442 F446 A455 V456 W459M435-I440 CarbonylContact C-O 3.45Å; M435-I440 HydrophobicContact CE-CB 3.91Å; M435-I440 HydrophobicContact CE-CG2 3.51Å; M435-I440 PolarHBondContact O-N 3.49Å; M435-I440 VanDerWaalsContact O-O 3.1Å; L438-I440 VanDerWaalsContact C-N 3.28Å; L438-I440 HydrophobicContact CB-CD1 4.15Å; L438-I440 HydrophobicContact CB-CG1 4.13Å; L438-I440 PolarHBondContact O-N 3.26Å; I440-N442 PolarHBondContact O-N 3Å; I440-F446 HydrophobicContact CG2-CD1 4.23Å; I440-F446 HydrophobicContact CG2-CD2 4.09Å; I440-F446 HydrophobicContact CG2-CE1 3.71Å; I440-F446 HydrophobicContact CG2-CE2 3.55Å; I440-F446 HydrophobicContact CG2-CG 4.41Å; I440-F446 HydrophobicContact CG2-CZ 3.34Å; I440-A455 HydrophobicContact CD1-CB 3.95Å; I440-V456 HydrophobicContact CD1-CG2 4.2Å; I440-W459 HydrophobicContact CD1-CB 4.07Å; I440-W459 HydrophobicContact CG1-CB 4.1Å; I440-W459 HydrophobicContact CG1-CG 4.01Å; I440-W459 HydrophobicContact CG2-CB 4.17Å; I440-W459 HydrophobicContact CG2-CD2 4.28Å; I440-W459 HydrophobicContact CG2-CG 4.14Å
441P87.4Confident89.4Confident58 Ų5858.3 Ų58.338%0.37734%0.342SS..  trans-69.6128175.828.3-33.3000111T443 F446 W459P441-T443 HydrophobicContact CB-CG2 4.29Å; P441-T443 PolarHBondContact O-N 3.18Å; P441-F446 WeakPolarHBondContact O-CD2 3.16Å; P441-W459 HydrophobicContact CG-CE3 4.35Å; P441-W459 HydrophobicContact CG-CH2 3.54Å; P441-W459 HydrophobicContact CG-CZ2 4.15Å; P441-W459 HydrophobicContact CG-CZ3 3.65Å
442N86.3Confident89.4Confident69 Ų6960.9 Ų60.937%0.36936%0.355SS..  trans-72.191.2178.8-168.615.3000110.8F426 A432 M435 I440F426-N442 PolarHBondContact O-ND2 3.43Å; A432-N442 WeakPolarHBondContact CB-ND2 3.46Å; M435-N442 HydrophobicContact CB-CB 4.41Å; I440-N442 PolarHBondContact O-N 3Å
443T87.3Confident89.5Confident57 Ų5767 Ų6735%0.3538%0.379SS..  trans-121.6162.3-179.6600000110.2P441 H445 F446P441-T443 HydrophobicContact CB-CG2 4.29Å; P441-T443 PolarHBondContact O-N 3.18Å; T443-H445 PolarHBondContact O-N 3.08Å; T443-F446 PolarHBondContact O-N 3.47Å; T443-F446 WeakPolarHBondContact OG1-CD2 3.29Å
444A86.3Confident89.6Confident95 Ų9567.3 Ų67.379%0.78538%0.384SS*.G310 helixtrans-57.6-19.9-178.200000114.4F446 A447A444-F446 PolarHBondContact O-N 3.14Å; A444-A447 WeakPolarHBondContact O-CB 3.31Å; A444-A447 PolarHBondContact O-N 3.42Å
445H86.2Confident89.6Confident122 Ų12266.7 Ų66.757%0.56538%0.378SS*.G310 helixtrans-61.4-23.4174.1-61.6-67.9000113.6T443 L462T443-H445 PolarHBondContact O-N 3.08Å; H445-L462 HydrophobicContact CB-CD1 4.12Å
446F88.7Confident89.6Confident2 Ų269.8 Ų69.81%0.00940%0.396CS..G310 helixtrans-100.39.5-179.4-59.8-79.8000113.1M435 I440 P441 T443 A444 N448 V449 L458 W459 L462M435-F446 HydrophobicContact CE-CB 3.69Å; M435-F446 HydrophobicContact CE-CD1 3.87Å; M435-F446 HydrophobicContact CE-CD2 4.05Å; M435-F446 HydrophobicContact CE-CG 3.59Å; I440-F446 HydrophobicContact CG2-CD1 4.23Å; I440-F446 HydrophobicContact CG2-CD2 4.09Å; I440-F446 HydrophobicContact CG2-CE1 3.71Å; I440-F446 HydrophobicContact CG2-CE2 3.55Å; I440-F446 HydrophobicContact CG2-CG 4.41Å; I440-F446 HydrophobicContact CG2-CZ 3.34Å; P441-F446 WeakPolarHBondContact O-CD2 3.16Å; T443-F446 PolarHBondContact O-N 3.47Å; T443-F446 WeakPolarHBondContact OG1-CD2 3.29Å; A444-F446 PolarHBondContact O-N 3.14Å; F446-N448 PolarHBondContact O-N 3.28Å; F446-V449 PolarHBondContact O-N 3.37Å; F446-L458 HydrophobicContact CD1-CD2 3.83Å; F446-L458 HydrophobicContact CD1-CG 4.45Å; F446-L458 HydrophobicContact CE1-CB 4.15Å; F446-L458 HydrophobicContact CE1-CD2 3.89Å; F446-L458 HydrophobicContact CE1-CG 4.01Å; F446-W459 HydrophobicContact CE1-CB 4.16Å; F446-W459 HydrophobicContact CE2-CE3 4.39Å; F446-W459 HydrophobicContact CZ-CB 4Å; F446-W459 HydrophobicContact CZ-CD2 4.47Å; F446-W459 AromaticContact CZ-CE3 3.9Å; F446-W459 HydrophobicContact CZ-CE3 3.9Å; F446-L462 HydrophobicContact CE2-CD1 4.35Å; F446-L462 HydrophobicContact CZ-CD1 3.91Å
447A86.1Confident89.7Confident53 Ų5364.3 Ų64.344%0.43839%0.385SS..THydrogen-bonded Turntrans-61.1135.9173.700000110.4A444 V449A444-A447 WeakPolarHBondContact O-CB 3.31Å; A444-A447 PolarHBondContact O-N 3.42Å; A447-V449 PolarHBondContact O-N 2.88Å
