A0A096MWE1_PAPAN Loading...

Zinc finger-containing ubiquitin peptidase 1

Deubiquitinase with endodeubiquitinase activity that specifically interacts with and cleaves 'Lys-63'-linked long polyubiquitin chains. Shows only weak activity against 'Lys-11' and 'Lys-48'-linked chains. Plays an important role in genome stability pathways, functioning to prevent spontaneous DNA damage and also promote cellular survival in response to exogenous DNA damage. Modulates the ubiquitination status of replication protein A (RPA) complex proteins in response to replication stress.

AlphaFold DB , UniProt , Accession A0A096MWE1, Species PAPAN (Papio anubis, Olive baboon), Gene ZUP1, Length 578 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
1M61.7Low69.8Low187 Ų18774 Ų7492%0.92143%0.431SS*.  0134.70-62.1174.3-175.700107.4V11M1-V11 CarbonylContact C-O 3.44Å; M1-V11 WeakPolarHBondContact CA-O 3.44Å
2L66.4Low70.4Confident79 Ų7977.1 Ų77.141%0.41445%0.452SS..EExtended strand (participates in β ladder)trans-111.1134.5174.6-61.3171.8000107.8T10 V11 E14 M17L2-T10 CarbonylContact O-C 3.56Å; L2-T10 VanDerWaalsContact O-CA 3.32Å; L2-T10 WeakPolarHBondContact O-CA 3.25Å; L2-V11 HydrophobicContact CB-CG2 4.03Å; L2-V11 PolarHBondContact N-O 3.3Å; L2-V11 PolarHBondContact O-N 3.06Å; L2-E14 HydrophobicContact CD1-CB 4.32Å; L2-M17 HydrophobicContact CB-CE 3.67Å; L2-M17 HydrophobicContact CD1-CB 4.22Å
3S69.4Low71Confident60 Ų6074.6 Ų74.642%0.4244%0.441SS..EExtended strand (participates in β ladder)trans-86.4137.8170.551.20000110.1D5 E9 M17S3-D5 PolarHBondContact O-N 2.76Å; S3-E9 CarbonylContact C-O 3.58Å; S3-E9 WeakPolarHBondContact CA-O 3.2Å; S3-M17 VanDerWaalsContact C-CE 3.48Å; S3-M17 WeakPolarHBondContact O-CE 3.5Å
4C70.9Confident70.9Confident0 Ų077 Ų770%045%0.446CS..  trans-81.9108.9171.4-176.90000109.6I6 C7 G8 E9 M17 H20C4-I6 PolarHBondContact O-N 2.73Å; C4-C7 PolarHBondContact O-N 3.03Å; C4-C7 VanDerWaalsContact O-N 3.12Å; C4-G8 WeakPolarHBondContact O-CA 3.45Å; C4-G8 PolarHBondContact O-N 3.18Å; C4-E9 PolarHBondContact N-O 2.92Å; C4-M17 HydrophobicContact CB-CE 3.99Å; C4-M17 HydrophobicContact CB-SD 3.96Å; C4-H20 WeakPolarHBondContact CB-NE2 3.46Å; C4-H20 PolarHBondContact SG-NE2 2.89Å
5D58.4Low71.1Confident73 Ų7377.9 Ų77.939%0.3946%0.455SS..THydrogen-bonded Turntrans-67.48.3-179.8-67.1-6.8000113.9S3S3-D5 PolarHBondContact O-N 2.76Å
6I63.9Low71.4Confident56 Ų5676.9 Ų76.929%0.28745%0.447SS..THydrogen-bonded Turntrans-95.6-39.2171.8-49165.5000111.8C4 L21 H24 M305C4-I6 PolarHBondContact O-N 2.73Å; I6-L21 HydrophobicContact CD1-CD2 3.44Å; I6-L21 VanDerWaalsContact CD1-CD2 3.44Å; I6-H24 HydrophobicContact CD1-CB 4.17Å; I6-M305 HydrophobicContact CD1-CE 3.32Å; I6-M305 HydrophobicContact CG1-CE 3.76Å; I6-M305 HydrophobicContact CG2-CE 4.39Å
7C71.6Confident71.9Confident68 Ų6872.8 Ų72.846%0.45942%0.423SS..THydrogen-bonded Turntrans-137.8-9.8-169.464.90000115.5C4 H20C4-C7 PolarHBondContact O-N 3.03Å; C4-C7 VanDerWaalsContact O-N 3.12Å; C7-H20 VanDerWaalsContact SG-CE1 3.58Å; C7-H20 PolarHBondContact SG-NE2 2.91Å; C7-H20 VanDerWaalsContact SG-NE2 3.41Å
8G68.6Low71.8Confident56 Ų5673.4 Ų73.458%0.57742%0.42SS*.  trans84.7-3.8179.200000115.9C4C4-G8 WeakPolarHBondContact O-CA 3.45Å; C4-G8 PolarHBondContact O-N 3.18Å
9E74.3Confident72Confident117 Ų11772.6 Ų72.655%0.54742%0.423SS..  trans-62.1147.3174.8-71-159.5142.900111.8S3 C4 H20S3-E9 CarbonylContact C-O 3.58Å; S3-E9 WeakPolarHBondContact CA-O 3.2Å; C4-E9 PolarHBondContact N-O 2.92Å; E9-H20 IonicContact OE2-CE1 3.51Å; E9-H20 PolarHBondContact OE2-CE1 3.49Å; E9-H20 IonicContact OE2-ND1 3.18Å; E9-H20 PolarHBondContact OE2-ND1 2.77Å
10T76.8Confident72.4Confident98 Ų9870.2 Ų70.260%0.60141%0.408SS*.EExtended strand (participates in β ladder)trans-112.3126.318046.80000111.4L2L2-T10 CarbonylContact O-C 3.56Å; L2-T10 VanDerWaalsContact O-CA 3.32Å; L2-T10 WeakPolarHBondContact O-CA 3.25Å
11V85.9Confident72.2Confident20 Ų2067.6 Ų67.612%0.12139%0.392CS..EExtended strand (participates in β ladder)trans-115.4158.6-177.5-59.60000111.5M1 L2 D16 M17 H20M1-V11 CarbonylContact C-O 3.44Å; M1-V11 WeakPolarHBondContact CA-O 3.44Å; L2-V11 HydrophobicContact CB-CG2 4.03Å; L2-V11 PolarHBondContact N-O 3.3Å; L2-V11 PolarHBondContact O-N 3.06Å; V11-D16 HydrophobicContact CB-CB 3.95Å; V11-D16 HydrophobicContact CG2-CB 4.38Å; V11-M17 HydrophobicContact CG2-CB 3.8Å; V11-M17 HydrophobicContact CG2-CE 3.61Å; V11-M17 HydrophobicContact CG2-SD 4.2Å; V11-H20 HydrophobicContact CG1-CB 4.22Å
12T76.9Confident72.4Confident111 Ų11162.6 Ų62.668%0.68137%0.368SS*.SBendtrans-77.8-38.9-170.427.30000114.4D16T12-D16 WeakPolarHBondContact CB-OD2 3.39Å; T12-D16 PolarHBondContact OG1-OD2 3.22Å
13S78.1Confident72.4Confident45 Ų4562.7 Ų62.732%0.31537%0.372SS..SBendtrans-141.3172.3-175.272.70000113.5P15 D16 M17S13-P15 WeakPolarHBondContact OG-CD 3.39Å; S13-D16 VanDerWaalsContact CB-OD2 3.32Å; S13-D16 WeakPolarHBondContact CB-OD2 3.5Å; S13-D16 PolarHBondContact N-OD2 3.32Å; S13-D16 WeakPolarHBondContact O-CB 3.44Å; S13-D16 PolarHBondContact O-N 3.42Å; S13-D16 PolarHBondContact OG-N 2.92Å; S13-D16 PolarHBondContact OG-OD2 3.18Å; S13-M17 PolarHBondContact O-N 2.57Å
14E69Low72.2Confident108 Ų10862.1 Ų62.151%0.50536%0.363SS..Hα-helixtrans-64.8-42.4176-173.1-156136.900113.1L2 D16 M17 K18L2-E14 HydrophobicContact CD1-CB 4.32Å; E14-D16 VanDerWaalsContact C-N 3.29Å; E14-D16 PolarHBondContact O-N 3.3Å; E14-M17 WeakPolarHBondContact O-CB 3.32Å; E14-M17 PolarHBondContact O-N 2.96Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.34Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.14Å
15P74Confident71.7Confident90 Ų9065.5 Ų65.558%0.58438%0.379SS*.Hα-helixtrans-55.2-40.4168.1-28.936000113.8S13 M17 K18 A19S13-P15 WeakPolarHBondContact OG-CD 3.39Å; P15-M17 VanDerWaalsContact C-N 3.33Å; P15-M17 PolarHBondContact O-N 3.34Å; P15-K18 PolarHBondContact O-N 2.88Å; P15-A19 PolarHBondContact O-N 2.8Å
16D76.9Confident71.6Confident63 Ų6365.6 Ų65.634%0.33738%0.377SS..Hα-helixtrans-65.9-37.4177.8-53-40.6000111.4V11 T12 S13 E14 A19 H20V11-D16 HydrophobicContact CB-CB 3.95Å; V11-D16 HydrophobicContact CG2-CB 4.38Å; T12-D16 WeakPolarHBondContact CB-OD2 3.39Å; T12-D16 PolarHBondContact OG1-OD2 3.22Å; S13-D16 VanDerWaalsContact CB-OD2 3.32Å; S13-D16 WeakPolarHBondContact CB-OD2 3.5Å; S13-D16 PolarHBondContact N-OD2 3.32Å; S13-D16 WeakPolarHBondContact O-CB 3.44Å; S13-D16 PolarHBondContact O-N 3.42Å; S13-D16 PolarHBondContact OG-N 2.92Å; S13-D16 PolarHBondContact OG-OD2 3.18Å; E14-D16 VanDerWaalsContact C-N 3.29Å; E14-D16 PolarHBondContact O-N 3.3Å; D16-A19 PolarHBondContact O-N 3.06Å; D16-H20 WeakPolarHBondContact O-CB 3.47Å; D16-H20 PolarHBondContact O-N 3.12Å
17M78.8Confident71.2Confident7 Ų768.9 Ų68.93%0.03440%0.395CS..Hα-helixtrans-62.8-45172.5-174.459.578.600111L2 S3 C4 V11 S13 E14 P15 A19 H20 L21L2-M17 HydrophobicContact CB-CE 3.67Å; L2-M17 HydrophobicContact CD1-CB 4.22Å; S3-M17 VanDerWaalsContact C-CE 3.48Å; S3-M17 WeakPolarHBondContact O-CE 3.5Å; C4-M17 HydrophobicContact CB-CE 3.99Å; C4-M17 HydrophobicContact CB-SD 3.96Å; V11-M17 HydrophobicContact CG2-CB 3.8Å; V11-M17 HydrophobicContact CG2-CE 3.61Å; V11-M17 HydrophobicContact CG2-SD 4.2Å; S13-M17 PolarHBondContact O-N 2.57Å; E14-M17 WeakPolarHBondContact O-CB 3.32Å; E14-M17 PolarHBondContact O-N 2.96Å; P15-M17 VanDerWaalsContact C-N 3.33Å; P15-M17 PolarHBondContact O-N 3.34Å; M17-A19 VanDerWaalsContact C-N 3.33Å; M17-A19 PolarHBondContact O-N 3.42Å; M17-H20 PolarHBondContact O-N 3.24Å; M17-L21 HydrophobicContact CG-CD1 3.98Å; M17-L21 HydrophobicContact CG-CG 4.29Å; M17-L21 WeakPolarHBondContact O-CB 3.48Å; M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 2.88Å; M17-L21 HydrophobicContact SD-CG 4.28Å
18K71.3Confident70.6Confident83 Ų8370 Ų7036%0.36139%0.394SS..Hα-helixtrans-62.8-38.7178-76.2172.6170.4169.40112.1E14 P15 L21 I22 E306E14-K18 PolarHBondContact O-N 3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.34Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.14Å; P15-K18 PolarHBondContact O-N 2.88Å; K18-L21 PolarHBondContact O-N 3.16Å; K18-I22 PolarHBondContact O-N 3.16Å; K18-E306 WeakPolarHBondContact CE-OE1 3.39Å; K18-E306 IonicContact NZ-OE1 3.19Å
19A75Confident70.3Confident59 Ų5968 Ų6849%0.48837%0.37SS..Hα-helixtrans-66-43.9172.200000112.7P15 D16 M17 L21 I22P15-A19 PolarHBondContact O-N 2.8Å; D16-A19 PolarHBondContact O-N 3.06Å; M17-A19 VanDerWaalsContact C-N 3.33Å; M17-A19 PolarHBondContact O-N 3.42Å; A19-L21 VanDerWaalsContact C-N 3.32Å; A19-L21 PolarHBondContact O-N 3.06Å; A19-I22 WeakPolarHBondContact O-CB 3.38Å; A19-I22 PolarHBondContact O-N 3.45Å
20H79.2Confident70.4Confident24 Ų2466.1 Ų66.111%0.11137%0.366CS..Hα-helixtrans-62.4-36.4175.7170.292.3000112.4C4 C7 E9 V11 D16 M17 I22 V23 H24C4-H20 WeakPolarHBondContact CB-NE2 3.46Å; C4-H20 PolarHBondContact SG-NE2 2.89Å; C7-H20 VanDerWaalsContact SG-CE1 3.58Å; C7-H20 PolarHBondContact SG-NE2 2.91Å; C7-H20 VanDerWaalsContact SG-NE2 3.41Å; E9-H20 IonicContact OE2-CE1 3.51Å; E9-H20 PolarHBondContact OE2-CE1 3.49Å; E9-H20 IonicContact OE2-ND1 3.18Å; E9-H20 PolarHBondContact OE2-ND1 2.77Å; V11-H20 HydrophobicContact CG1-CB 4.22Å; D16-H20 WeakPolarHBondContact O-CB 3.47Å; D16-H20 PolarHBondContact O-N 3.12Å; M17-H20 PolarHBondContact O-N 3.24Å; H20-I22 VanDerWaalsContact C-N 3.3Å; H20-I22 PolarHBondContact O-N 2.97Å; H20-V23 WeakPolarHBondContact O-CB 3.42Å; H20-V23 PolarHBondContact O-N 2.91Å; H20-H24 AromaticContact CD2-CD2 3.84Å; H20-H24 AromaticContact CD2-NE2 3.66Å; H20-H24 AromaticContact CE1-NE2 3.52Å; H20-H24 AromaticContact NE2-CD2 3.59Å; H20-H24 AromaticContact NE2-NE2 2.92Å; H20-H24 PolarHBondContact NE2-NE2 3.19Å; H20-H24 PolarHBondContact O-CD2 3.29Å