448N88.1Confident89.6Confident111 Ų11162.5 Ų62.559%0.59437%0.368SS*.THydrogen-bonded Turntrans69.35.8-175.8-51.5-46.1000116.1F446F446-N448 PolarHBondContact O-N 3.28Å
449V90.3Very high89.7Confident24 Ų2462.8 Ų62.815%0.14537%0.365CS..  trans-87.6117.7173.8-174.50000109.3I410 F426 F446 A447 D454 A455 L458I410-V449 WeakPolarHBondContact CD1-O 3.27Å; F426-V449 WeakPolarHBondContact CE1-O 3.4Å; F446-V449 PolarHBondContact O-N 3.37Å; A447-V449 PolarHBondContact O-N 2.88Å; V449-D454 HydrophobicContact CG1-CB 3.96Å; V449-A455 HydrophobicContact CG1-CB 3.81Å; V449-L458 HydrophobicContact CG2-CD2 4.2Å
450T90.7Very high89.8Confident36 Ų3663.5 Ų63.522%0.22136%0.362CS..  trans-114.1-27.7-171.9590000113.2E409 I410 F422 F426E409-T450 VanDerWaalsContact CB-O 3.24Å; E409-T450 WeakPolarHBondContact CB-O 3.27Å; E409-T450 PolarHBondContact N-O 2.93Å; E409-T450 VanDerWaalsContact N-O 3.15Å; I410-T450 WeakPolarHBondContact CG1-O 3.49Å; I410-T450 PolarHBondContact N-O 3.45Å; F422-T450 HydrophobicContact CE1-CG2 4.06Å; F422-T450 HydrophobicContact CE2-CG2 4.44Å; F422-T450 HydrophobicContact CZ-CG2 3.45Å; F422-T450 VanDerWaalsContact CZ-CG2 3.45Å; F426-T450 HydrophobicContact CE1-CG2 4.42Å; F426-T450 HydrophobicContact CZ-CG2 3.97Å
451Q93.2Very high89.8Confident89 Ų8969.7 Ų69.742%0.41639%0.388SS..SBendtrans-87.2141.8178.5-63.3-173.812.900110.5E409 D454 A455E409-Q451 VanDerWaalsContact OE2-CA 3.31Å; E409-Q451 WeakPolarHBondContact OE2-CA 3.32Å; Q451-D454 HydrophobicContact CB-CB 4.29Å; Q451-A455 PolarHBondContact O-N 2.85Å
452I91.1Very high89.8Confident56 Ų5668.3 Ų68.329%0.28738%0.378SS..Hα-helixtrans-68.7-41.1-177.4-64.3172.7000110.3E409 I410 L438 D454 A455 V456E409-I452 HydrophobicContact CG-CD1 4.16Å; E409-I452 HydrophobicContact CG-CG1 4.22Å; E409-I452 PolarHBondContact OE2-N 3.03Å; I410-I452 HydrophobicContact CG1-CG1 3.87Å; L438-I452 HydrophobicContact CD1-CG1 4.4Å; L438-I452 HydrophobicContact CD1-CG2 4.07Å; L438-I452 HydrophobicContact CD2-CG2 3.68Å; I452-D454 PolarHBondContact O-N 3.34Å; I452-A455 PolarHBondContact O-N 3.38Å; I452-V456 HydrophobicContact CG2-CG2 4.41Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 2.71Å
453E92.7Very high89.8Confident151 Ų15171.4 Ų71.471%0.70639%0.388SS*.Hα-helixtrans-60.2-45.5-179.2-60.8-177.1176.800112A455 V456 S457E453-A455 PolarHBondContact O-N 2.9Å; E453-V456 PolarHBondContact O-N 2.88Å; E453-S457 WeakPolarHBondContact O-CB 3.25Å; E453-S457 PolarHBondContact O-N 2.92Å
454D92.2Very high89.7Confident86 Ų8672.1 Ų72.146%0.4640%0.395SS..Hα-helixtrans-63.6-41.9178.1-72-23.7000112V449 Q451 I452 S457 L458V449-D454 HydrophobicContact CG1-CB 3.96Å; Q451-D454 HydrophobicContact CB-CB 4.29Å; I452-D454 PolarHBondContact O-N 3.34Å; D454-S457 PolarHBondContact O-N 3.04Å; D454-L458 VanDerWaalsContact O-CB 3.27Å; D454-L458 WeakPolarHBondContact O-CB 3.45Å; D454-L458 PolarHBondContact O-N 3.48Å
455A91.6Very high89.7Confident0 Ų072.9 Ų72.90%038%0.383CS..Hα-helixtrans-63-44.4178.300000111.7I410 I440 V449 Q451 I452 E453 L458 W459I410-A455 HydrophobicContact CD1-CB 4.19Å; I440-A455 HydrophobicContact CD1-CB 3.95Å; V449-A455 HydrophobicContact CG1-CB 3.81Å; Q451-A455 PolarHBondContact O-N 2.85Å; I452-A455 PolarHBondContact O-N 3.38Å; E453-A455 PolarHBondContact O-N 2.9Å; A455-L458 PolarHBondContact O-N 3.25Å; A455-W459 WeakPolarHBondContact O-CB 3.15Å; A455-W459 PolarHBondContact O-N 3.17Å
456V91.6Very high89.5Confident65 Ų6573.3 Ų73.339%0.39438%0.383SS..Hα-helixtrans-67.5-40.8178.6174.70000111.5I440 I452 E453 W459 S460I440-V456 HydrophobicContact CD1-CG2 4.2Å; I452-V456 HydrophobicContact CG2-CG2 4.41Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 2.71Å; E453-V456 PolarHBondContact O-N 2.88Å; V456-W459 PolarHBondContact O-N 3.26Å; V456-S460 WeakPolarHBondContact O-CB 3.25Å; V456-S460 PolarHBondContact O-N 3.08Å; V456-S460 PolarHBondContact O-OG 2.93Å
457S92.6Very high89Confident60 Ų6076.1 Ų76.142%0.4240%0.403SS..Hα-helixtrans-62.8-46.2176.1-177.70000111.7E453 D454 S460 K461E453-S457 WeakPolarHBondContact O-CB 3.25Å; E453-S457 PolarHBondContact O-N 2.92Å; D454-S457 PolarHBondContact O-N 3.04Å; S457-S460 PolarHBondContact O-N 3.05Å; S457-K461 PolarHBondContact O-N 2.94Å; S457-K461 VanDerWaalsContact O-N 3.08Å
458L90.9Very high88.5Confident57 Ų5777.7 Ų77.730%0.29841%0.411SS..Hα-helixtrans-63.5-42.9177.2-176.462.1000111.6F446 V449 D454 A455 S460 K461 L462F446-L458 HydrophobicContact CD1-CD2 3.83Å; F446-L458 HydrophobicContact CD1-CG 4.45Å; F446-L458 HydrophobicContact CE1-CB 4.15Å; F446-L458 HydrophobicContact CE1-CD2 3.89Å; F446-L458 HydrophobicContact CE1-CG 4.01Å; V449-L458 HydrophobicContact CG2-CD2 4.2Å; D454-L458 VanDerWaalsContact O-CB 3.27Å; D454-L458 WeakPolarHBondContact O-CB 3.45Å; D454-L458 PolarHBondContact O-N 3.48Å; A455-L458 PolarHBondContact O-N 3.25Å; L458-S460 VanDerWaalsContact C-N 3.35Å; L458-S460 PolarHBondContact O-N 3.26Å; L458-K461 PolarHBondContact O-N 3.02Å; L458-L462 HydrophobicContact CG-CD1 4.17Å; L458-L462 WeakPolarHBondContact O-CG 3.12Å; L458-L462 PolarHBondContact O-N 2.91Å
459W91.1Very high88Confident69 Ų6979.9 Ų79.926%0.26142%0.417SS..Hα-helixtrans-63-41.2176.8178.5-129.5000112.3I440 P441 F446 A455 V456 K461 L462 K463I440-W459 HydrophobicContact CD1-CB 4.07Å; I440-W459 HydrophobicContact CG1-CB 4.1Å; I440-W459 HydrophobicContact CG1-CG 4.01Å; I440-W459 HydrophobicContact CG2-CB 4.17Å; I440-W459 HydrophobicContact CG2-CD2 4.28Å; I440-W459 HydrophobicContact CG2-CG 4.14Å; P441-W459 HydrophobicContact CG-CE3 4.35Å; P441-W459 HydrophobicContact CG-CH2 3.54Å; P441-W459 HydrophobicContact CG-CZ2 4.15Å; P441-W459 HydrophobicContact CG-CZ3 3.65Å; F446-W459 HydrophobicContact CE1-CB 4.16Å; F446-W459 HydrophobicContact CE2-CE3 4.39Å; F446-W459 HydrophobicContact CZ-CB 4Å; F446-W459 HydrophobicContact CZ-CD2 4.47Å; F446-W459 AromaticContact CZ-CE3 3.9Å; F446-W459 HydrophobicContact CZ-CE3 3.9Å; A455-W459 WeakPolarHBondContact O-CB 3.15Å; A455-W459 PolarHBondContact O-N 3.17Å; V456-W459 PolarHBondContact O-N 3.26Å; W459-K461 VanDerWaalsContact C-N 3.34Å; W459-K461 PolarHBondContact O-N 3.17Å; W459-L462 HydrophobicContact CE3-CB 4.33Å; W459-L462 PolarHBondContact O-N 3.3Å; W459-K463 VanDerWaalsContact O-CB 3.27Å; W459-K463 WeakPolarHBondContact O-CB 3.49Å; W459-K463 PolarHBondContact O-N 3.43Å
460S90.2Very high87.3Confident68 Ų6887.9 Ų87.948%0.47645%0.445SS..Hα-helixtrans-61.8-42176.9-60.50000111.8V456 S457 L458 S464V456-S460 WeakPolarHBondContact O-CB 3.25Å; V456-S460 PolarHBondContact O-N 3.08Å; V456-S460 PolarHBondContact O-OG 2.93Å; S457-S460 PolarHBondContact O-N 3.05Å; L458-S460 VanDerWaalsContact C-N 3.35Å; L458-S460 PolarHBondContact O-N 3.26Å; S460-S464 WeakPolarHBondContact O-CB 3.48Å; S460-S464 PolarHBondContact O-N 3.27Å
461K90.6Very high86.6Confident135 Ų13593.1 Ų93.159%0.58746%0.461SS*.Hα-helixtrans-63.5-48174.2-72.5-179.8-176.9175.60112.2S457 L458 W459 K463 S464 Q465S457-K461 PolarHBondContact O-N 2.94Å; S457-K461 VanDerWaalsContact O-N 3.08Å; L458-K461 PolarHBondContact O-N 3.02Å; W459-K461 VanDerWaalsContact C-N 3.34Å; W459-K461 PolarHBondContact O-N 3.17Å; K461-K463 VanDerWaalsContact C-N 3.32Å; K461-K463 PolarHBondContact O-N 3.31Å; K461-S464 WeakPolarHBondContact O-CB 3.49Å; K461-S464 PolarHBondContact O-N 3.47Å; K461-Q465 PolarHBondContact O-N 2.97Å
462L87.7Confident85.7Confident29 Ų2993.5 Ų93.515%0.15246%0.462CS..Hα-helixtrans-62.9-38.8178.9-75171.5000112.2H445 F446 L458 W459 K466H445-L462 HydrophobicContact CB-CD1 4.12Å; F446-L462 HydrophobicContact CE2-CD1 4.35Å; F446-L462 HydrophobicContact CZ-CD1 3.91Å; L458-L462 HydrophobicContact CG-CD1 4.17Å; L458-L462 WeakPolarHBondContact O-CG 3.12Å; L458-L462 PolarHBondContact O-N 2.91Å; W459-L462 HydrophobicContact CE3-CB 4.33Å; W459-L462 PolarHBondContact O-N 3.3Å; L462-K466 WeakPolarHBondContact O-CB 3.41Å; L462-K466 WeakPolarHBondContact O-CG 3.43Å; L462-K466 PolarHBondContact O-N 3.38Å