21L68Low70.5Confident16 Ų1661.6 Ų61.68%0.08434%0.339CS..Hα-helixtrans-66.2-28178.6-72.9170000113.6I6 M17 K18 A19 V23 H24 M25 A309I6-L21 HydrophobicContact CD1-CD2 3.44Å; I6-L21 VanDerWaalsContact CD1-CD2 3.44Å; M17-L21 HydrophobicContact CG-CD1 3.98Å; M17-L21 HydrophobicContact CG-CG 4.29Å; M17-L21 WeakPolarHBondContact O-CB 3.48Å; M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 2.88Å; M17-L21 HydrophobicContact SD-CG 4.28Å; K18-L21 PolarHBondContact O-N 3.16Å; A19-L21 VanDerWaalsContact C-N 3.32Å; A19-L21 PolarHBondContact O-N 3.06Å; L21-V23 PolarHBondContact O-N 2.83Å; L21-H24 PolarHBondContact O-N 3.28Å; L21-H24 VanDerWaalsContact O-N 3.11Å; L21-M25 WeakPolarHBondContact O-CG 3.36Å; L21-M25 PolarHBondContact O-N 2.91Å; L21-A309 HydrophobicContact CD1-CB 3.71Å; L21-A309 HydrophobicContact CD2-CB 3.67Å; L21-A309 HydrophobicContact CG-CB 4.28Å
22I67.2Low69.7Low82 Ų8264.8 Ų64.842%0.42136%0.36SS..Hα-helixtrans-58.5-39.2173.9-66168.7000110.6K18 A19 H20 H24 M25 E26K18-I22 PolarHBondContact O-N 3.16Å; A19-I22 WeakPolarHBondContact O-CB 3.38Å; A19-I22 PolarHBondContact O-N 3.45Å; H20-I22 VanDerWaalsContact C-N 3.3Å; H20-I22 PolarHBondContact O-N 2.97Å; I22-H24 VanDerWaalsContact C-N 3.26Å; I22-H24 PolarHBondContact O-N 3.02Å; I22-M25 WeakPolarHBondContact O-CA 3.3Å; I22-M25 WeakPolarHBondContact O-CB 2.89Å; I22-M25 PolarHBondContact O-N 3.17Å; I22-E26 VanDerWaalsContact CG2-CD 3.43Å; I22-E26 HydrophobicContact CG2-CG 3.91Å; I22-E26 VanDerWaalsContact CG2-OE1 3.28Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.43Å; I22-E26 PolarHBondContact O-N 3.4Å
23V66.1Low69.7Low80 Ų8062.7 Ų62.749%0.48534%0.341SS..Hα-helixtrans-61.7-33.9178.1-171.20000111.9H20 L21 N27H20-V23 WeakPolarHBondContact O-CB 3.42Å; H20-V23 PolarHBondContact O-N 2.91Å; L21-V23 PolarHBondContact O-N 2.83Å; V23-N27 PolarHBondContact O-ND2 3.12Å
24H65.1Low69.8Low49 Ų4963 Ų6323%0.22734%0.343CS..Hα-helixtrans-76.9-21.3173.9-65.4-80.4000113.3I6 H20 L21 I22I6-H24 HydrophobicContact CD1-CB 4.17Å; H20-H24 AromaticContact CD2-CD2 3.84Å; H20-H24 AromaticContact CD2-NE2 3.66Å; H20-H24 AromaticContact CE1-NE2 3.52Å; H20-H24 AromaticContact NE2-CD2 3.59Å; H20-H24 AromaticContact NE2-NE2 2.92Å; H20-H24 PolarHBondContact NE2-NE2 3.19Å; H20-H24 PolarHBondContact O-CD2 3.29Å; L21-H24 PolarHBondContact O-N 3.28Å; L21-H24 VanDerWaalsContact O-N 3.11Å; I22-H24 VanDerWaalsContact C-N 3.26Å; I22-H24 PolarHBondContact O-N 3.02Å
25M60.7Low70.4Confident71 Ų7167.3 Ų67.335%0.3536%0.36SS..Hα-helixtrans-83.8-52.5178.3-69.3176.460.200111.4L21 I22 N27 E28 I29 A302L21-M25 WeakPolarHBondContact O-CG 3.36Å; L21-M25 PolarHBondContact O-N 2.91Å; I22-M25 WeakPolarHBondContact O-CA 3.3Å; I22-M25 WeakPolarHBondContact O-CB 2.89Å; I22-M25 PolarHBondContact O-N 3.17Å; M25-N27 VanDerWaalsContact C-N 3.32Å; M25-N27 PolarHBondContact O-N 2.74Å; M25-E28 PolarHBondContact O-N 3.19Å; M25-E28 VanDerWaalsContact O-N 3.09Å; M25-I29 HydrophobicContact CB-CD1 4.49Å; M25-I29 WeakPolarHBondContact O-CD1 3.35Å; M25-I29 VanDerWaalsContact O-CG1 3.3Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 3.12Å; M25-A302 HydrophobicContact CE-CB 3.84Å
26E55.7Low70.6Confident75 Ų7565.8 Ų65.835%0.3535%0.347SS..Hα-helixtrans-59.4-41.1-176.7-68.6173.7162.500112.1I22 E28 I29 G38I22-E26 VanDerWaalsContact CG2-CD 3.43Å; I22-E26 HydrophobicContact CG2-CG 3.91Å; I22-E26 VanDerWaalsContact CG2-OE1 3.28Å; I22-E26 WeakPolarHBondContact CG2-OE1 3.43Å; I22-E26 PolarHBondContact O-N 3.4Å; E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 3.4Å; E26-I29 PolarHBondContact O-N 2.75Å; E26-G38 WeakPolarHBondContact O-CA 3.25Å; E26-G38 PolarHBondContact O-N 2.79Å
27N55.3Low70.8Confident124 Ų12466.1 Ų66.166%0.66335%0.354SS*.THydrogen-bonded Turntrans-70.8-13.7179-75.2-66.5000114.6V23 M25V23-N27 PolarHBondContact O-ND2 3.12Å; M25-N27 VanDerWaalsContact C-N 3.32Å; M25-N27 PolarHBondContact O-N 2.74Å
28E58.9Low70.4Confident91 Ų9168 Ų6843%0.42538%0.375SS..THydrogen-bonded Turntrans-112.26.8175-74.3-165.1-16500113.7M25 E26 K301M25-E28 PolarHBondContact O-N 3.19Å; M25-E28 VanDerWaalsContact O-N 3.09Å; E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 3.4Å; E28-K301 WeakPolarHBondContact OE2-CE 3.49Å; E28-K301 IonicContact OE2-NZ 3.98Å; E28-K301 PolarHBondContact OE2-NZ 2.75Å
29I63.5Low70.5Confident14 Ų1465.5 Ų65.57%0.07237%0.366CS..  trans-93.9115.6174.1-71.9163.6000109.1M25 E26 S37 G38 M44M25-I29 HydrophobicContact CB-CD1 4.49Å; M25-I29 WeakPolarHBondContact O-CD1 3.35Å; M25-I29 VanDerWaalsContact O-CG1 3.3Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 3.12Å; E26-I29 PolarHBondContact O-N 2.75Å; I29-S37 WeakPolarHBondContact O-CA 3.45Å; I29-S37 VanDerWaalsContact O-CB 3.31Å; I29-S37 WeakPolarHBondContact O-CB 3.26Å; I29-G38 PolarHBondContact O-N 3.18Å; I29-M44 HydrophobicContact CG2-CB 3.88Å; I29-M44 HydrophobicContact CG2-CE 3.68Å; I29-M44 HydrophobicContact CG2-CG 3.87Å
30V76.8Confident70.3Confident79 Ų7964.5 Ų64.548%0.47936%0.356SS..BIsolated β-bridgetrans-134.1136.3179.6-171.40000108.9L36V30-L36 CarbonylContact C-O 3.38Å; V30-L36 WeakPolarHBondContact CA-O 3.47Å
31C78.6Confident69.6Low3 Ų366.8 Ų66.82%0.0236%0.364CS..  trans-68.5127.8176-178.10000110.4F33 L36 M44 H47C31-F33 PolarHBondContact O-N 3.06Å; C31-F33 PolarHBondContact SG-N 3.37Å; C31-L36 HydrophobicContact CB-CB 4.14Å; C31-L36 PolarHBondContact N-O 3.22Å; C31-M44 HydrophobicContact CB-CE 3.9Å; C31-M44 HydrophobicContact CB-SD 3.58Å; C31-M44 VanDerWaalsContact CB-SD 3.58Å; C31-M44 VanDerWaalsContact N-CE 3.33Å; C31-H47 PolarHBondContact SG-NE2 2.78Å
32P69.4Low69.7Low86 Ų8671.8 Ų71.856%0.55839%0.391SS*.THydrogen-bonded Turntrans-69.6-15.6179.228.5-34.6000113.5
33F76.1Confident70.2Confident67 Ų6773.2 Ų73.229%0.29440%0.396SS..THydrogen-bonded Turntrans-106.6-8.4-175.1-52.3-66000114.1C31 I48 H52C31-F33 PolarHBondContact O-N 3.06Å; C31-F33 PolarHBondContact SG-N 3.37Å; F33-I48 HydrophobicContact CD2-CG1 4.41Å; F33-I48 HydrophobicContact CD2-CG2 4.27Å; F33-I48 HydrophobicContact CE2-CG2 3.88Å; F33-H52 HydrophobicContact CB-CB 4.28Å; F33-H52 VanDerWaalsContact CB-CE1 3.41Å; F33-H52 WeakPolarHBondContact CB-CE1 3.18Å; F33-H52 VanDerWaalsContact CB-ND1 3.26Å; F33-H52 WeakPolarHBondContact CB-ND1 3.48Å; F33-H52 HydrophobicContact CD2-CB 3.82Å; F33-H52 AromaticContact CD2-CG 3.88Å; F33-H52 HydrophobicContact CE2-CB 4.48Å; F33-H52 HydrophobicContact CG-CB 4.21Å; F33-H52 AromaticContact CG-CG 3.99Å; F33-H52 PolarHBondContact O-CE1 3.16Å
34C80.7Confident71Confident52 Ų5269.7 Ų69.735%0.35137%0.374SS..SBendtrans-149.4-153.4177.779.10000112.4L36 H47C34-L36 PolarHBondContact SG-N 3.47Å; C34-L36 VanDerWaalsContact SG-N 3.36Å; C34-H47 PolarHBondContact SG-NE2 2.89Å
35K80.8Confident71.4Confident198 Ų19868.8 Ų68.886%0.86137%0.373SS*.SBendtrans-112.716.8178.8-63.7-171.1178.4-176.10113.9
36L77.9Confident72.3Confident59 Ų5972.1 Ų72.131%0.30939%0.386SS..  trans-71.6129.5174.7-172.865.4000110.1V30 C31 C34 V39 M44 H47V30-L36 CarbonylContact C-O 3.38Å; V30-L36 WeakPolarHBondContact CA-O 3.47Å; C31-L36 HydrophobicContact CB-CB 4.14Å; C31-L36 PolarHBondContact N-O 3.22Å; C34-L36 PolarHBondContact SG-N 3.47Å; C34-L36 VanDerWaalsContact SG-N 3.36Å; L36-V39 HydrophobicContact CD1-CG1 4.21Å; L36-V39 HydrophobicContact CD2-CG2 4.12Å; L36-V39 HydrophobicContact CG-CG1 4.4Å; L36-V39 HydrophobicContact CG-CG2 4.26Å; L36-M44 HydrophobicContact CB-CE 4.49Å; L36-M44 HydrophobicContact CD2-CE 4.31Å; L36-M44 HydrophobicContact CG-CE 4.28Å; L36-H47 HydrophobicContact CD2-CB 3.97Å; L36-H47 VanDerWaalsContact CD2-CD2 3.49Å; L36-H47 WeakPolarHBondContact CD2-CD2 3.3Å; L36-H47 VanDerWaalsContact CD2-CG 3.43Å
37S81.3Confident73.7Confident70 Ų7070.1 Ų70.149%0.4938%0.376SS..BIsolated β-bridgetrans-150.8165173.5620000110.6I29I29-S37 WeakPolarHBondContact O-CA 3.45Å; I29-S37 VanDerWaalsContact O-CB 3.31Å; I29-S37 WeakPolarHBondContact O-CB 3.26Å
38G70.9Confident74.9Confident46 Ų4665.6 Ų65.647%0.47435%0.352SS..SBendtrans74.635.3179.700000114E26 I29E26-G38 WeakPolarHBondContact O-CA 3.25Å; E26-G38 PolarHBondContact O-N 2.79Å; I29-G38 PolarHBondContact O-N 3.18Å
39V73.9Confident75.9Confident30 Ų3067.3 Ų67.318%0.18236%0.36CS..  trans-125.6160.6173.7-620000109.7L36 E43 M44L36-V39 HydrophobicContact CD1-CG1 4.21Å; L36-V39 HydrophobicContact CD2-CG2 4.12Å; L36-V39 HydrophobicContact CG-CG1 4.4Å; L36-V39 HydrophobicContact CG-CG2 4.26Å; V39-E43 HydrophobicContact CB-CB 4.2Å; V39-E43 HydrophobicContact CG2-CB 4.47Å; V39-M44 HydrophobicContact CG2-CB 4.18Å; V39-M44 HydrophobicContact CG2-CE 3.68Å
40S69.8Low76.7Confident38 Ų3870.5 Ų70.527%0.26638%0.38SS..  trans-66.7164.717969.70000112.5D42 E43 M44S40-D42 PolarHBondContact O-N 3.16Å; S40-E43 VanDerWaalsContact CB-OE2 3.27Å; S40-E43 WeakPolarHBondContact CB-OE2 3.28Å; S40-E43 PolarHBondContact N-OE2 3.29Å; S40-E43 PolarHBondContact O-N 3Å; S40-E43 WeakPolarHBondContact OG-CB 3.16Å; S40-E43 VanDerWaalsContact OG-CD 3.26Å; S40-E43 VanDerWaalsContact OG-CG 3.25Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 3.13Å; S40-E43 PolarHBondContact OG-OE2 3.46Å; S40-M44 WeakPolarHBondContact O-CB 3.3Å; S40-M44 PolarHBondContact O-N 2.82Å
41Y65.9Low76.7Confident73 Ų7369.6 Ų69.629%0.28638%0.381SS..Hα-helixtrans-60.3-43.4179.4172.6-100.9000112.6M44 C45 S295 H298Y41-M44 PolarHBondContact O-N 2.74Å; Y41-C45 PolarHBondContact O-N 2.91Å; Y41-S295 PolarHBondContact OH-O 3.47Å; Y41-H298 HydrophobicContact CD2-CB 3.93Å; Y41-H298 HydrophobicContact CE2-CB 3.59Å
42D69.8Low76.8Confident121 Ų12170.3 Ų70.365%0.64738%0.384SS*.Hα-helixtrans-68.9-38.1-178.5-62.8-33.5000111.5S40 C45 F46S40-D42 PolarHBondContact O-N 3.16Å; D42-C45 PolarHBondContact O-N 2.85Å; D42-F46 WeakPolarHBondContact O-CB 3.12Å; D42-F46 PolarHBondContact O-N 3.49Å