463K86.9Confident84.8Confident134 Ų13493 Ų9358%0.58346%0.463SS*.Hα-helixtrans-65.7-42.2176.3-169.5178.3-177.6-177.40111.2W459 K461 S467W459-K463 VanDerWaalsContact O-CB 3.27Å; W459-K463 WeakPolarHBondContact O-CB 3.49Å; W459-K463 PolarHBondContact O-N 3.43Å; K461-K463 VanDerWaalsContact C-N 3.32Å; K461-K463 PolarHBondContact O-N 3.31Å; K463-S467 VanDerWaalsContact O-CB 3.27Å; K463-S467 WeakPolarHBondContact O-CB 3.48Å; K463-S467 PolarHBondContact O-N 3.39Å; K463-S467 PolarHBondContact O-OG 3.44Å
464S86.2Confident83.7Confident72 Ų7290.2 Ų90.250%0.50345%0.453SS..Hα-helixtrans-61.3-51.2175-174.60000111.4S460 K461 K466 S467 S468S460-S464 WeakPolarHBondContact O-CB 3.48Å; S460-S464 PolarHBondContact O-N 3.27Å; K461-S464 WeakPolarHBondContact O-CB 3.49Å; K461-S464 PolarHBondContact O-N 3.47Å; S464-K466 PolarHBondContact O-N 2.93Å; S464-S467 WeakPolarHBondContact CA-OG 3.37Å; S464-S467 PolarHBondContact O-N 3.37Å; S464-S467 VanDerWaalsContact O-N 3.08Å; S464-S467 PolarHBondContact O-OG 2.95Å; S464-S468 PolarHBondContact O-N 3.37Å; S464-S468 PolarHBondContact O-OG 3.48Å
465Q85.8Confident82.8Confident112 Ų11289.8 Ų89.852%0.52345%0.453SS..Hα-helixtrans-58.4-47.5177.7-76.2179.4-32.100112.5K461 S467 S468 E469K461-Q465 PolarHBondContact O-N 2.97Å; Q465-S467 VanDerWaalsContact C-N 3.28Å; Q465-S467 PolarHBondContact O-N 2.96Å; Q465-S468 WeakPolarHBondContact CA-OG 3.17Å; Q465-S468 PolarHBondContact O-N 3.39Å; Q465-S468 PolarHBondContact O-OG 3.21Å; Q465-E469 WeakPolarHBondContact O-CG 3.18Å; Q465-E469 PolarHBondContact O-N 3.44Å
466K81.6Confident81.9Confident131 Ų13194.5 Ų94.557%0.5748%0.475SS*.Hα-helixtrans-64.8-32.1176.1-77.2-171.2176.4-174.90112.9L462 S464 R470L462-K466 WeakPolarHBondContact O-CB 3.41Å; L462-K466 WeakPolarHBondContact O-CG 3.43Å; L462-K466 PolarHBondContact O-N 3.38Å; S464-K466 PolarHBondContact O-N 2.93Å; K466-R470 VanDerWaalsContact O-CB 3.27Å; K466-R470 WeakPolarHBondContact O-CB 3.34Å; K466-R470 PolarHBondContact O-N 3.18Å; K466-R470 VanDerWaalsContact O-N 3.16Å
467S77.9Confident81.2Confident60 Ų6093.9 Ų93.942%0.4247%0.468SS..Hα-helixtrans-72.7-32.2176.569.90000112.9K463 S464 Q465K463-S467 VanDerWaalsContact O-CB 3.27Å; K463-S467 WeakPolarHBondContact O-CB 3.48Å; K463-S467 PolarHBondContact O-N 3.39Å; K463-S467 PolarHBondContact O-OG 3.44Å; S464-S467 WeakPolarHBondContact CA-OG 3.37Å; S464-S467 PolarHBondContact O-N 3.37Å; S464-S467 VanDerWaalsContact O-N 3.08Å; S464-S467 PolarHBondContact O-OG 2.95Å; Q465-S467 VanDerWaalsContact C-N 3.28Å; Q465-S467 PolarHBondContact O-N 2.96Å
468S76.5Confident80.8Confident87 Ų8798.1 Ų98.161%0.60848%0.481SS*.Hα-helixtrans-76.6-3017452.80000113.3S464 Q465 R470S464-S468 PolarHBondContact O-N 3.37Å; S464-S468 PolarHBondContact O-OG 3.48Å; Q465-S468 WeakPolarHBondContact CA-OG 3.17Å; Q465-S468 PolarHBondContact O-N 3.39Å; Q465-S468 PolarHBondContact O-OG 3.21Å; S468-R470 VanDerWaalsContact C-N 3.34Å
469E76.4Confident80.2Confident156 Ų15699.2 Ų99.273%0.72948%0.482SS*.Hα-helixtrans-80.7-16.7175.9-71.917417600112.8Q465 W471Q465-E469 WeakPolarHBondContact O-CG 3.18Å; Q465-E469 PolarHBondContact O-N 3.44Å; E469-W471 PolarHBondContact O-N 3.28Å
470R76.9Confident79.6Confident192 Ų192102.1 Ų102.173%0.72550%0.499SS*.SBendtrans-81.5103.9-179.1-175.2177.9-175.8-178.60.7109.7K466 S468 Q472K466-R470 VanDerWaalsContact O-CB 3.27Å; K466-R470 WeakPolarHBondContact O-CB 3.34Å; K466-R470 PolarHBondContact O-N 3.18Å; K466-R470 VanDerWaalsContact O-N 3.16Å; S468-R470 VanDerWaalsContact C-N 3.34Å; R470-Q472 WeakPolarHBondContact O-CG 3.4Å; R470-Q472 PolarHBondContact O-N 2.96Å
471W74.9Confident79Confident147 Ų147100.3 Ų100.356%0.55748%0.483SS*.  trans-46.7123.3172.2-176.672.5000111.6E469 P473 E477E469-W471 PolarHBondContact O-N 3.28Å; W471-P473 HydrophobicContact CE3-CB 4.24Å; W471-P473 HydrophobicContact CE3-CG 3.81Å; W471-P473 HydrophobicContact CH2-CB 3.47Å; W471-P473 VanDerWaalsContact CH2-CB 3.47Å; W471-P473 HydrophobicContact CH2-CG 3.91Å; W471-P473 HydrophobicContact CZ2-CB 4.15Å; W471-P473 HydrophobicContact CZ3-CB 3.53Å; W471-P473 HydrophobicContact CZ3-CG 3.38Å; W471-P473 WeakPolarHBondContact O-CD 3.32Å; W471-E477 HydrophobicContact CH2-CB 4.44Å; W471-E477 HydrophobicContact CH2-CG 4.5Å; W471-E477 HydrophobicContact CZ2-CB 4.02Å; W471-E477 HydrophobicContact CZ2-CG 4.28Å