43E76.8Confident76.5Confident111 Ų11172.6 Ų72.652%0.51939%0.385SS..Hα-helixtrans-65.7-37.8171.9-69.8168.4127.900112.2V39 S40 F46 H47V39-E43 HydrophobicContact CB-CB 4.2Å; V39-E43 HydrophobicContact CG2-CB 4.47Å; S40-E43 VanDerWaalsContact CB-OE2 3.27Å; S40-E43 WeakPolarHBondContact CB-OE2 3.28Å; S40-E43 PolarHBondContact N-OE2 3.29Å; S40-E43 PolarHBondContact O-N 3Å; S40-E43 WeakPolarHBondContact OG-CB 3.16Å; S40-E43 VanDerWaalsContact OG-CD 3.26Å; S40-E43 VanDerWaalsContact OG-CG 3.25Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-N 3.13Å; S40-E43 PolarHBondContact OG-OE2 3.46Å; E43-F46 PolarHBondContact O-N 2.93Å; E43-H47 WeakPolarHBondContact O-CB 3.49Å; E43-H47 PolarHBondContact O-N 3.48Å
44M82.2Confident75.7Confident6 Ų676.7 Ų76.73%0.0341%0.405CS..Hα-helixtrans-66.8-41.7175.2-177.256.271.200111.7I29 C31 L36 V39 S40 Y41 H47 I48I29-M44 HydrophobicContact CG2-CB 3.88Å; I29-M44 HydrophobicContact CG2-CE 3.68Å; I29-M44 HydrophobicContact CG2-CG 3.87Å; C31-M44 HydrophobicContact CB-CE 3.9Å; C31-M44 HydrophobicContact CB-SD 3.58Å; C31-M44 VanDerWaalsContact CB-SD 3.58Å; C31-M44 VanDerWaalsContact N-CE 3.33Å; L36-M44 HydrophobicContact CB-CE 4.49Å; L36-M44 HydrophobicContact CD2-CE 4.31Å; L36-M44 HydrophobicContact CG-CE 4.28Å; V39-M44 HydrophobicContact CG2-CB 4.18Å; V39-M44 HydrophobicContact CG2-CE 3.68Å; S40-M44 WeakPolarHBondContact O-CB 3.3Å; S40-M44 PolarHBondContact O-N 2.82Å; Y41-M44 PolarHBondContact O-N 2.74Å; M44-H47 PolarHBondContact O-N 2.82Å; M44-I48 HydrophobicContact CG-CD1 4.02Å; M44-I48 VanDerWaalsContact O-CG1 3.31Å; M44-I48 WeakPolarHBondContact O-CG1 3.48Å; M44-I48 PolarHBondContact O-N 3.06Å; M44-I48 HydrophobicContact SD-CD1 4.05Å; M44-I48 HydrophobicContact SD-CG1 4.24Å
45C74.1Confident74.4Confident31 Ų3178.9 Ų78.921%0.20941%0.41CS..Hα-helixtrans-61.5-49.5173-81.10000111.4Y41 D42 H47 I48 E49Y41-C45 PolarHBondContact O-N 2.91Å; D42-C45 PolarHBondContact O-N 2.85Å; C45-H47 VanDerWaalsContact C-N 3.31Å; C45-H47 PolarHBondContact O-N 3.39Å; C45-I48 PolarHBondContact O-N 2.75Å; C45-E49 WeakPolarHBondContact O-CG 3.1Å; C45-E49 PolarHBondContact O-N 2.69Å
46F79.6Confident73Confident140 Ų14072.4 Ų72.461%0.61439%0.385SS*.Hα-helixtrans-59.9-40.2176.2-177.8-99.1000112.2D42 E43 E49 T50D42-F46 WeakPolarHBondContact O-CB 3.12Å; D42-F46 PolarHBondContact O-N 3.49Å; E43-F46 PolarHBondContact O-N 2.93Å; F46-E49 PolarHBondContact O-N 3.46Å; F46-T50 HydrophobicContact CD1-CG2 4.3Å; F46-T50 HydrophobicContact CD2-CG2 4.16Å; F46-T50 HydrophobicContact CE1-CG2 3.94Å; F46-T50 HydrophobicContact CE2-CG2 3.8Å; F46-T50 HydrophobicContact CG-CG2 4.41Å; F46-T50 HydrophobicContact CZ-CG2 3.68Å; F46-T50 WeakPolarHBondContact O-CB 3.47Å; F46-T50 WeakPolarHBondContact O-CG2 3.42Å; F46-T50 PolarHBondContact O-N 2.88Å; F46-T50 PolarHBondContact O-OG1 3.05Å
47H84.4Confident71.7Confident34 Ų3472 Ų7216%0.15739%0.385CS..Hα-helixtrans-62-45.6174.616665.1000112.2C31 C34 L36 E43 M44 C45 T50 A51 H52C31-H47 PolarHBondContact SG-NE2 2.78Å; C34-H47 PolarHBondContact SG-NE2 2.89Å; L36-H47 HydrophobicContact CD2-CB 3.97Å; L36-H47 VanDerWaalsContact CD2-CD2 3.49Å; L36-H47 WeakPolarHBondContact CD2-CD2 3.3Å; L36-H47 VanDerWaalsContact CD2-CG 3.43Å; E43-H47 WeakPolarHBondContact O-CB 3.49Å; E43-H47 PolarHBondContact O-N 3.48Å; M44-H47 PolarHBondContact O-N 2.82Å; C45-H47 VanDerWaalsContact C-N 3.31Å; C45-H47 PolarHBondContact O-N 3.39Å; H47-T50 PolarHBondContact O-N 3.28Å; H47-A51 VanDerWaalsContact O-CB 3.23Å; H47-A51 WeakPolarHBondContact O-CB 3.34Å; H47-A51 PolarHBondContact O-N 3.34Å; H47-H52 AromaticContact CE1-CD2 3.89Å; H47-H52 AromaticContact CE1-NE2 3.65Å; H47-H52 AromaticContact NE2-CD2 3.6Å; H47-H52 AromaticContact NE2-NE2 3.43Å; H47-H52 PolarHBondContact NE2-NE2 3.06Å
48I80.8Confident70Confident28 Ų2873.5 Ų73.514%0.14439%0.387CS..Hα-helixtrans-65.1-41.1177.7-70.1166.1000111F33 M44 C45 H52F33-I48 HydrophobicContact CD2-CG1 4.41Å; F33-I48 HydrophobicContact CD2-CG2 4.27Å; F33-I48 HydrophobicContact CE2-CG2 3.88Å; M44-I48 HydrophobicContact CG-CD1 4.02Å; M44-I48 VanDerWaalsContact O-CG1 3.31Å; M44-I48 WeakPolarHBondContact O-CG1 3.48Å; M44-I48 PolarHBondContact O-N 3.06Å; M44-I48 HydrophobicContact SD-CD1 4.05Å; M44-I48 HydrophobicContact SD-CG1 4.24Å; C45-I48 PolarHBondContact O-N 2.75Å; I48-H52 CarbonylContact O-C 3.44Å; I48-H52 WeakPolarHBondContact O-CA 3.15Å; I48-H52 WeakPolarHBondContact O-CB 3.41Å; I48-H52 PolarHBondContact O-N 3.04Å
49E80.2Confident69.1Low127 Ų12777 Ų7759%0.59339%0.391SS*.Hα-helixtrans-70-30.3179.3-72.2-177.7175.300113.2C45 F46 F53C45-E49 WeakPolarHBondContact O-CG 3.1Å; C45-E49 PolarHBondContact O-N 2.69Å; F46-E49 PolarHBondContact O-N 3.46Å; E49-F53 WeakPolarHBondContact O-CD2 3.32Å
50T80.4Confident67.8Low81 Ų8184.2 Ų84.250%0.49742%0.415SS..Hα-helixtrans-95.8-42.9-177.354.30000114F46 H47F46-T50 HydrophobicContact CD1-CG2 4.3Å; F46-T50 HydrophobicContact CD2-CG2 4.16Å; F46-T50 HydrophobicContact CE1-CG2 3.94Å; F46-T50 HydrophobicContact CE2-CG2 3.8Å; F46-T50 HydrophobicContact CG-CG2 4.41Å; F46-T50 HydrophobicContact CZ-CG2 3.68Å; F46-T50 WeakPolarHBondContact O-CB 3.47Å; F46-T50 WeakPolarHBondContact O-CG2 3.42Å; F46-T50 PolarHBondContact O-N 2.88Å; F46-T50 PolarHBondContact O-OG1 3.05Å; H47-T50 PolarHBondContact O-N 3.28Å
51A77.3Confident66.2Low60 Ų6086.4 Ų86.450%0.49642%0.424SS..Hα-helixtrans-92.4-21.6-174.900000113.9H47H47-A51 VanDerWaalsContact O-CB 3.23Å; H47-A51 WeakPolarHBondContact O-CB 3.34Å; H47-A51 PolarHBondContact O-N 3.34Å
52H80.1Confident65.1Low18 Ų1889.7 Ų89.78%0.08344%0.44CS..SBendtrans-120.517.9-175.4-63.8-71.8000113.4F33 H47 I48 E54 Q55 N56F33-H52 HydrophobicContact CB-CB 4.28Å; F33-H52 VanDerWaalsContact CB-CE1 3.41Å; F33-H52 WeakPolarHBondContact CB-CE1 3.18Å; F33-H52 VanDerWaalsContact CB-ND1 3.26Å; F33-H52 WeakPolarHBondContact CB-ND1 3.48Å; F33-H52 HydrophobicContact CD2-CB 3.82Å; F33-H52 AromaticContact CD2-CG 3.88Å; F33-H52 HydrophobicContact CE2-CB 4.48Å; F33-H52 HydrophobicContact CG-CB 4.21Å; F33-H52 AromaticContact CG-CG 3.99Å; F33-H52 PolarHBondContact O-CE1 3.16Å; H47-H52 AromaticContact CE1-CD2 3.89Å; H47-H52 AromaticContact CE1-NE2 3.65Å; H47-H52 AromaticContact NE2-CD2 3.6Å; H47-H52 AromaticContact NE2-NE2 3.43Å; H47-H52 PolarHBondContact NE2-NE2 3.06Å; I48-H52 CarbonylContact O-C 3.44Å; I48-H52 WeakPolarHBondContact O-CA 3.15Å; I48-H52 WeakPolarHBondContact O-CB 3.41Å; I48-H52 PolarHBondContact O-N 3.04Å; H52-E54 PolarHBondContact O-N 2.72Å; H52-Q55 PolarHBondContact ND1-OE1 3.18Å; H52-Q55 PolarHBondContact O-N 3Å; H52-Q55 VanDerWaalsContact O-N 3.15Å; H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 3.02Å
53F64.5Low63.9Low135 Ų13589.8 Ų89.859%0.59244%0.436SS*.Hα-helixtrans-48.7-51.3-177.3-171.6-97.9000113.6E49 Q55 N56 T57E49-F53 WeakPolarHBondContact O-CD2 3.32Å; F53-Q55 PolarHBondContact O-N 2.75Å; F53-N56 PolarHBondContact O-N 3.44Å; F53-T57 HydrophobicContact CE1-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CG2 3.42Å; F53-T57 PolarHBondContact O-N 3.22Å; F53-T57 PolarHBondContact O-OG1 3.16Å
54E57.3Low62.3Low153 Ų15393.3 Ų93.372%0.71545%0.445SS*.Hα-helixtrans-66.4-39.5-178.2-64.2-168.3156.700112.5H52 T57 L58H52-E54 PolarHBondContact O-N 2.72Å; E54-T57 WeakPolarHBondContact CA-OG1 3.36Å; E54-T57 PolarHBondContact O-N 2.94Å; E54-T57 PolarHBondContact O-OG1 3.34Å; E54-L58 PolarHBondContact O-N 2.71Å
55Q55.4Low60.3Low97 Ų9798.8 Ų98.845%0.45347%0.473SS..Hα-helixtrans-65.7-43.1177.6-67.2175.2-49.900111.2H52 F53 T57 L58 E59H52-Q55 PolarHBondContact ND1-OE1 3.18Å; H52-Q55 PolarHBondContact O-N 3Å; H52-Q55 VanDerWaalsContact O-N 3.15Å; F53-Q55 PolarHBondContact O-N 2.75Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.1Å; Q55-L58 PolarHBondContact O-N 2.79Å; Q55-L58 VanDerWaalsContact O-N 3.08Å; Q55-E59 PolarHBondContact O-N 3Å
56N49.8Very low58.6Low62 Ų62103.6 Ų103.633%0.33250%0.497SS..Hα-helixtrans-61.9-35.7174.7-165-19.7000111.8H52 F53H52-N56 WeakPolarHBondContact O-CB 3.32Å; H52-N56 PolarHBondContact O-N 3.02Å; F53-N56 PolarHBondContact O-N 3.44Å
57T51.8Low56.7Low51 Ų51102.4 Ų102.431%0.31350%0.501SS..Hα-helixtrans-74.7-25172.162.20000114.5F53 E54 Q55 N61F53-T57 HydrophobicContact CE1-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CG2 3.42Å; F53-T57 PolarHBondContact O-N 3.22Å; F53-T57 PolarHBondContact O-OG1 3.16Å; E54-T57 WeakPolarHBondContact CA-OG1 3.36Å; E54-T57 PolarHBondContact O-N 2.94Å; E54-T57 PolarHBondContact O-OG1 3.34Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.1Å; T57-N61 PolarHBondContact O-N 2.6Å; T57-N61 VanDerWaalsContact O-N 3.16Å; T57-N61 PolarHBondContact O-ND2 2.87Å
58L46.1Very low54.4Low102 Ų102106.2 Ų106.253%0.53453%0.527SS..Hα-helixtrans-71.3-45.2178.5-82.6164.4000111.9E54 Q55 R60 N61 F62E54-L58 PolarHBondContact O-N 2.71Å; Q55-L58 PolarHBondContact O-N 2.79Å; Q55-L58 VanDerWaalsContact O-N 3.08Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 3.28Å; L58-N61 PolarHBondContact O-N 2.62Å; L58-N61 VanDerWaalsContact O-N 3.13Å; L58-F62 PolarHBondContact O-N 2.81Å
59E50.8Low52.3Low119 Ų119113.4 Ų113.456%0.55656%0.56SS**Hα-helixtrans-57.2-48.1174.4-65-172.7136.700110.8Q55 N61 F62 E63Q55-E59 PolarHBondContact O-N 3Å; E59-N61 PolarHBondContact O-N 3.38Å; E59-N61 VanDerWaalsContact O-N 3.15Å; E59-F62 WeakPolarHBondContact O-CB 3.5Å; E59-F62 PolarHBondContact O-N 2.88Å; E59-E63 PolarHBondContact O-N 3.42Å; E59-E63 VanDerWaalsContact O-N 3.14Å
60R46.8Very low49.9Very low182 Ų182117.6 Ų117.669%0.68758%0.576SS**Hα-helixtrans-61.7-21.1178.2-161.6174.3-175.1178.52.3114.5L58L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 3.28Å
61N37.2Very low47.5Very low83 Ų83117.3 Ų117.344%0.44459%0.589SS.*Hα-helixtrans-89.9-32.9173-79.1-51.8000112.5T57 L58 E59 E63 R64 I65T57-N61 PolarHBondContact O-N 2.6Å; T57-N61 VanDerWaalsContact O-N 3.16Å; T57-N61 PolarHBondContact O-ND2 2.87Å; L58-N61 PolarHBondContact O-N 2.62Å; L58-N61 VanDerWaalsContact O-N 3.13Å; E59-N61 PolarHBondContact O-N 3.38Å; E59-N61 VanDerWaalsContact O-N 3.15Å; N61-E63 VanDerWaalsContact C-N 3.35Å; N61-R64 PolarHBondContact O-N 3.05Å; N61-I65 PolarHBondContact O-N 2.7Å