472Q74.2Confident78.4Confident97 Ų9798.6 Ų98.645%0.45349%0.489SS..  trans-105.6100.7178.4-62.4-172.29.800110.7R470 D474 T475 E476R470-Q472 WeakPolarHBondContact O-CG 3.4Å; R470-Q472 PolarHBondContact O-N 2.96Å; Q472-D474 PolarHBondContact O-N 3.15Å; Q472-D474 VanDerWaalsContact O-N 3.16Å; Q472-T475 VanDerWaalsContact CB-OG1 3.31Å; Q472-T475 WeakPolarHBondContact CB-OG1 3.35Å; Q472-T475 PolarHBondContact O-N 3.02Å; Q472-T475 VanDerWaalsContact O-N 3.15Å; Q472-T475 PolarHBondContact OE1-OG1 2.88Å; Q472-E476 PolarHBondContact N-OE1 2.82Å; Q472-E476 VanDerWaalsContact N-OE1 3.15Å; Q472-E476 WeakPolarHBondContact O-CB 3.35Å; Q472-E476 PolarHBondContact O-N 3.4Å
473P72.2Confident77.8Confident46 Ų46101.8 Ų101.830%0.29951%0.513SS..Hα-helixtrans-55-37.1-177.5-5.3-0.7000113.8W471 T475 E477W471-P473 HydrophobicContact CE3-CB 4.24Å; W471-P473 HydrophobicContact CE3-CG 3.81Å; W471-P473 HydrophobicContact CH2-CB 3.47Å; W471-P473 VanDerWaalsContact CH2-CB 3.47Å; W471-P473 HydrophobicContact CH2-CG 3.91Å; W471-P473 HydrophobicContact CZ2-CB 4.15Å; W471-P473 HydrophobicContact CZ3-CB 3.53Å; W471-P473 HydrophobicContact CZ3-CG 3.38Å; W471-P473 WeakPolarHBondContact O-CD 3.32Å; P473-T475 PolarHBondContact O-N 3.49Å; P473-E477 WeakPolarHBondContact O-CB 3.5Å; P473-E477 PolarHBondContact O-N 2.95Å; P473-E477 VanDerWaalsContact O-N 3.08Å
474D69.7Low77.3Confident91 Ų9197.2 Ų97.249%0.48750%0.504SS..Hα-helixtrans-65.1-26.9-176.1-69.7-14000113.7Q472 K490Q472-D474 PolarHBondContact O-N 3.15Å; Q472-D474 VanDerWaalsContact O-N 3.16Å; D474-K490 HydrophobicContact CB-CB 4.24Å; D474-K490 WeakPolarHBondContact O-CB 3.47Å; D474-K490 PolarHBondContact O-N 2.88Å
475T72.4Confident77Confident78 Ų7898.2 Ų98.248%0.47950%0.504SS..Hα-helixtrans-112.5-30.2-173.410.40000113Q472 P473Q472-T475 VanDerWaalsContact CB-OG1 3.31Å; Q472-T475 WeakPolarHBondContact CB-OG1 3.35Å; Q472-T475 PolarHBondContact O-N 3.02Å; Q472-T475 VanDerWaalsContact O-N 3.15Å; Q472-T475 PolarHBondContact OE1-OG1 2.88Å; P473-T475 PolarHBondContact O-N 3.49Å
476E73.5Confident76.9Confident98 Ų9896.9 Ų96.946%0.45850%0.503SS..Hα-helixtrans-106.4-11.3-174.2-62171.6-139.400113.1Q472Q472-E476 PolarHBondContact N-OE1 2.82Å; Q472-E476 VanDerWaalsContact N-OE1 3.15Å; Q472-E476 WeakPolarHBondContact O-CB 3.35Å; Q472-E476 PolarHBondContact O-N 3.4Å
477E77.6Confident76.9Confident53 Ų5392.1 Ų92.125%0.24849%0.485CS..  trans-90.7119.2172.7-158.5-176.6170.600109.6W471 P473 Y479 N488 K489W471-E477 HydrophobicContact CH2-CB 4.44Å; W471-E477 HydrophobicContact CH2-CG 4.5Å; W471-E477 HydrophobicContact CZ2-CB 4.02Å; W471-E477 HydrophobicContact CZ2-CG 4.28Å; P473-E477 WeakPolarHBondContact O-CB 3.5Å; P473-E477 PolarHBondContact O-N 2.95Å; P473-E477 VanDerWaalsContact O-N 3.08Å; E477-Y479 HydrophobicContact CB-CE2 4.32Å; E477-Y479 HydrophobicContact CG-CE2 3.74Å; E477-Y479 PolarHBondContact OE1-OH 2.95Å; E477-N488 CarbonylContact O-C 3.57Å; E477-N488 WeakPolarHBondContact O-CA 3.46Å; E477-K489 HydrophobicContact CB-CB 4.33Å; E477-K489 PolarHBondContact O-N 3.1Å; E477-K489 IonicContact OE1-NZ 3.81Å; E477-K489 WeakPolarHBondContact OE2-CD 3.37Å; E477-K489 IonicContact OE2-NZ 3Å; E477-K489 PolarHBondContact OE2-NZ 2.89Å
478E82.7Confident77.2Confident148 Ų14891.6 Ų91.669%0.69248%0.478SS*.EExtended strand (participates in β ladder)trans-99.4133.7-176.9-69.7-177.7170.200111.2V486E478-V486 HydrophobicContact CB-CG1 3.62Å; E478-V486 HydrophobicContact CG-CG1 3.97Å; E478-V486 WeakPolarHBondContact OE2-CG1 3.47Å
479Y78.3Confident77.5Confident81 Ų8189.5 Ų89.532%0.31846%0.457SS..EExtended strand (participates in β ladder)trans-120143.4176.5-75.3-103.2000109.4E477 V487 K489 Y492E477-Y479 HydrophobicContact CB-CE2 4.32Å; E477-Y479 HydrophobicContact CG-CE2 3.74Å; E477-Y479 PolarHBondContact OE1-OH 2.95Å; Y479-V487 PolarHBondContact N-O 3.24Å; Y479-V487 PolarHBondContact O-N 3.26Å; Y479-V487 VanDerWaalsContact O-O 3.05Å; Y479-K489 HydrophobicContact CD2-CB 3.73Å; Y479-K489 HydrophobicContact CD2-CG 3.99Å; Y479-K489 HydrophobicContact CE2-CB 3.61Å; Y479-K489 HydrophobicContact CE2-CD 3.97Å; Y479-K489 HydrophobicContact CE2-CG 3.52Å; Y479-Y492 HydrophobicContact CD1-CD1 4.47Å; Y479-Y492 HydrophobicContact CG-CD1 4.48Å; Y479-Y492 HydrophobicContact CG-CG 4.32Å