62F42Very low45.2Very low142 Ų142121.5 Ų121.562%0.62361%0.609SS**Hα-helixtrans-62.7-38.6173.1-99.1-83.5000112.6L58 E59 R64 I65 N66L58-F62 PolarHBondContact O-N 2.81Å; E59-F62 WeakPolarHBondContact O-CB 3.5Å; E59-F62 PolarHBondContact O-N 2.88Å; F62-R64 VanDerWaalsContact C-N 3.25Å; F62-R64 PolarHBondContact O-N 3.42Å; F62-I65 PolarHBondContact O-N 3.29Å; F62-N66 PolarHBondContact O-N 3.13Å; F62-N66 PolarHBondContact O-ND2 2.8Å
63E45.4Very low42.7Very low123 Ų123125.4 Ų125.458%0.57564%0.638SS**Hα-helixtrans-55.7-42.3172.9-67.6-174.713500112E59 N61 I65 N66 T67E59-E63 PolarHBondContact O-N 3.42Å; E59-E63 VanDerWaalsContact O-N 3.14Å; N61-E63 VanDerWaalsContact C-N 3.35Å; E63-I65 PolarHBondContact O-N 2.67Å; E63-N66 PolarHBondContact O-N 3.01Å; E63-T67 PolarHBondContact O-OG1 2.91Å
64R41.3Very low41Very low186 Ų186126.4 Ų126.470%0.70265%0.65SS**Hα-helixtrans-73-25.9-173-151178.1-164.4-178.64.3113.7N61 F62 V68N61-R64 PolarHBondContact O-N 3.05Å; F62-R64 VanDerWaalsContact C-N 3.25Å; F62-R64 PolarHBondContact O-N 3.42Å; R64-V68 WeakPolarHBondContact O-CG2 3.45Å
65I42Very low39.7Very low121 Ų121125.6 Ų125.662%0.62165%0.65SS**Hα-helixtrans-76.7-38.9177.4-67168.5000110.4N61 F62 E63 T67N61-I65 PolarHBondContact O-N 2.7Å; F62-I65 PolarHBondContact O-N 3.29Å; E63-I65 PolarHBondContact O-N 2.67Å; I65-T67 VanDerWaalsContact C-N 3.26Å; I65-T67 PolarHBondContact O-N 3.03Å
66N37.8Very low38.5Very low132 Ų132131 Ų13171%0.70667%0.672SS**Hα-helixtrans-71.7-14-177.5-73.1-45000114.4F62 E63F62-N66 PolarHBondContact O-N 3.13Å; F62-N66 PolarHBondContact O-ND2 2.8Å; E63-N66 PolarHBondContact O-N 3.01Å
67T39Very low37.5Very low115 Ų115136.6 Ų136.671%0.70669%0.693SS**THydrogen-bonded Turntrans-88-6.5-179.9-7.70000114.8E63 I65E63-T67 PolarHBondContact O-OG1 2.91Å; I65-T67 VanDerWaalsContact C-N 3.26Å; I65-T67 PolarHBondContact O-N 3.03Å
68V37.5Very low36.4Very low114 Ų114140.3 Ų140.369%0.69171%0.712SS**SBendtrans-99.1-12.8-166.7-1780000113.8R64 F70R64-V68 WeakPolarHBondContact O-CG2 3.45Å; V68-F70 PolarHBondContact O-N 2.81Å
69Q34.7Very low35.5Very low179 Ų179141.8 Ų141.884%0.83672%0.72SS**SBendtrans-96.743.2-180-70.4-163.4-10.300115.1
70F31.7Very low34.4Very low215 Ų215141.7 Ų141.794%0.94373%0.728SS**SBendtrans-161.887.6152.9-102-66.6000110.5V68V68-F70 PolarHBondContact O-N 2.81Å
71G28.3Very low33.6Very low74 Ų74140.9 Ų140.976%0.76374%0.736SS**  trans-153122.7176.600000110.9
72T30.2Very low33.1Very low149 Ų149145.4 Ų145.491%0.91476%0.755SS**  trans-75.3147.5-171.6-25.10000112.3
73S27.7Very low32.4Very low100 Ų100144.8 Ų144.870%0.69977%0.767SS**  trans-55.9131.8172.2156.20000112.7
74D29.1Very low31.4Very low156 Ų156141.9 Ų141.983%0.83477%0.77SS**  trans-145.7154.8147.6-138.6-27000112.3
75N29.3Very low30.8Very low135 Ų135142.3 Ų142.372%0.72278%0.782SS**  trans-99.8135-161-76.1-90.4000114.7
76K30.4Very low30Very low210 Ų210144.7 Ų144.791%0.91379%0.791SS**  trans-163.7158.4137.6-110.3155.2-170.61730113.9
77K29.2Very low29.4Very low180 Ų180145.1 Ų145.178%0.78380%0.798SS**  trans-81.9161.7177.2-49.8173.7176.5178.20109.6
78D27.2Very low28.8Very low130 Ų130146.3 Ų146.370%0.69580%0.8SS**  -167.8150.161.1-90.8-48.8000114.2
79N28.4Very low28.3Very low132 Ų132146.2 Ų146.271%0.70680%0.804SS**  trans50112.3141.1-63-27.6000123.5
80T27.6Very low27.8Very low118 Ų118142.8 Ų142.872%0.72480%0.8SS**  73.2100.5112.1-53.90000120.5
81L29.8Very low27.6Very low165 Ų165140 Ų14086%0.86479%0.793SS**  -169.9140.2101.9-115.1155.9000114.8
82Q26.5Very low27.5Very low178 Ų178144.2 Ų144.283%0.83280%0.797SS**  trans-85.1129.4-171.2167.2-170.89.700114.1
83C26.8Very low27.4Very low129 Ų129142.6 Ų142.687%0.87279%0.792SS**  trans-167.6137143-158.40000110.2
84G25.7Very low27.2Very low62 Ų62141 Ų14164%0.63979%0.792SS**  cis142.363.7-8.300000115.1
85M27.3Very low27Very low195 Ų195140.2 Ų140.296%0.96180%0.797SS**  trans-159.1127162.5-118.3174170.800112.1
86E25.5Very low26.9Very low171 Ų171138.3 Ų138.380%0.79980%0.8SS**  trans-102.1146.9171.6-59.5-178.4140.800110.2
87V26.6Very low26.8Very low141 Ų141132.7 Ų132.786%0.85579%0.787SS**  trans-139.6115149.6-175.60000108.5
88N25.9Very low26.6Very low140 Ų140131.2 Ų131.275%0.74979%0.787SS**  trans-98.8134.5169.5-86.5-64.2000110.1
89S25.7Very low26.6Very low112 Ų112133 Ų13378%0.78379%0.791SS**  trans-154.897.4158.1630000111.9
90S24.9Very low26.8Very low107 Ų107132.2 Ų132.275%0.74879%0.793SS**  trans-69.4161166.8-45.20000111.4
91I28.2Very low26.8Very low155 Ų155134.8 Ų134.880%0.79579%0.794SS**  167.2126.9124.1-89.4167000115.2
92L26.5Very low26.5Very low164 Ų164133.4 Ų133.486%0.85979%0.788SS**  trans63.5147.3149.3-76.2172.7000126.1
93S27.1Very low26.4Very low115 Ų115129.4 Ų129.480%0.80478%0.78SS**  trans82.5126.3150.5-138.40000118.9
94G23.1Very low26.3Very low67 Ų67127.3 Ų127.369%0.69177%0.767SS**  cis126.8103.5-14.500000115.5
95C26.3Very low26.3Very low139 Ų139133.5 Ų133.594%0.93978%0.779SS**  trans-158142.1158.6-129.90000110.8
96A26.1Very low26.1Very low95 Ų95129.7 Ų129.779%0.78577%0.77SS**  trans-103.7-176.217200000109.3
97S27.5Very low26Very low91 Ų91128.3 Ų128.364%0.63677%0.767SS**  cis-165.415615.8-177.50000110.3
98N26Very low25.8Very low149 Ų149127.2 Ų127.280%0.79776%0.761SS**  158.3116.7119.3-78.5-27.8000114.2
99H27.4Very low25.8Very low167 Ų167128.5 Ų128.577%0.77376%0.76SS**  trans-102156.1156.4-88.7-62.8000109.2
100P32.6Very low25.7Very low116 Ų116129.1 Ų129.175%0.75376%0.755SS**  -104.4149.396.5-17.834.5000111.7
101K27.1Very low25.7Very low172 Ų172129.8 Ų129.875%0.74876%0.759SS**  cis69.5134.742-64.2-172.2178.4179.50112.3
102N24.1Very low25.4Very low137 Ų137128.4 Ų128.473%0.73376%0.758SS**  cis-162.6158.917.9-135.316.6000114.3
103S23.2Very low25.3Very low94 Ų94127.5 Ų127.566%0.65776%0.759SS**  trans72.6140.7132.3-169.70000121.2
104S25.6Very low25.1Very low85 Ų85131 Ų13159%0.59476%0.76SS**  cis-168.3156.6-14.5-91.30000113
105Q25.4Very low25.1Very low192 Ų192136.8 Ų136.890%0.89777%0.769SS**  trans69.7146142.2-74.9164.4-26.700121.9
106C22.6Very low24.9Very low114 Ų114138.5 Ų138.577%0.7776%0.763SS**  trans-128.7157.3171.2168.80000107
107L23.9Very low24.7Very low143 Ų143138.6 Ų138.675%0.74975%0.754SS**  trans166.5129.6135.7-90.1161.9000113.1
108T23.1Very low24.5Very low117 Ų117142.5 Ų142.572%0.71876%0.76SS**  trans66.3148148.360.80000119.6
109K26Very low24.2Very low168 Ų168145.2 Ų145.273%0.7376%0.76SS**  cis-160.4162.2-2.9-125.2178.8168.6-157.70112.5
110D22.7Very low24Very low125 Ų125141.4 Ų141.467%0.66875%0.752SS**  trans35.9124.4151.8-53-37000119.2
111S24.6Very low23.6Very low121 Ų121142.7 Ų142.785%0.84675%0.748SS**  -168.7162.874.633.90000115.7
112T22.9Very low23.5Very low125 Ų125140.2 Ų140.277%0.76774%0.743SS**  trans-47149.4-176.346.20000119.6
113V24.6Very low23.6Very low146 Ų146140.4 Ų140.489%0.88574%0.743SS**  -155.3161.1104.9146.70000109.4
114K22.9Very low23.6Very low187 Ų187140.7 Ų140.781%0.81374%0.741SS**  trans-103.6160.8-168.9-54.3174.9-178.2177.70112.8
115H22.9Very low23.6Very low190 Ų190143.5 Ų143.588%0.8875%0.745SS**  trans-149.6108164.1-122.8-78.6000113.8
116E22.2Very low23.6Very low175 Ų175137.6 Ų137.682%0.81873%0.725SS**  trans-162.7151.6168.8-80.3-156.8139.100106.5
117T22.3Very low23.7Very low97 Ų97141.6 Ų141.660%0.59572%0.724SS**  cis-165.4177.9-6.126.90000109.5
118F21.9Very low23.8Very low173 Ų173143.8 Ų143.876%0.75973%0.727SS**  trans75.8112.2157.9-68.7-71.5000123.8
119Y20.8Very low23.8Very low205 Ų205146.5 Ų146.580%0.80473%0.73SS**  48.6129.9119.3-87.6-100.5000124.8
120S23.6Very low23.8Very low88 Ų88145 Ų14562%0.61573%0.729SS**  trans64.6152.9136.4-109.30000120.2
121E23.8Very low23.9Very low143 Ų143147.8 Ų147.867%0.66874%0.735SS**  cis-166.91759.6-147.2160.9-9300112.3
122N24.4Very low23.9Very low120 Ų120146 Ų14664%0.64272%0.722SS**  trans69.7161.4151.4-69.8-34.6000119
123L25.1Very low23.9Very low140 Ų140150.1 Ų150.173%0.73372%0.724SS**  cis-169.9164.3-8.9-108.2169.8000107.8
124T24.1Very low23.9Very low100 Ų100149 Ų14961%0.61371%0.709SS**  cis-156.7150.7-1.2-27.30000110.8
125E25.3Very low24Very low144 Ų144148 Ų14867%0.67370%0.704SS**  trans62.4163.8144.7-92.8-170-13200122R127E125-R127 IonicContact OE1-NH2 3.94Å; E125-R127 IonicContact OE2-CZ 3.84Å; E125-R127 IonicContact OE2-NE 3.93Å; E125-R127 PolarHBondContact OE2-NE 3.3Å; E125-R127 IonicContact OE2-NH2 2.73Å; E125-R127 PolarHBondContact OE2-NH2 2.98Å
126S24.8Very low24.2Very low69 Ų69147.2 Ų147.248%0.48370%0.701SS.*  cis-158.1143.110.1-145.10000116.9
127R25.3Very low24.4Very low198 Ų198144.7 Ų144.775%0.74770%0.703SS**  trans62.3157.5146.4-68.1159.4-149.2-167.89.5117.4E125E125-R127 IonicContact OE1-NH2 3.94Å; E125-R127 IonicContact OE2-CZ 3.84Å; E125-R127 IonicContact OE2-NE 3.93Å; E125-R127 PolarHBondContact OE2-NE 3.3Å; E125-R127 IonicContact OE2-NH2 2.73Å; E125-R127 PolarHBondContact OE2-NH2 2.98Å
128K26.1Very low24.5Very low188 Ų188143.4 Ų143.482%0.81771%0.709SS**  cis-164.9178.60.4-117.6170.5-180-176.20108
129F23.9Very low24.8Very low175 Ų175142.9 Ų142.977%0.76871%0.713SS**  -173.3140.8-59.9-166.418.2000110.2
130L24.6Very low25Very low135 Ų135138.4 Ų138.471%0.70771%0.707SS**  trans70154.8170.5-73.7156.2000117
131K25.2Very low25.1Very low185 Ų185142.6 Ų142.680%0.80472%0.717SS**  cis-153170.914.3-114173.5-179.2176.90107.5
132S24.7Very low25.3Very low82 Ų82141.2 Ų141.257%0.57372%0.718SS**  cis175155.3-30.558.30000111.3
133R24Very low25.4Very low213 Ų213145.2 Ų145.280%0.80473%0.73SS**  trans72.6158.2162.3-71.8-166.1120154.98.2118.8
134E24.8Very low25.4Very low123 Ų123142.2 Ų142.258%0.57573%0.733SS**  cis177.5149.3-33.9-117.5-168.6128.100107.4
135K25Very low25.5Very low164 Ų164142.2 Ų142.271%0.71374%0.737SS**  trans67.4159.7168.6-60.7173.9-178.5-174.10115.5
136Q25.7Very low25.7Very low175 Ų175142.5 Ų142.582%0.81874%0.742SS**  cis-149.7159.9-2.5-134.7156.8-40.500109.8
137S27.5Very low26Very low122 Ų122148.2 Ų148.285%0.85375%0.754SS**  trans-125.1149.5166.554.20000111