480E80.4Confident77.8Confident130 Ų13087.7 Ų87.761%0.60745%0.447SS*.EExtended strand (participates in β ladder)trans-98.9132.9177.9-162.4176.3173.800110.2G484 N485E480-G484 VanDerWaalsContact OE1-CA 3.28Å; E480-G484 WeakPolarHBondContact OE1-CA 3.48Å; E480-N485 WeakPolarHBondContact CA-O 3.24Å
481D77.2Confident78.1Confident29 Ų2981.4 Ų81.416%0.15543%0.43CS..  trans-79.1172.3174.776.114000112.9S483 G484 N485 L501D481-S483 PolarHBondContact O-N 3.38Å; D481-S483 VanDerWaalsContact O-N 3.09Å; D481-S483 VanDerWaalsContact OD1-C 3.22Å; D481-S483 VanDerWaalsContact OD1-CA 3.26Å; D481-S483 WeakPolarHBondContact OD1-CA 3.29Å; D481-S483 WeakPolarHBondContact OD1-CB 3.48Å; D481-S483 PolarHBondContact OD1-N 3.44Å; D481-G484 PolarHBondContact O-N 2.87Å; D481-G484 PolarHBondContact OD1-N 3.28Å; D481-N485 PolarHBondContact N-O 3.22Å; D481-N485 PolarHBondContact OD1-N 3.19Å; D481-N485 PolarHBondContact OD1-ND2 3.36Å; D481-N485 WeakPolarHBondContact OD2-CB 3.35Å; D481-N485 PolarHBondContact OD2-ND2 3.01Å; D481-L501 HydrophobicContact CB-CD2 3.54Å
482S77.4Confident78.5Confident100 Ų10077.1 Ų77.170%0.69941%0.414SS*.THydrogen-bonded Turntrans-63.4-13179.357.70000114L501S482-L501 PolarHBondContact OG-OXT 3.49Å
483S75.2Confident78.9Confident96 Ų9676 Ų7667%0.67141%0.409SS*.THydrogen-bonded Turntrans-1031.4177.8-59.90000113.1D481D481-S483 PolarHBondContact O-N 3.38Å; D481-S483 VanDerWaalsContact O-N 3.09Å; D481-S483 VanDerWaalsContact OD1-C 3.22Å; D481-S483 VanDerWaalsContact OD1-CA 3.26Å; D481-S483 WeakPolarHBondContact OD1-CA 3.29Å; D481-S483 WeakPolarHBondContact OD1-CB 3.48Å; D481-S483 PolarHBondContact OD1-N 3.44Å
484G76.6Confident79.5Confident38 Ų3876.9 Ų76.939%0.39241%0.411SS..SBendtrans84.614178.600000115.2E480 D481E480-G484 VanDerWaalsContact OE1-CA 3.28Å; E480-G484 WeakPolarHBondContact OE1-CA 3.48Å; D481-G484 PolarHBondContact O-N 2.87Å; D481-G484 PolarHBondContact OD1-N 3.28Å
485N80.3Confident80.1Confident92 Ų9274.8 Ų74.849%0.49240%0.4SS..  trans-87.2136.5175.7-50-62.5000110.5E480 D481E480-N485 WeakPolarHBondContact CA-O 3.24Å; D481-N485 PolarHBondContact N-O 3.22Å; D481-N485 PolarHBondContact OD1-N 3.19Å; D481-N485 PolarHBondContact OD1-ND2 3.36Å; D481-N485 WeakPolarHBondContact OD2-CB 3.35Å; D481-N485 PolarHBondContact OD2-ND2 3.01Å
486V82.4Confident80.5Confident85 Ų8577.6 Ų77.652%0.51541%0.405SS..EExtended strand (participates in β ladder)trans-91.1121.5178.3-175.40000109.8E478E478-V486 HydrophobicContact CB-CG1 3.62Å; E478-V486 HydrophobicContact CG-CG1 3.97Å; E478-V486 WeakPolarHBondContact OE2-CG1 3.47Å
487V82.3Confident81.1Confident31 Ų3182 Ų8219%0.18842%0.418CS..EExtended strand (participates in β ladder)trans-128.6149.2177.4-70.40000110Y479 T491 Y492Y479-V487 PolarHBondContact N-O 3.24Å; Y479-V487 PolarHBondContact O-N 3.26Å; Y479-V487 VanDerWaalsContact O-O 3.05Å; V487-T491 HydrophobicContact CB-CG2 4.39Å; V487-T491 HydrophobicContact CG1-CG2 4.47Å; V487-Y492 HydrophobicContact CG2-CD2 3.83Å; V487-Y492 HydrophobicContact CG2-CG 4.34Å
488N84.5Confident81.4Confident49 Ų4985.8 Ų85.826%0.26244%0.436SS..EExtended strand (participates in β ladder)trans-65.215617468.134.4000110.8E477 K490 T491 Y492E477-N488 CarbonylContact O-C 3.57Å; E477-N488 WeakPolarHBondContact O-CA 3.46Å; N488-K490 VanDerWaalsContact C-N 3.27Å; N488-K490 PolarHBondContact O-N 3.07Å; N488-K490 PolarHBondContact OD1-N 3.44Å; N488-T491 PolarHBondContact O-N 3.01Å; N488-T491 VanDerWaalsContact O-N 3.14Å; N488-T491 WeakPolarHBondContact OD1-CB 3.44Å; N488-T491 PolarHBondContact OD1-N 3.26Å; N488-T491 PolarHBondContact OD1-OG1 2.95Å; N488-Y492 PolarHBondContact O-N 3.46Å