138G24.5Very low26.3Very low70 Ų70146.4 Ų146.472%0.72275%0.754SS**  trans-165.5162.2-175.700000111.6
139L26.8Very low26.6Very low162 Ų162143 Ų14385%0.84875%0.749SS**  trans-72172.2-174.4-6075.9000111.4
140T25.6Very low27.1Very low111 Ų111141.1 Ų141.168%0.68175%0.752SS**  cis-165.9143.427.3-15.80000112.4
141E26.8Very low28.2Very low175 Ų175144.5 Ų144.582%0.81876%0.757SS**  trans60.6157132.2-145.6169.4-124.800124.4
142V26.6Very low29.6Very low114 Ų114138.7 Ų138.769%0.69175%0.75SS**  trans92.597.9159.7-166.90000121.4
143K27.1Very low31.3Very low204 Ų204138.6 Ų138.689%0.88775%0.747SS**  trans40.1126.4134.4-56.2177.7-178.8176.10123.7
144G25.1Very low33.3Very low78 Ų78130.9 Ų130.980%0.80473%0.725SS**  trans90.6170.5143.100000117.7
145S26.9Very low35.4Very low99 Ų99130.7 Ų130.769%0.69272%0.724SS**  cis-171.7114.4-18.8-175.70000112.5
146I29.4Very low37.5Very low150 Ų150123 Ų12377%0.76969%0.69SS**  trans73.5156.6166.5-40.3147.3000115.8
147Y31.2Very low39.2Very low189 Ų189120.1 Ų120.174%0.74169%0.687SS**  trans16.3124.6165.580.8-47.7000122.8
148E29.9Very low41.1Very low160 Ų160120.2 Ų120.275%0.74867%0.673SS**  -172.8149.7105-103-179165.400111.2
149T33.5Very low43.3Very low118 Ų118120.2 Ų120.272%0.72466%0.66SS**  trans-125.492.6179.1-52.70000110Y151T149-Y151 HydrophobicContact CG2-CD2 4.17Å; T149-Y151 HydrophobicContact CG2-CE2 3.77Å; T149-Y151 PolarHBondContact O-N 3.46Å
150T35.1Very low45.3Very low135 Ų135114.4 Ų114.483%0.82864%0.64SS**  trans-80.1109.9-179.5-40.80000111.1
151Y47.1Very low47.4Very low205 Ų205113.9 Ų113.980%0.80463%0.628SS**PPolyproline II helixtrans-82.2149.5165.7-78.2-99.6000110.5T149T149-Y151 HydrophobicContact CG2-CD2 4.17Å; T149-Y151 HydrophobicContact CG2-CE2 3.77Å; T149-Y151 PolarHBondContact O-N 3.46Å
152G55.1Low49.4Very low63 Ų63110 Ų11065%0.64961%0.612SS**PPolyproline II helixtrans-80.3161.917400000113.1
153P60.5Low51.1Low81 Ų81106.3 Ų106.353%0.52659%0.588SS.*PPolyproline II helixtrans-67.3149.7-179.227.8-34.8000112.8I162P153-I162 HydrophobicContact CB-CG2 4.12Å; P153-I162 HydrophobicContact CG-CG2 4.01Å
154P64.5Low52.6Low51 Ų51104.6 Ų104.633%0.33158%0.583SS.*PPolyproline II helixtrans-77.9154.2-174.932.1-36.4000114I162 E163 M169P154-I162 WeakPolarHBondContact O-CA 3.48Å; P154-E163 PolarHBondContact O-N 2.63Å; P154-M169 HydrophobicContact CB-CE 4.36Å; P154-M169 HydrophobicContact CG-CE 4.31Å; P154-M169 WeakPolarHBondContact O-CE 3.08Å
155E68.6Low54.5Low119 Ų119107 Ų10756%0.55657%0.572SS**BIsolated β-bridgetrans-116.5139.9177.9-169.4175.9161.200111.4P157 G160 I162E155-P157 WeakPolarHBondContact O-CD 3.32Å; E155-G160 VanDerWaalsContact OE1-CA 3.23Å; E155-G160 WeakPolarHBondContact OE1-CA 3.25Å; E155-I162 HydrophobicContact CB-CG1 3.91Å; E155-I162 HydrophobicContact CG-CG1 3.74Å
156C71.1Confident56Low1 Ų1106.3 Ų106.31%0.00757%0.568CS.*  trans-72.8117.3-179.2-178.20000111.4F158 C159 G160 K161 M169 H172C156-F158 PolarHBondContact O-N 3.33Å; C156-F158 VanDerWaalsContact O-N 3.08Å; C156-C159 PolarHBondContact O-N 2.9Å; C156-C159 VanDerWaalsContact SG-SG 3.68Å; C156-G160 PolarHBondContact O-N 3.31Å; C156-K161 HydrophobicContact CB-CB 4.42Å; C156-K161 WeakPolarHBondContact CB-O 3.36Å; C156-K161 PolarHBondContact N-O 2.97Å; C156-M169 VanDerWaalsContact CA-SD 3.57Å; C156-M169 HydrophobicContact CB-CE 4.17Å; C156-M169 HydrophobicContact CB-SD 3.54Å; C156-M169 VanDerWaalsContact CB-SD 3.54Å; C156-H172 PolarHBondContact SG-NE2 2.88Å
157P60.4Low57.8Low116 Ų116106.7 Ų106.775%0.75357%0.566SS**THydrogen-bonded Turntrans-68.8-11.1-175.128.8-36000114.2E155E155-P157 WeakPolarHBondContact O-CD 3.32Å
158F66.5Low59.5Low124 Ų124101.9 Ų101.954%0.54455%0.553SS.*THydrogen-bonded Turntrans-96.2-18.8-179.5-59.5-72.7000114.2C156 V173C156-F158 PolarHBondContact O-N 3.33Å; C156-F158 VanDerWaalsContact O-N 3.08Å; F158-V173 HydrophobicContact CD2-CG1 4.33Å; F158-V173 HydrophobicContact CD2-CG2 4.36Å; F158-V173 HydrophobicContact CE2-CG1 4.05Å
159C72.1Confident61.2Low69 Ų6995.1 Ų95.147%0.46652%0.522SS..THydrogen-bonded Turntrans-149.5-0.5-176.866.80000116.6C156 K161 H172C156-C159 PolarHBondContact O-N 2.9Å; C156-C159 VanDerWaalsContact SG-SG 3.68Å; C159-K161 VanDerWaalsContact C-N 3.33Å; C159-K161 PolarHBondContact O-N 3.35Å; C159-H172 PolarHBondContact SG-NE2 2.92Å
160G67.8Low62.9Low41 Ų4194.9 Ų94.942%0.42351%0.513SS..  trans72.420.917700000115E155 C156E155-G160 VanDerWaalsContact OE1-CA 3.23Å; E155-G160 WeakPolarHBondContact OE1-CA 3.25Å; C156-G160 PolarHBondContact O-N 3.31Å
161K71.1Confident64.6Low99 Ų9992.1 Ų92.143%0.4350%0.496SS..  trans-85123.8174.7-165.6171.1-171.6-71.50109.8C156 C159 E163 M169C156-K161 HydrophobicContact CB-CB 4.42Å; C156-K161 WeakPolarHBondContact CB-O 3.36Å; C156-K161 PolarHBondContact N-O 2.97Å; C159-K161 VanDerWaalsContact C-N 3.33Å; C159-K161 PolarHBondContact O-N 3.35Å; K161-E163 WeakPolarHBondContact CD-OE1 3.45Å; K161-E163 IonicContact NZ-OE1 3.87Å; K161-E163 PolarHBondContact NZ-OE1 3.32Å; K161-E163 IonicContact NZ-OE2 2.93Å; K161-E163 PolarHBondContact NZ-OE2 3.05Å; K161-M169 WeakPolarHBondContact O-CE 3.29Å
162I67.8Low66Low94 Ų9483.2 Ų83.248%0.48246%0.462SS..BIsolated β-bridgetrans-88.5131.9171.9-58.1172.2000108P153 P154 E155P153-I162 HydrophobicContact CB-CG2 4.12Å; P153-I162 HydrophobicContact CG-CG2 4.01Å; P154-I162 WeakPolarHBondContact O-CA 3.48Å; E155-I162 HydrophobicContact CB-CG1 3.91Å; E155-I162 HydrophobicContact CG-CG1 3.74Å
163E63.2Low66.7Low37 Ų3781.5 Ų81.517%0.17344%0.439CS..  trans-117.8146.3171.5-52.2-68.1-169.800108.8P154 K161 H165 D168 M169 H172P154-E163 PolarHBondContact O-N 2.63Å; K161-E163 WeakPolarHBondContact CD-OE1 3.45Å; K161-E163 IonicContact NZ-OE1 3.87Å; K161-E163 PolarHBondContact NZ-OE1 3.32Å; K161-E163 IonicContact NZ-OE2 2.93Å; K161-E163 PolarHBondContact NZ-OE2 3.05Å; E163-H165 VanDerWaalsContact C-N 3.3Å; E163-H165 PolarHBondContact O-N 3.14Å; E163-D168 HydrophobicContact CB-CB 4.36Å; E163-M169 HydrophobicContact CB-CE 4.05Å; E163-M169 HydrophobicContact CG-CE 3.82Å; E163-H172 IonicContact OE1-CG 2.99Å
164E58.4Low67.3Low168 Ų16883.4 Ų83.479%0.78544%0.438SS*.SBendtrans-72.6-20.8-172.5-63.4-168.215700113.7
165H63.8Low67.7Low127 Ų12786 Ų8659%0.58845%0.453SS*.SBendtrans-132.2150.1179.8-64.54.7000111E163 E167 M169E163-H165 VanDerWaalsContact C-N 3.3Å; E163-H165 PolarHBondContact O-N 3.14Å; H165-E167 PolarHBondContact O-N 3.01Å; H165-M169 PolarHBondContact O-N 3.08Å
166S59.7Low67.6Low85 Ų8584.4 Ų84.459%0.59445%0.452SS*.Hα-helixtrans-75.3-22.8-173.855.40000114.9M169 E170S166-M169 WeakPolarHBondContact O-CB 3.46Å; S166-M169 PolarHBondContact O-N 3.34Å; S166-E170 PolarHBondContact O-N 3.41Å; S166-E170 VanDerWaalsContact O-N 3.15Å
167E65.6Low67.5Low159 Ų15985.7 Ų85.774%0.74346%0.458SS*.Hα-helixtrans-74.1-33.9178.6-61.1179.115600111H165 M169 E170 T171H165-E167 PolarHBondContact O-N 3.01Å; E167-M169 VanDerWaalsContact C-N 3.35Å; E167-E170 PolarHBondContact O-N 2.91Å; E167-T171 PolarHBondContact O-N 3.48Å; E167-T171 VanDerWaalsContact O-N 3.16Å; E167-T171 PolarHBondContact O-OG1 3.5Å; E167-T171 VanDerWaalsContact O-OG1 3.06Å
168D68.1Low67.5Low87 Ų8781.6 Ų81.647%0.46543%0.434SS..Hα-helixtrans-67.1-35.3169.7-64-54.3000111.6E163 T171 H172E163-D168 HydrophobicContact CB-CB 4.36Å; D168-T171 WeakPolarHBondContact CA-OG1 3.25Å; D168-T171 PolarHBondContact O-OG1 3.39Å; D168-T171 VanDerWaalsContact O-OG1 3.1Å; D168-H172 WeakPolarHBondContact O-CB 3.3Å; D168-H172 PolarHBondContact O-N 2.75Å
169M64.9Low67Low19 Ų1982.9 Ų82.99%0.09445%0.447CS..Hα-helixtrans-62.3-45.5173.8-176.360.565.600112P154 C156 K161 E163 H165 S166 E167 H172 V173P154-M169 HydrophobicContact CB-CE 4.36Å; P154-M169 HydrophobicContact CG-CE 4.31Å; P154-M169 WeakPolarHBondContact O-CE 3.08Å; C156-M169 VanDerWaalsContact CA-SD 3.57Å; C156-M169 HydrophobicContact CB-CE 4.17Å; C156-M169 HydrophobicContact CB-SD 3.54Å; C156-M169 VanDerWaalsContact CB-SD 3.54Å; K161-M169 WeakPolarHBondContact O-CE 3.29Å; E163-M169 HydrophobicContact CB-CE 4.05Å; E163-M169 HydrophobicContact CG-CE 3.82Å; H165-M169 PolarHBondContact O-N 3.08Å; S166-M169 WeakPolarHBondContact O-CB 3.46Å; S166-M169 PolarHBondContact O-N 3.34Å; E167-M169 VanDerWaalsContact C-N 3.35Å; M169-H172 PolarHBondContact O-N 2.94Å; M169-V173 WeakPolarHBondContact O-CG2 3.14Å; M169-V173 PolarHBondContact O-N 3.35Å
170E68.9Low66.2Low112 Ų11285.7 Ų85.752%0.52346%0.456SS..Hα-helixtrans-68.7-36.9-178.7-165.3179.7171.300111.9S166 E167 K174S166-E170 PolarHBondContact O-N 3.41Å; S166-E170 VanDerWaalsContact O-N 3.15Å; E167-E170 PolarHBondContact O-N 2.91Å; E170-K174 HydrophobicContact CG-CD 4.28Å; E170-K174 WeakPolarHBondContact O-CB 3.26Å; E170-K174 VanDerWaalsContact O-CG 3.3Å; E170-K174 WeakPolarHBondContact O-CG 3.32Å; E170-K174 PolarHBondContact O-N 3.06Å; E170-K174 VanDerWaalsContact OE1-CE 3.23Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.59Å; E170-K174 PolarHBondContact OE1-NZ 2.73Å
171T70.9Confident65.6Low78 Ų7888.9 Ų88.948%0.47946%0.463SS..Hα-helixtrans-71.6-36.4172.449.40000112.6E167 D168 K174 T175E167-T171 PolarHBondContact O-N 3.48Å; E167-T171 VanDerWaalsContact O-N 3.16Å; E167-T171 PolarHBondContact O-OG1 3.5Å; E167-T171 VanDerWaalsContact O-OG1 3.06Å; D168-T171 WeakPolarHBondContact CA-OG1 3.25Å; D168-T171 PolarHBondContact O-OG1 3.39Å; D168-T171 VanDerWaalsContact O-OG1 3.1Å; T171-K174 PolarHBondContact O-N 2.82Å; T171-T175 WeakPolarHBondContact O-CB 3.2Å; T171-T175 WeakPolarHBondContact O-CG2 3.48Å; T171-T175 PolarHBondContact O-N 2.82Å; T171-T175 PolarHBondContact O-OG1 2.98Å
172H77.7Confident64.4Low18 Ų1890.6 Ų90.68%0.08348%0.477CS..Hα-helixtrans-57.9-48.6171.5163.655.8000111.5C156 C159 E163 D168 M169 T175 T176C156-H172 PolarHBondContact SG-NE2 2.88Å; C159-H172 PolarHBondContact SG-NE2 2.92Å; E163-H172 IonicContact OE1-CG 2.99Å; D168-H172 WeakPolarHBondContact O-CB 3.3Å; D168-H172 PolarHBondContact O-N 2.75Å; M169-H172 PolarHBondContact O-N 2.94Å; H172-T175 PolarHBondContact O-N 3.18Å; H172-T175 PolarHBondContact O-OG1 2.96Å; H172-T176 PolarHBondContact ND1-OG1 2.96Å; H172-T176 WeakPolarHBondContact O-CB 3.44Å; H172-T176 PolarHBondContact O-N 3.03Å; H172-T176 PolarHBondContact O-OG1 3.45Å