489K82.4Confident81.3Confident42 Ų4281.8 Ų81.818%0.18343%0.434CS..Hα-helixtrans-51.1-44.2-176.9-174.4-175.8-156.8157.70113.4E477 Y479 Y492 E493E477-K489 HydrophobicContact CB-CB 4.33Å; E477-K489 PolarHBondContact O-N 3.1Å; E477-K489 IonicContact OE1-NZ 3.81Å; E477-K489 WeakPolarHBondContact OE2-CD 3.37Å; E477-K489 IonicContact OE2-NZ 3Å; E477-K489 PolarHBondContact OE2-NZ 2.89Å; Y479-K489 HydrophobicContact CD2-CB 3.73Å; Y479-K489 HydrophobicContact CD2-CG 3.99Å; Y479-K489 HydrophobicContact CE2-CB 3.61Å; Y479-K489 HydrophobicContact CE2-CD 3.97Å; Y479-K489 HydrophobicContact CE2-CG 3.52Å; K489-Y492 WeakPolarHBondContact O-CB 3.33Å; K489-Y492 PolarHBondContact O-N 2.98Å; K489-E493 HydrophobicContact CG-CG 4.48Å; K489-E493 WeakPolarHBondContact O-CG 3.36Å; K489-E493 PolarHBondContact O-N 2.98Å
490K83Confident80.9Confident119 Ų11983.5 Ų83.552%0.51745%0.448SS..Hα-helixtrans-63-46.3-178.3-173.8177.3179.8179.90111.6D474 N488 Y492 E493 D494D474-K490 HydrophobicContact CB-CB 4.24Å; D474-K490 WeakPolarHBondContact O-CB 3.47Å; D474-K490 PolarHBondContact O-N 2.88Å; N488-K490 VanDerWaalsContact C-N 3.27Å; N488-K490 PolarHBondContact O-N 3.07Å; N488-K490 PolarHBondContact OD1-N 3.44Å; K490-Y492 VanDerWaalsContact C-N 3.34Å; K490-E493 PolarHBondContact O-N 2.9Å; K490-D494 WeakPolarHBondContact O-CB 3.38Å; K490-D494 PolarHBondContact O-N 2.94Å
491T82.4Confident80.4Confident59 Ų5980.6 Ų80.636%0.36244%0.436SS..Hα-helixtrans-65.8-38.8176.3-60.40000111.1V487 N488 D494 L495V487-T491 HydrophobicContact CB-CG2 4.39Å; V487-T491 HydrophobicContact CG1-CG2 4.47Å; N488-T491 PolarHBondContact O-N 3.01Å; N488-T491 VanDerWaalsContact O-N 3.14Å; N488-T491 WeakPolarHBondContact OD1-CB 3.44Å; N488-T491 PolarHBondContact OD1-N 3.26Å; N488-T491 PolarHBondContact OD1-OG1 2.95Å; T491-D494 PolarHBondContact O-N 3.39Å; T491-L495 HydrophobicContact CG2-CD1 3.79Å; T491-L495 HydrophobicContact CG2-CG 4.15Å; T491-L495 WeakPolarHBondContact O-CB 3.36Å; T491-L495 WeakPolarHBondContact O-CG 2.99Å; T491-L495 PolarHBondContact O-N 3.45Å
492Y83.1Confident80.5Confident58 Ų5883.2 Ų83.223%0.22745%0.45CS..Hα-helixtrans-60.1-49.7174-172.3-90.1000111.6Y479 V487 N488 K489 K490 D494 L495 K496 L501Y479-Y492 HydrophobicContact CD1-CD1 4.47Å; Y479-Y492 HydrophobicContact CG-CD1 4.48Å; Y479-Y492 HydrophobicContact CG-CG 4.32Å; V487-Y492 HydrophobicContact CG2-CD2 3.83Å; V487-Y492 HydrophobicContact CG2-CG 4.34Å; N488-Y492 PolarHBondContact O-N 3.46Å; K489-Y492 WeakPolarHBondContact O-CB 3.33Å; K489-Y492 PolarHBondContact O-N 2.98Å; K490-Y492 VanDerWaalsContact C-N 3.34Å; Y492-D494 PolarHBondContact O-N 3.06Å; Y492-L495 PolarHBondContact O-N 3.49Å; Y492-K496 HydrophobicContact CE1-CD 4.29Å; Y492-K496 VanDerWaalsContact O-CB 3.25Å; Y492-K496 WeakPolarHBondContact O-CB 3.46Å; Y492-K496 PolarHBondContact O-N 2.91Å; Y492-L501 HydrophobicContact CD1-CD1 4.13Å; Y492-L501 HydrophobicContact CD2-CD1 3.54Å; Y492-L501 HydrophobicContact CD2-CD2 4.41Å; Y492-L501 HydrophobicContact CE1-CD1 4.21Å; Y492-L501 HydrophobicContact CE2-CD1 3.65Å; Y492-L501 HydrophobicContact CE2-CD2 4.44Å; Y492-L501 HydrophobicContact CG-CD1 3.79Å; Y492-L501 WeakPolarHBondContact O-CD1 2.9Å
493E82.8Confident80.7Confident74 Ų7482.3 Ų82.335%0.34644%0.437SS..Hα-helixtrans-64.1-39.3178.8-73.5-170.9-167.600112.6K489 K490 K496 R497K489-E493 HydrophobicContact CG-CG 4.48Å; K489-E493 WeakPolarHBondContact O-CG 3.36Å; K489-E493 PolarHBondContact O-N 2.98Å; K490-E493 PolarHBondContact O-N 2.9Å; E493-K496 PolarHBondContact O-N 3.22Å; E493-R497 WeakPolarHBondContact O-CB 3.33Å; E493-R497 VanDerWaalsContact O-CG 3.25Å; E493-R497 WeakPolarHBondContact O-CG 3.32Å; E493-R497 PolarHBondContact O-N 3.41Å; E493-R497 IonicContact OE2-NH2 2.64Å; E493-R497 PolarHBondContact OE2-NH2 3.42Å
494D84.6Confident81Confident64 Ų6481.6 Ų81.634%0.34242%0.424SS..Hα-helixtrans-67.5-43.9177.4-77.5-19.1000111.6K490 T491 Y492 K496 R497 Q498K490-D494 WeakPolarHBondContact O-CB 3.38Å; K490-D494 PolarHBondContact O-N 2.94Å; T491-D494 PolarHBondContact O-N 3.39Å; Y492-D494 PolarHBondContact O-N 3.06Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 3.08Å; D494-R497 PolarHBondContact O-N 3.05Å; D494-Q498 VanDerWaalsContact O-CG 3.29Å; D494-Q498 WeakPolarHBondContact O-CG 3.37Å; D494-Q498 PolarHBondContact O-N 3.19Å