173V70.3Confident63.1Low27 Ų2793.3 Ų93.316%0.16449%0.491CS..Hα-helixtrans-61.8-50.5176.7173.40000111F158 M169 T175 H177 L181F158-V173 HydrophobicContact CD2-CG1 4.33Å; F158-V173 HydrophobicContact CD2-CG2 4.36Å; F158-V173 HydrophobicContact CE2-CG1 4.05Å; M169-V173 WeakPolarHBondContact O-CG2 3.14Å; M169-V173 PolarHBondContact O-N 3.35Å; V173-T175 PolarHBondContact O-N 3.16Å; V173-H177 WeakPolarHBondContact O-CA 3.22Å; V173-H177 WeakPolarHBondContact O-CB 3.41Å; V173-H177 PolarHBondContact O-N 3.18Å; V173-L181 HydrophobicContact CG1-CD1 4.44Å
174K71.8Confident62Low120 Ų12097.3 Ų97.352%0.52252%0.52SS..Hα-helixtrans-65.6-18.9-178.2-72.1174.7-174.9173.10114.8E170 T171 A178E170-K174 HydrophobicContact CG-CD 4.28Å; E170-K174 WeakPolarHBondContact O-CB 3.26Å; E170-K174 VanDerWaalsContact O-CG 3.3Å; E170-K174 WeakPolarHBondContact O-CG 3.32Å; E170-K174 PolarHBondContact O-N 3.06Å; E170-K174 VanDerWaalsContact OE1-CE 3.23Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.59Å; E170-K174 PolarHBondContact OE1-NZ 2.73Å; T171-K174 PolarHBondContact O-N 2.82Å; K174-A178 WeakPolarHBondContact O-CB 3.46Å
175T72.2Confident61.4Low105 Ų10597.6 Ų97.664%0.64453%0.526SS*.Hα-helixtrans-104.7-39.717954.70000113.3T171 H172 V173T171-T175 WeakPolarHBondContact O-CB 3.2Å; T171-T175 WeakPolarHBondContact O-CG2 3.48Å; T171-T175 PolarHBondContact O-N 2.82Å; T171-T175 PolarHBondContact O-OG1 2.98Å; H172-T175 PolarHBondContact O-N 3.18Å; H172-T175 PolarHBondContact O-OG1 2.96Å; V173-T175 PolarHBondContact O-N 3.16Å
176T67.3Low60.2Low87 Ų87100.6 Ų100.653%0.53454%0.54SS..Hα-helixtrans-88.4-29-174-43.90000111.9H172H172-T176 PolarHBondContact ND1-OG1 2.96Å; H172-T176 WeakPolarHBondContact O-CB 3.44Å; H172-T176 PolarHBondContact O-N 3.03Å; H172-T176 PolarHBondContact O-OG1 3.45Å
177H69.1Low59.1Low27 Ų27104.1 Ų104.113%0.12555%0.552CS.*SBendtrans-112.116.2178.6-60.4-73.1000112.9V173 N179 L180V173-H177 WeakPolarHBondContact O-CA 3.22Å; V173-H177 WeakPolarHBondContact O-CB 3.41Å; V173-H177 PolarHBondContact O-N 3.18Å; H177-N179 VanDerWaalsContact C-N 3.27Å; H177-N179 PolarHBondContact O-N 2.9Å; H177-L180 WeakPolarHBondContact O-CB 3.25Å; H177-L180 PolarHBondContact O-N 2.99Å
178A60.1Low58.1Low31 Ų31102 Ų10226%0.25655%0.554SS.*G310 helixtrans-49.8-43.9177.700000113.3K174 L180 L181 D182K174-A178 WeakPolarHBondContact O-CB 3.46Å; A178-L180 PolarHBondContact O-N 2.93Å; A178-L181 PolarHBondContact O-N 3.08Å; A178-D182 PolarHBondContact O-N 3.14Å; A178-D182 VanDerWaalsContact O-N 3.17Å
179N57.4Low57.1Low151 Ų151105.1 Ų105.181%0.80757%0.571SS**G310 helixtrans-71.33.6179.5-58.1-26.8000114.3H177H177-N179 VanDerWaalsContact C-N 3.27Å; H177-N179 PolarHBondContact O-N 2.9Å
180L54.9Low56.5Low127 Ų127112.3 Ų112.367%0.66560%0.604SS**G310 helixtrans-111.7-3.1169.3-61.2175.6000112.3H177 A178H177-L180 WeakPolarHBondContact O-CB 3.25Å; H177-L180 PolarHBondContact O-N 2.99Å; A178-L180 PolarHBondContact O-N 2.93Å
181L54.7Low55.9Low108 Ų108110.8 Ų110.857%0.56560%0.604SS**THydrogen-bonded Turntrans-107.9-28-179.9-65.1172.6000112.2V173 A178V173-L181 HydrophobicContact CG1-CD1 4.44Å; A178-L181 PolarHBondContact O-N 3.08Å
182D45.2Very low55.7Low136 Ų136112.2 Ų112.273%0.72761%0.608SS**  trans-111.9114.4169.9-76.2-55.4000111.2A178A178-D182 PolarHBondContact O-N 3.14Å; A178-D182 VanDerWaalsContact O-N 3.17Å
183I40.8Very low55.6Low150 Ų150115.4 Ų115.477%0.76962%0.62SS**  trans-107.4130.5163-65.3178.3000107.6
184P40.6Very low55.8Low121 Ų121119 Ų11979%0.78664%0.638SS**  trans-64.2143.9-174.8-23.434.2000114.5E186P184-E186 PolarHBondContact O-N 3.17Å
185L45.1Very low56.3Low174 Ų174113.5 Ų113.591%0.91162%0.615SS**  trans-71.3111.4167.1-78.8161000111.3
186E39.3Very low56.3Low190 Ų190113.9 Ų113.989%0.88862%0.619SS**  trans-144.3152139.2-73.9-155.3136.300109.9P184P184-E186 PolarHBondContact O-N 3.17Å
187D35.7Very low56.7Low159 Ų159115.2 Ų115.285%0.8562%0.621SS**SBendtrans53.395.4175.8-75.8-13.5000121.2
188C45.6Very low57.3Low114 Ų114117.2 Ų117.277%0.7764%0.637SS**  59.463.1117.2-160.50000119.7
189D46.6Very low58.1Low153 Ų153118.1 Ų118.182%0.81865%0.649SS**  -157.8135.8122-101-28.6000109.2P191D189-P191 WeakPolarHBondContact O-CD 3.26Å
190Q52.6Low59.3Low170 Ų170115.4 Ų115.479%0.79463%0.634SS**  trans-78.2121.5172.4-78.8-178.8-66.900108.5L192Q190-L192 PolarHBondContact O-N 3.46Å
191P56.9Low60.4Low80 Ų80114.1 Ų114.152%0.51963%0.627SS.*  trans-62114.5178.9-21.233.2000109.7D189 Y193D189-P191 WeakPolarHBondContact O-CD 3.26Å; P191-Y193 HydrophobicContact CB-CD2 4.43Å; P191-Y193 HydrophobicContact CB-CE1 4.44Å; P191-Y193 HydrophobicContact CB-CE2 3.78Å; P191-Y193 WeakPolarHBondContact O-CD2 3.36Å; P191-Y193 WeakPolarHBondContact O-CE2 3.34Å
192L66.6Low61.6Low109 Ų109109.2 Ų109.257%0.57160%0.602SS**  trans-85120.6171.5-71.7177.2000107.7Q190 I201 T203Q190-L192 PolarHBondContact O-N 3.46Å; L192-I201 HydrophobicContact CB-CG2 3.62Å; L192-I201 HydrophobicContact CD1-CG2 4.17Å; L192-I201 HydrophobicContact CD2-CG2 3.99Å; L192-I201 HydrophobicContact CG-CG2 4.13Å; L192-T203 HydrophobicContact CD2-CG2 4.45Å
193Y74.4Confident63Low85 Ų85107.3 Ų107.333%0.33360%0.595SS.*EExtended strand (participates in β ladder)trans-101.9101-171.3-68.1-85.4000109.9P191 C202 Y205P191-Y193 HydrophobicContact CB-CD2 4.43Å; P191-Y193 HydrophobicContact CB-CE1 4.44Å; P191-Y193 HydrophobicContact CB-CE2 3.78Å; P191-Y193 WeakPolarHBondContact O-CD2 3.36Å; P191-Y193 WeakPolarHBondContact O-CE2 3.34Å; Y193-C202 PolarHBondContact N-O 2.98Å; Y193-C202 WeakPolarHBondContact O-CB 3.42Å; Y193-C202 PolarHBondContact O-N 3.24Å; Y193-Y205 HydrophobicContact CE1-CD2 4.43Å
194D75.4Confident64.6Low103 Ų103103.7 Ų103.755%0.55158%0.577SS**EExtended strand (participates in β ladder)trans-73130.7179.8-63-29.1000111.7P196 I201D194-P196 WeakPolarHBondContact O-CD 3.47Å; D194-I201 WeakPolarHBondContact OD1-CG1 3.46Å
195C81.3Confident66.2Low3 Ų3103.8 Ų103.82%0.0256%0.563CS.*  trans-72.6119.3172.7-176.20000111.1M197 C198 G199 L200 L208C195-M197 PolarHBondContact O-N 2.95Å; C195-M197 VanDerWaalsContact O-N 3.12Å; C195-C198 PolarHBondContact O-N 2.83Å; C195-C198 VanDerWaalsContact SG-SG 3.66Å; C195-G199 WeakPolarHBondContact O-CA 3.45Å; C195-G199 PolarHBondContact O-N 3.25Å; C195-L200 HydrophobicContact CB-CB 4.35Å; C195-L200 WeakPolarHBondContact CB-O 3.43Å; C195-L200 PolarHBondContact N-O 3.14Å; C195-L208 HydrophobicContact CB-CD1 3.73Å
196P73.4Confident67.8Low114 Ų114101.4 Ų101.474%0.7455%0.547SS*.THydrogen-bonded Turntrans-69.5-12.1-176.629.3-36.2000113.8D194D194-P196 WeakPolarHBondContact O-CD 3.47Å
197M75.1Confident69.8Low115 Ų11596.3 Ų96.357%0.56753%0.525SS*.THydrogen-bonded Turntrans-89.8-29.5-179.1-60.1-60.7-69.500113.4C195C195-M197 PolarHBondContact O-N 2.95Å; C195-M197 VanDerWaalsContact O-N 3.12Å
198C80.9Confident71.9Confident68 Ų6889.9 Ų89.946%0.45949%0.491SS..THydrogen-bonded Turntrans-141.8-10.2-170.369.50000115.3C195 L200 H211 H215C195-C198 PolarHBondContact O-N 2.83Å; C195-C198 VanDerWaalsContact SG-SG 3.66Å; C198-L200 PolarHBondContact SG-N 3.34Å; C198-L200 VanDerWaalsContact SG-N 3.43Å; C198-H211 PolarHBondContact SG-NE2 3.43Å; C198-H215 PolarHBondContact SG-NE2 3.32Å; C198-H215 VanDerWaalsContact SG-NE2 3.38Å
199G78.4Confident73.5Confident51 Ų5188.4 Ų88.453%0.52647%0.472SS..  trans76.714.2-17700000115.3C195 I201C195-G199 WeakPolarHBondContact O-CA 3.45Å; C195-G199 PolarHBondContact O-N 3.25Å; G199-I201 PolarHBondContact O-N 3.21Å
200L81.8Confident75.1Confident94 Ų9487.6 Ų87.649%0.49246%0.463SS..  trans-70.7126.7173.8-173.767.4000110.7C195 C198 H211C195-L200 HydrophobicContact CB-CB 4.35Å; C195-L200 WeakPolarHBondContact CB-O 3.43Å; C195-L200 PolarHBondContact N-O 3.14Å; C198-L200 PolarHBondContact SG-N 3.34Å; C198-L200 VanDerWaalsContact SG-N 3.43Å; L200-H211 WeakPolarHBondContact CD2-NE2 3.04Å
201I78.9Confident76.6Confident99 Ų9981.1 Ų81.151%0.50843%0.433SS..EExtended strand (participates in β ladder)trans-86.7114.8-178.5-46.2-171.1000109.8L192 D194 G199L192-I201 HydrophobicContact CB-CG2 3.62Å; L192-I201 HydrophobicContact CD1-CG2 4.17Å; L192-I201 HydrophobicContact CD2-CG2 3.99Å; L192-I201 HydrophobicContact CG-CG2 4.13Å; D194-I201 WeakPolarHBondContact OD1-CG1 3.46Å; G199-I201 PolarHBondContact O-N 3.21Å
202C79.2Confident77.7Confident5 Ų578.9 Ų78.93%0.03442%0.418CS..EExtended strand (participates in β ladder)trans-101.5141.9-177.6-60.30000112Y193 I207 L208Y193-C202 PolarHBondContact N-O 2.98Å; Y193-C202 WeakPolarHBondContact O-CB 3.42Å; Y193-C202 PolarHBondContact O-N 3.24Å; C202-I207 HydrophobicContact CB-CG2 4.42Å; C202-L208 HydrophobicContact CB-CB 3.88Å
203T74.5Confident78.3Confident97 Ų9777 Ų7760%0.59541%0.408SS*.SBendtrans-85.2-3.9-176.151.70000114.7L192L192-T203 HydrophobicContact CD2-CG2 4.45Å
204N73.8Confident78.6Confident73 Ų7377.6 Ų77.639%0.3942%0.417SS..SBendtrans-156.9145.6177.9-170.8-63.2000109.5H206 I207 L208N204-H206 VanDerWaalsContact C-N 3.28Å; N204-H206 PolarHBondContact O-N 3.43Å; N204-H206 PolarHBondContact OD1-CD2 2.88Å; N204-H206 PolarHBondContact OD1-N 3.37Å; N204-I207 HydrophobicContact CB-CD1 4.2Å; N204-I207 HydrophobicContact CB-CG1 4.3Å; N204-I207 PolarHBondContact O-N 3.02Å; N204-I207 VanDerWaalsContact O-N 3.1Å; N204-L208 PolarHBondContact O-N 3.42Å
205Y75.9Confident78.8Confident123 Ų12374.4 Ų74.448%0.48240%0.399SS..Hα-helixtrans-52.4-40.8175.1175.4-99.8000113.4Y193 I207 L208 Q209Y193-Y205 HydrophobicContact CE1-CD2 4.43Å; Y205-I207 VanDerWaalsContact C-N 3.32Å; Y205-I207 PolarHBondContact O-N 2.95Å; Y205-L208 WeakPolarHBondContact O-CB 3.46Å; Y205-L208 PolarHBondContact O-N 2.71Å; Y205-Q209 WeakPolarHBondContact O-CB 3.4Å; Y205-Q209 PolarHBondContact O-N 2.74Å
206H78.4Confident78.4Confident124 Ų12478.7 Ų78.757%0.57442%0.421SS*.Hα-helixtrans-65.6-34.5179.3-64.4-61.4000112.9N204 Q209 E210N204-H206 VanDerWaalsContact C-N 3.28Å; N204-H206 PolarHBondContact O-N 3.43Å; N204-H206 PolarHBondContact OD1-CD2 2.88Å; N204-H206 PolarHBondContact OD1-N 3.37Å; H206-Q209 PolarHBondContact O-N 2.84Å; H206-E210 PolarHBondContact O-N 2.7Å
207I80.3Confident78.4Confident84 Ų8479.1 Ų79.143%0.43141%0.413SS..Hα-helixtrans-73.4-37.7176.1-61173.3000110.1C202 N204 Y205 Q209 H211C202-I207 HydrophobicContact CB-CG2 4.42Å; N204-I207 HydrophobicContact CB-CD1 4.2Å; N204-I207 HydrophobicContact CB-CG1 4.3Å; N204-I207 PolarHBondContact O-N 3.02Å; N204-I207 VanDerWaalsContact O-N 3.1Å; Y205-I207 VanDerWaalsContact C-N 3.32Å; Y205-I207 PolarHBondContact O-N 2.95Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; I207-H211 WeakPolarHBondContact O-CB 3.47Å; I207-H211 PolarHBondContact O-N 2.93Å
208L80Confident77.9Confident24 Ų2479.5 Ų79.513%0.12641%0.413CS..Hα-helixtrans-60.1-43.4169.2172.562.6000110.6C195 C202 N204 Y205 H211 V212C195-L208 HydrophobicContact CB-CD1 3.73Å; C202-L208 HydrophobicContact CB-CB 3.88Å; N204-L208 PolarHBondContact O-N 3.42Å; Y205-L208 WeakPolarHBondContact O-CB 3.46Å; Y205-L208 PolarHBondContact O-N 2.71Å; L208-H211 PolarHBondContact O-N 3.43Å; L208-V212 HydrophobicContact CD1-CG2 3.62Å; L208-V212 HydrophobicContact CG-CG2 4.17Å; L208-V212 WeakPolarHBondContact O-CB 3.37Å; L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 3.22Å
209Q79.9Confident76.9Confident82 Ų8279.6 Ų79.638%0.38341%0.409SS..Hα-helixtrans-62.8-54.7-178.9-171.7-175.3-22.100111Y205 H206 I207 H211 V212 D213Y205-Q209 WeakPolarHBondContact O-CB 3.4Å; Y205-Q209 PolarHBondContact O-N 2.74Å; H206-Q209 PolarHBondContact O-N 2.84Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; Q209-H211 PolarHBondContact O-N 3.5Å; Q209-V212 PolarHBondContact O-N 3.48Å; Q209-V212 VanDerWaalsContact O-N 3.13Å; Q209-D213 WeakPolarHBondContact O-CB 3.31Å; Q209-D213 VanDerWaalsContact O-CG 3.28Å; Q209-D213 PolarHBondContact O-N 2.85Å
210E80.7Confident75.8Confident136 Ų13680.5 Ų80.564%0.63641%0.407SS*.Hα-helixtrans-56.4-36.2176-71.8-178161.400112.2H206 L214H206-E210 PolarHBondContact O-N 2.7Å; E210-L214 WeakPolarHBondContact O-CB 3.39Å; E210-L214 VanDerWaalsContact O-CG 3.28Å; E210-L214 WeakPolarHBondContact O-CG 3.37Å; E210-L214 PolarHBondContact O-N 3.18Å
211H82.8Confident74.4Confident34 Ų3484.4 Ų84.416%0.15742%0.421CS..Hα-helixtrans-72.7-38.1177.5177.139.2000113.7C198 L200 I207 L208 Q209 H215C198-H211 PolarHBondContact SG-NE2 3.43Å; L200-H211 WeakPolarHBondContact CD2-NE2 3.04Å; I207-H211 WeakPolarHBondContact O-CB 3.47Å; I207-H211 PolarHBondContact O-N 2.93Å; L208-H211 PolarHBondContact O-N 3.43Å; Q209-H211 PolarHBondContact O-N 3.5Å; H211-H215 AromaticContact CE1-CD2 3.55Å; H211-H215 AromaticContact CE1-NE2 3.23Å; H211-H215 PolarHBondContact CE1-NE2 3.02Å; H211-H215 AromaticContact NE2-CD2 3.91Å; H211-H215 AromaticContact NE2-NE2 3.68Å; H211-H215 PolarHBondContact O-N 2.81Å; H211-H215 VanDerWaalsContact O-N 3.07Å
212V79.3Confident73Confident34 Ų3482.8 Ų82.821%0.20642%0.417CS..Hα-helixtrans-69.5-41173.4167.30000110.4L208 Q209 L214 H215 L216L208-V212 HydrophobicContact CD1-CG2 3.62Å; L208-V212 HydrophobicContact CG-CG2 4.17Å; L208-V212 WeakPolarHBondContact O-CB 3.37Å; L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 3.22Å; Q209-V212 PolarHBondContact O-N 3.48Å; Q209-V212 VanDerWaalsContact O-N 3.13Å; V212-L214 VanDerWaalsContact C-N 3.33Å; V212-L214 PolarHBondContact O-N 2.89Å; V212-H215 CarbonylContact O-C 3.53Å; V212-H215 WeakPolarHBondContact O-CA 3.49Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.97Å; V212-H215 VanDerWaalsContact O-N 3.08Å; V212-L216 HydrophobicContact CG1-CD1 4.17Å; V212-L216 WeakPolarHBondContact O-CG 3.5Å; V212-L216 PolarHBondContact O-N 2.93Å
213D80.8Confident71.5Confident68 Ų6888.4 Ų88.436%0.36444%0.443SS..Hα-helixtrans-62.3-41.2174.9-69.9-22.1000110.3Q209 H215 L216 E217Q209-D213 WeakPolarHBondContact O-CB 3.31Å; Q209-D213 VanDerWaalsContact O-CG 3.28Å; Q209-D213 PolarHBondContact O-N 2.85Å; D213-H215 VanDerWaalsContact C-N 3.35Å; D213-H215 PolarHBondContact O-N 3.22Å; D213-L216 CarbonylContact O-C 3.53Å; D213-L216 WeakPolarHBondContact O-CA 3.29Å; D213-L216 WeakPolarHBondContact O-CB 3.3Å; D213-L216 PolarHBondContact O-N 3.26Å; D213-E217 WeakPolarHBondContact O-CG 3.31Å; D213-E217 PolarHBondContact O-N 2.68Å
214L80.6Confident70.3Confident98 Ų9885.8 Ų85.851%0.51344%0.436SS..Hα-helixtrans-59.7-39.4169.7-79.6168.7000113.1E210 V212 L216 E217 E218E210-L214 WeakPolarHBondContact O-CB 3.39Å; E210-L214 VanDerWaalsContact O-CG 3.28Å; E210-L214 WeakPolarHBondContact O-CG 3.37Å; E210-L214 PolarHBondContact O-N 3.18Å; V212-L214 VanDerWaalsContact C-N 3.33Å; V212-L214 PolarHBondContact O-N 2.89Å; L214-L216 VanDerWaalsContact C-N 3.32Å; L214-E217 PolarHBondContact O-N 2.96Å; L214-E218 WeakPolarHBondContact O-CB 3.48Å; L214-E218 WeakPolarHBondContact O-CG 3.27Å; L214-E218 PolarHBondContact O-N 2.92Å
215H79.6Confident69Low37 Ų3789.4 Ų89.417%0.17145%0.452CS..Hα-helixtrans-68.7-28.7172.5-84-38.4000113C198 H211 V212 D213 E218 N219C198-H215 PolarHBondContact SG-NE2 3.32Å; C198-H215 VanDerWaalsContact SG-NE2 3.38Å; H211-H215 AromaticContact CE1-CD2 3.55Å; H211-H215 AromaticContact CE1-NE2 3.23Å; H211-H215 PolarHBondContact CE1-NE2 3.02Å; H211-H215 AromaticContact NE2-CD2 3.91Å; H211-H215 AromaticContact NE2-NE2 3.68Å; H211-H215 PolarHBondContact O-N 2.81Å; H211-H215 VanDerWaalsContact O-N 3.07Å; V212-H215 CarbonylContact O-C 3.53Å; V212-H215 WeakPolarHBondContact O-CA 3.49Å; V212-H215 WeakPolarHBondContact O-CB 3.38Å; V212-H215 PolarHBondContact O-N 2.97Å; V212-H215 VanDerWaalsContact O-N 3.08Å; D213-H215 VanDerWaalsContact C-N 3.35Å; D213-H215 PolarHBondContact O-N 3.22Å; H215-E218 IonicContact ND1-OE2 3.52Å; H215-N219 VanDerWaalsContact O-CB 3.27Å; H215-N219 WeakPolarHBondContact O-CB 3.38Å; H215-N219 PolarHBondContact O-N 2.52Å; H215-N219 PolarHBondContact O-ND2 3.4Å
216L73.1Confident67.5Low92 Ų9287.7 Ų87.748%0.48245%0.451SS..Hα-helixtrans-74.9-34.5172.7-67.1170000111.5V212 D213 L214 S220V212-L216 HydrophobicContact CG1-CD1 4.17Å; V212-L216 WeakPolarHBondContact O-CG 3.5Å; V212-L216 PolarHBondContact O-N 2.93Å; D213-L216 CarbonylContact O-C 3.53Å; D213-L216 WeakPolarHBondContact O-CA 3.29Å; D213-L216 WeakPolarHBondContact O-CB 3.3Å; D213-L216 PolarHBondContact O-N 3.26Å; L214-L216 VanDerWaalsContact C-N 3.32Å; L216-S220 WeakPolarHBondContact O-CB 3.45Å; L216-S220 PolarHBondContact O-N 3.17Å; L216-S220 PolarHBondContact O-OG 3.23Å
217E72.1Confident66.1Low124 Ų12491.1 Ų91.158%0.57946%0.459SS*.Hα-helixtrans-72.7-41.5173.6-71.9-168.8164.800112.6D213 L214 S220 F221D213-E217 WeakPolarHBondContact O-CG 3.31Å; D213-E217 PolarHBondContact O-N 2.68Å; L214-E217 PolarHBondContact O-N 2.96Å; E217-S220 CarbonylContact O-C 3.53Å; E217-S220 WeakPolarHBondContact O-CA 3.22Å; E217-S220 WeakPolarHBondContact O-CB 3.46Å; E217-S220 PolarHBondContact O-N 3.43Å; E217-F221 PolarHBondContact O-N 2.9Å
218E65.4Low64.6Low122 Ų12292.9 Ų92.957%0.5747%0.473SS*.Hα-helixtrans-61.5-44.2170.3-78.7-167.4137.100111L214 H215 S220 F221 C222L214-E218 WeakPolarHBondContact O-CB 3.48Å; L214-E218 WeakPolarHBondContact O-CG 3.27Å; L214-E218 PolarHBondContact O-N 2.92Å; H215-E218 IonicContact ND1-OE2 3.52Å; E218-S220 PolarHBondContact O-N 3.18Å; E218-F221 PolarHBondContact O-N 2.79Å; E218-F221 VanDerWaalsContact O-N 3.13Å; E218-C222 PolarHBondContact O-N 3.12Å; E218-C222 PolarHBondContact O-SG 2.81Å
219N58.5Low63.1Low71 Ų7198.1 Ų98.138%0.3850%0.497SS..Hα-helixtrans-63.7-28.8172.2-81.4-57.5000112.5H215 C222 Q223H215-N219 VanDerWaalsContact O-CB 3.27Å; H215-N219 WeakPolarHBondContact O-CB 3.38Å; H215-N219 PolarHBondContact O-N 2.52Å; H215-N219 PolarHBondContact O-ND2 3.4Å; N219-C222 PolarHBondContact O-N 3.33Å; N219-Q223 WeakPolarHBondContact O-CB 3.33Å; N219-Q223 VanDerWaalsContact O-CG 3.24Å; N219-Q223 WeakPolarHBondContact O-CG 3.17Å; N219-Q223 PolarHBondContact O-N 2.95Å
220S56.3Low61.7Low69 Ų6998.2 Ų98.248%0.48351%0.506SS..Hα-helixtrans-72.7-32.4173-61.40000112.5L216 E217 E218 G224L216-S220 WeakPolarHBondContact O-CB 3.45Å; L216-S220 PolarHBondContact O-N 3.17Å; L216-S220 PolarHBondContact O-OG 3.23Å; E217-S220 CarbonylContact O-C 3.53Å; E217-S220 WeakPolarHBondContact O-CA 3.22Å; E217-S220 WeakPolarHBondContact O-CB 3.46Å; E217-S220 PolarHBondContact O-N 3.43Å; E218-S220 PolarHBondContact O-N 3.18Å; S220-G224 PolarHBondContact O-N 3.21Å; S220-G224 VanDerWaalsContact O-N 3.08Å
221F51.5Low60.7Low176 Ų17695.1 Ų95.177%0.77250%0.499SS*.Hα-helixtrans-71.2-39.5169.7-99.2-88.4000112.3E217 E218 G224 M225E217-F221 PolarHBondContact O-N 2.9Å; E218-F221 PolarHBondContact O-N 2.79Å; E218-F221 VanDerWaalsContact O-N 3.13Å; F221-G224 VanDerWaalsContact O-CA 3.27Å; F221-G224 WeakPolarHBondContact O-CA 3.44Å; F221-G224 PolarHBondContact O-N 3.13Å; F221-M225 PolarHBondContact O-N 3.27Å
222C49.9Very low60.2Low65 Ų6595 Ų9544%0.43951%0.508SS..Hα-helixtrans-63.5-39170.3-69.90000111.7E218 N219 G224 M225 D226E218-C222 PolarHBondContact O-N 3.12Å; E218-C222 PolarHBondContact O-SG 2.81Å; N219-C222 PolarHBondContact O-N 3.33Å; C222-G224 PolarHBondContact O-N 3.04Å; C222-M225 CarbonylContact O-C 3.55Å; C222-M225 WeakPolarHBondContact O-CA 3.37Å; C222-M225 WeakPolarHBondContact O-CB 3.4Å; C222-M225 PolarHBondContact O-N 3.46Å; C222-D226 PolarHBondContact O-N 3.43Å
223Q48.3Very low60.3Low123 Ų12398.5 Ų98.558%0.57553%0.525SS*.Hα-helixtrans-60.1-27.9168.2-77.1173.333.800112.5N219 M225 D226 R227N219-Q223 WeakPolarHBondContact O-CB 3.33Å; N219-Q223 VanDerWaalsContact O-CG 3.24Å; N219-Q223 WeakPolarHBondContact O-CG 3.17Å; N219-Q223 PolarHBondContact O-N 2.95Å; Q223-M225 PolarHBondContact O-N 3Å; Q223-D226 PolarHBondContact O-N 3.5Å; Q223-R227 WeakPolarHBondContact O-CG 3.48Å; Q223-R227 PolarHBondContact O-N 3.3Å