495L82.6Confident81.2Confident46 Ų4684.1 Ų84.124%0.24143%0.426CS..Hα-helixtrans-65.4-37.4175.1-68.9170.1000111.3T491 Y492 Q498 G499 L500 L501T491-L495 HydrophobicContact CG2-CD1 3.79Å; T491-L495 HydrophobicContact CG2-CG 4.15Å; T491-L495 WeakPolarHBondContact O-CB 3.36Å; T491-L495 WeakPolarHBondContact O-CG 2.99Å; T491-L495 PolarHBondContact O-N 3.45Å; Y492-L495 PolarHBondContact O-N 3.49Å; L495-Q498 CarbonylContact O-C 3.56Å; L495-Q498 PolarHBondContact O-N 3.2Å; L495-G499 PolarHBondContact O-N 3.46Å; L495-L500 HydrophobicContact CB-CB 4.47Å; L495-L500 HydrophobicContact CD2-CB 4.11Å; L495-L500 HydrophobicContact CD2-CD1 4.05Å; L495-L500 PolarHBondContact O-N 3.13Å; L495-L501 HydrophobicContact CB-CD1 3.69Å; L495-L501 HydrophobicContact CB-CD2 4.13Å; L495-L501 HydrophobicContact CB-CG 3.56Å; L495-L501 HydrophobicContact CD1-CD2 4.08Å; L495-L501 HydrophobicContact CD1-CG 4.42Å
496K81.7Confident81.3Confident138 Ų13883.6 Ų83.660%0.642%0.422SS*.Hα-helixtrans-62.5-43.6174.6-171.6175.6-177.8175.20111.1Y492 E493 D494 Q498 G499 L501Y492-K496 HydrophobicContact CE1-CD 4.29Å; Y492-K496 VanDerWaalsContact O-CB 3.25Å; Y492-K496 WeakPolarHBondContact O-CB 3.46Å; Y492-K496 PolarHBondContact O-N 2.91Å; E493-K496 PolarHBondContact O-N 3.22Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 3.08Å; K496-Q498 VanDerWaalsContact C-N 3.3Å; K496-Q498 PolarHBondContact O-N 3.26Å; K496-G499 PolarHBondContact O-N 2.86Å; K496-G499 VanDerWaalsContact O-N 3.15Å; K496-L501 HydrophobicContact CB-CD1 3.96Å
497R85.7Confident81.2Confident189 Ų18983.5 Ų83.571%0.71342%0.416SS*.Hα-helixtrans-66.7-31.9177-74.4173.3-169.7176.49.5112.5E493 D494 G499E493-R497 WeakPolarHBondContact O-CB 3.33Å; E493-R497 VanDerWaalsContact O-CG 3.25Å; E493-R497 WeakPolarHBondContact O-CG 3.32Å; E493-R497 PolarHBondContact O-N 3.41Å; E493-R497 IonicContact OE2-NH2 2.64Å; E493-R497 PolarHBondContact OE2-NH2 3.42Å; D494-R497 PolarHBondContact O-N 3.05Å; R497-G499 VanDerWaalsContact C-N 3.28Å
498Q84.6Confident81.1Confident134 Ų13487.3 Ų87.363%0.62643%0.432SS*.Hα-helixtrans-79.7-8.4174.3-68.2173.436.800113.2D494 L495 K496 L500D494-Q498 VanDerWaalsContact O-CG 3.29Å; D494-Q498 WeakPolarHBondContact O-CG 3.37Å; D494-Q498 PolarHBondContact O-N 3.19Å; L495-Q498 CarbonylContact O-C 3.56Å; L495-Q498 PolarHBondContact O-N 3.2Å; K496-Q498 VanDerWaalsContact C-N 3.3Å; K496-Q498 PolarHBondContact O-N 3.26Å; Q498-L500 HydrophobicContact CB-CD1 3.87Å; Q498-L500 HydrophobicContact CB-CG 4.05Å
499G79.1Confident80.9Confident63 Ų6390.2 Ų90.265%0.64945%0.445SS*.THydrogen-bonded Turntrans75.325.7-179.500000114.1L495 K496 R497L495-G499 PolarHBondContact O-N 3.46Å; K496-G499 PolarHBondContact O-N 2.86Å; K496-G499 VanDerWaalsContact O-N 3.15Å; R497-G499 VanDerWaalsContact C-N 3.28Å
500L71.4Confident80.8Confident118 Ų11894.3 Ų94.362%0.61847%0.467SS*.  trans-103.210.7-173.5-64.8172.2000114L495 Q498L495-L500 HydrophobicContact CB-CB 4.47Å; L495-L500 HydrophobicContact CD2-CB 4.11Å; L495-L500 HydrophobicContact CD2-CD1 4.05Å; L495-L500 PolarHBondContact O-N 3.13Å; Q498-L500 HydrophobicContact CB-CD1 3.87Å; Q498-L500 HydrophobicContact CB-CG 4.05Å
501L68Low80.6Confident69 Ų6992 Ų9236%0.36146%0.462SS..  trans-119.60-178.6-74.1174.9000114D481 S482 Y492 L495 K496D481-L501 HydrophobicContact CB-CD2 3.54Å; S482-L501 PolarHBondContact OG-OXT 3.49Å; Y492-L501 HydrophobicContact CD1-CD1 4.13Å; Y492-L501 HydrophobicContact CD2-CD1 3.54Å; Y492-L501 HydrophobicContact CD2-CD2 4.41Å; Y492-L501 HydrophobicContact CE1-CD1 4.21Å; Y492-L501 HydrophobicContact CE2-CD1 3.65Å; Y492-L501 HydrophobicContact CE2-CD2 4.44Å; Y492-L501 HydrophobicContact CG-CD1 3.79Å; Y492-L501 WeakPolarHBondContact O-CD1 2.9Å; L495-L501 HydrophobicContact CB-CD1 3.69Å; L495-L501 HydrophobicContact CB-CD2 4.13Å; L495-L501 HydrophobicContact CB-CG 3.56Å; L495-L501 HydrophobicContact CD1-CD2 4.08Å; L495-L501 HydrophobicContact CD1-CG 4.42Å; K496-L501 HydrophobicContact CB-CD1 3.96Å

Retrieved 501 of 501 residues in 273.6 ms (Link to these results)

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