224G48.5Very low60.3Low42 Ų42100 Ų10043%0.43353%0.533SS..Hα-helixtrans-60-30.116800000113.7S220 F221 C222S220-G224 PolarHBondContact O-N 3.21Å; S220-G224 VanDerWaalsContact O-N 3.08Å; F221-G224 VanDerWaalsContact O-CA 3.27Å; F221-G224 WeakPolarHBondContact O-CA 3.44Å; F221-G224 PolarHBondContact O-N 3.13Å; C222-G224 PolarHBondContact O-N 3.04Å
225M47.4Very low60.5Low150 Ų150100.8 Ų100.874%0.73953%0.534SS*.Hα-helixtrans-89.3-40.4173.8-63-179.762.700112.1F221 C222 Q223 R227 V228F221-M225 PolarHBondContact O-N 3.27Å; C222-M225 CarbonylContact O-C 3.55Å; C222-M225 WeakPolarHBondContact O-CA 3.37Å; C222-M225 WeakPolarHBondContact O-CB 3.4Å; C222-M225 PolarHBondContact O-N 3.46Å; Q223-M225 PolarHBondContact O-N 3Å; M225-R227 PolarHBondContact O-N 2.95Å; M225-R227 VanDerWaalsContact O-N 3.1Å; M225-V228 PolarHBondContact O-N 3.01Å; M225-V228 VanDerWaalsContact O-N 3.08Å
226D44.9Very low61Low86 Ų86103.1 Ų103.146%0.4655%0.547SS..Hα-helixtrans-65.6-8.2174.4-85.9-39.2000114C222 Q223 V228 Q229 C230C222-D226 PolarHBondContact O-N 3.43Å; Q223-D226 PolarHBondContact O-N 3.5Å; D226-V228 PolarHBondContact O-N 3.43Å; D226-V228 VanDerWaalsContact O-N 3.12Å; D226-Q229 PolarHBondContact O-N 3.26Å; D226-C230 WeakPolarHBondContact O-CB 3.27Å; D226-C230 PolarHBondContact O-N 3.41Å
227R47.7Very low61.7Low196 Ų196101.2 Ų101.274%0.7455%0.545SS*.Hα-helixtrans-50.7-30.4162.9-82.6176.1-178.1-155.6-0.1112.7Q223 M225 S231Q223-R227 WeakPolarHBondContact O-CG 3.48Å; Q223-R227 PolarHBondContact O-N 3.3Å; M225-R227 PolarHBondContact O-N 2.95Å; M225-R227 VanDerWaalsContact O-N 3.1Å; R227-S231 WeakPolarHBondContact O-CB 3.24Å; R227-S231 PolarHBondContact O-N 2.68Å; R227-S231 VanDerWaalsContact O-N 3.11Å
228V50Low62.5Low121 Ų121100.3 Ų100.373%0.73354%0.54SS*.Hα-helixtrans-70-42.2173.9-177.70000111.2M225 D226 G232M225-V228 PolarHBondContact O-N 3.01Å; M225-V228 VanDerWaalsContact O-N 3.08Å; D226-V228 PolarHBondContact O-N 3.43Å; D226-V228 VanDerWaalsContact O-N 3.12Å; V228-G232 PolarHBondContact O-N 2.86Å
229Q46.7Very low63.9Low134 Ų13499.5 Ų99.563%0.62654%0.537SS*.Hα-helixtrans-73.9-45.3-177.4-163.2125.4-37.600111.7D226 S231 G232 D233D226-Q229 PolarHBondContact O-N 3.26Å; Q229-S231 VanDerWaalsContact C-N 3.28Å; Q229-S231 PolarHBondContact O-N 2.83Å; Q229-G232 WeakPolarHBondContact O-CA 3.29Å; Q229-G232 PolarHBondContact O-N 3.35Å; Q229-D233 PolarHBondContact O-N 3.36Å
230C50.8Low65.6Low85 Ų85100.7 Ų100.757%0.57454%0.542SS*.Hα-helixtrans-63.1-33173.7-172.40000112.2D226 G232 L234D226-C230 WeakPolarHBondContact O-CB 3.27Å; D226-C230 PolarHBondContact O-N 3.41Å; C230-G232 VanDerWaalsContact C-N 3.29Å; C230-G232 PolarHBondContact O-N 2.94Å; C230-L234 VanDerWaalsContact O-CB 3.22Å; C230-L234 WeakPolarHBondContact O-CB 3.32Å; C230-L234 PolarHBondContact O-N 3.11Å
231S59.8Low67.4Low70 Ų70102 Ų10249%0.4954%0.541SS..Hα-helixtrans-64.4-33.3169-175.60000112.4R227 Q229 Q235R227-S231 WeakPolarHBondContact O-CB 3.24Å; R227-S231 PolarHBondContact O-N 2.68Å; R227-S231 VanDerWaalsContact O-N 3.11Å; Q229-S231 VanDerWaalsContact C-N 3.28Å; Q229-S231 PolarHBondContact O-N 2.83Å; S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 PolarHBondContact O-N 3.49Å
232G72.6Confident69.4Low33 Ų3399.6 Ų99.634%0.3453%0.532SS..Hα-helixtrans-67.4-50.2175.100000112.2V228 Q229 C230 Q235 L236V228-G232 PolarHBondContact O-N 2.86Å; Q229-G232 WeakPolarHBondContact O-CA 3.29Å; Q229-G232 PolarHBondContact O-N 3.35Å; C230-G232 VanDerWaalsContact C-N 3.29Å; C230-G232 PolarHBondContact O-N 2.94Å; G232-Q235 PolarHBondContact O-N 3.16Å; G232-L236 WeakPolarHBondContact O-CB 3.08Å; G232-L236 PolarHBondContact O-N 3.13Å
233D80.6Confident71.6Confident106 Ų10699.1 Ų99.157%0.56752%0.523SS*.Hα-helixtrans-66.2-39.2179.3-71.2-27.5000112.3Q229 L236 A237Q229-D233 PolarHBondContact O-N 3.36Å; D233-L236 PolarHBondContact O-N 3.39Å; D233-A237 WeakPolarHBondContact O-CB 3.43Å; D233-A237 PolarHBondContact O-N 3.4Å
234L80.8Confident73.8Confident100 Ų10099.1 Ų99.152%0.52452%0.523SS..Hα-helixtrans-65.3-39.8173.5-178.860.5000111.7C230 A237 H238C230-L234 VanDerWaalsContact O-CB 3.22Å; C230-L234 WeakPolarHBondContact O-CB 3.32Å; C230-L234 PolarHBondContact O-N 3.11Å; L234-A237 PolarHBondContact O-N 3.35Å; L234-H238 WeakPolarHBondContact O-CB 3.5Å; L234-H238 PolarHBondContact O-CD2 2.73Å; L234-H238 PolarHBondContact O-N 2.89Å
235Q85.8Confident76Confident115 Ų11598.7 Ų98.754%0.53751%0.511SS..Hα-helixtrans-66.5-39.2175-173.9174.626.100111.7S231 G232 H238 Q239S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 PolarHBondContact O-N 3.49Å; G232-Q235 PolarHBondContact O-N 3.16Å; Q235-H238 PolarHBondContact O-N 2.94Å; Q235-Q239 WeakPolarHBondContact O-CB 3.25Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.28Å; Q235-Q239 PolarHBondContact O-N 3.21Å
236L89.9Confident78.3Confident86 Ų8698.9 Ų98.945%0.4550%0.503SS..Hα-helixtrans-65.2-45174.6178.559.5000111.5G232 D233 H238 Q239 L240G232-L236 WeakPolarHBondContact O-CB 3.08Å; G232-L236 PolarHBondContact O-N 3.13Å; D233-L236 PolarHBondContact O-N 3.39Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.15Å; L236-Q239 PolarHBondContact O-N 2.84Å; L236-Q239 VanDerWaalsContact O-N 3.13Å; L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CG-CD1 4.13Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.01Å
237A87.8Confident80.7Confident52 Ų52100.9 Ų100.943%0.4351%0.508SS..Hα-helixtrans-59.4-43.5174.700000111.6D233 L234 L240 Q241D233-A237 WeakPolarHBondContact O-CB 3.43Å; D233-A237 PolarHBondContact O-N 3.4Å; L234-A237 PolarHBondContact O-N 3.35Å; A237-L240 PolarHBondContact O-N 3.34Å; A237-Q241 WeakPolarHBondContact O-CB 3.42Å; A237-Q241 PolarHBondContact O-N 3.25Å
238H90Very high83Confident105 Ų10597.2 Ų97.249%0.48649%0.494SS..Hα-helixtrans-64.4-37.3173-78.8-52.1000113.2L234 Q235 L236 Q242L234-H238 WeakPolarHBondContact O-CB 3.5Å; L234-H238 PolarHBondContact O-CD2 2.73Å; L234-H238 PolarHBondContact O-N 2.89Å; Q235-H238 PolarHBondContact O-N 2.94Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.15Å; H238-Q242 VanDerWaalsContact O-CB 3.31Å; H238-Q242 WeakPolarHBondContact O-CB 3.47Å; H238-Q242 WeakPolarHBondContact O-CG 3.39Å; H238-Q242 PolarHBondContact O-N 2.8Å
239Q93.6Very high85.1Confident105 Ų10598 Ų9849%0.49148%0.484SS..Hα-helixtrans-67.3-42.6175.5-76173.512.200112.1Q235 L236 Q242 E243Q235-Q239 WeakPolarHBondContact O-CB 3.25Å; Q235-Q239 VanDerWaalsContact O-CG 3.29Å; Q235-Q239 WeakPolarHBondContact O-CG 3.28Å; Q235-Q239 PolarHBondContact O-N 3.21Å; L236-Q239 PolarHBondContact O-N 2.84Å; L236-Q239 VanDerWaalsContact O-N 3.13Å; Q239-Q242 PolarHBondContact O-N 3.44Å; Q239-E243 WeakPolarHBondContact O-CB 3.49Å; Q239-E243 PolarHBondContact O-N 2.8Å
240L94.3Very high87.5Confident95 Ų9595.6 Ų95.650%0.49748%0.482SS..Hα-helixtrans-63.1-48.5175.7-69.8171.3000111L236 A237 Q242 E243 E244L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.21Å; L236-L240 HydrophobicContact CG-CD1 4.13Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.01Å; A237-L240 PolarHBondContact O-N 3.34Å; L240-Q242 PolarHBondContact O-N 3.49Å; L240-E243 PolarHBondContact O-N 2.95Å; L240-E243 VanDerWaalsContact O-N 3.15Å; L240-E244 WeakPolarHBondContact O-CG 3.49Å; L240-E244 PolarHBondContact O-N 2.9Å
241Q93.8Very high89.6Confident97 Ų9795 Ų9545%0.45347%0.471SS..Hα-helixtrans-57.5-45.9174.7-178.663.255.900111.9A237 E243 E244 D245A237-Q241 WeakPolarHBondContact O-CB 3.42Å; A237-Q241 PolarHBondContact O-N 3.25Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.89Å; Q241-E244 PolarHBondContact O-N 2.8Å; Q241-D245 VanDerWaalsContact NE2-CG 3.35Å; Q241-D245 PolarHBondContact NE2-OD2 3.2Å; Q241-D245 WeakPolarHBondContact O-CB 3.37Å; Q241-D245 PolarHBondContact O-N 2.81Å
242Q94.8Very high91.3Very high126 Ų12695.9 Ų95.959%0.58947%0.467SS*.Hα-helixtrans-62.8-37.6176.8-76.6172.934.700112.4H238 Q239 L240 R246H238-Q242 VanDerWaalsContact O-CB 3.31Å; H238-Q242 WeakPolarHBondContact O-CB 3.47Å; H238-Q242 WeakPolarHBondContact O-CG 3.39Å; H238-Q242 PolarHBondContact O-N 2.8Å; Q239-Q242 PolarHBondContact O-N 3.44Å; L240-Q242 PolarHBondContact O-N 3.49Å; Q242-R246 WeakPolarHBondContact O-CB 3.4Å; Q242-R246 PolarHBondContact O-N 3.19Å
243E94.9Very high92.4Very high55 Ų5596.8 Ų96.826%0.25747%0.468SS..Hα-helixtrans-72.8-37.6178.3-179.160.3-171.600112.4Q239 L240 Q241 R246 K247Q239-E243 WeakPolarHBondContact O-CB 3.49Å; Q239-E243 PolarHBondContact O-N 2.8Å; L240-E243 PolarHBondContact O-N 2.95Å; L240-E243 VanDerWaalsContact O-N 3.15Å; Q241-E243 VanDerWaalsContact C-N 3.32Å; Q241-E243 PolarHBondContact O-N 2.89Å; E243-R246 PolarHBondContact O-N 3.14Å; E243-R246 IonicContact OE1-CZ 3.92Å; E243-R246 IonicContact OE1-NE 3.33Å; E243-R246 IonicContact OE1-NH2 3.36Å; E243-R246 PolarHBondContact OE1-NH2 2.98Å; E243-R246 IonicContact OE2-CZ 3.47Å; E243-R246 IonicContact OE2-NE 2.77Å; E243-R246 PolarHBondContact OE2-NE 3.42Å; E243-R246 IonicContact OE2-NH2 3.52Å; E243-R246 PolarHBondContact OE2-NH2 3.13Å; E243-K247 HydrophobicContact CG-CD 4.28Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 VanDerWaalsContact O-CG 3.3Å; E243-K247 WeakPolarHBondContact O-CG 3.33Å; E243-K247 PolarHBondContact O-N 2.92Å; E243-K247 WeakPolarHBondContact OE1-CE 3.24Å; E243-K247 IonicContact OE1-NZ 2.84Å; E243-K247 PolarHBondContact OE1-NZ 2.79Å
244E94.4Very high93.2Very high122 Ų12297.4 Ų97.457%0.5746%0.463SS*.Hα-helixtrans-66.9-46.3172.6-73.5-176.7-172.300111.5L240 Q241 R246 K247 R248L240-E244 WeakPolarHBondContact O-CG 3.49Å; L240-E244 PolarHBondContact O-N 2.9Å; Q241-E244 PolarHBondContact O-N 2.8Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 2.83Å; E244-K247 PolarHBondContact O-N 2.78Å; E244-R248 WeakPolarHBondContact O-CB 3.29Å; E244-R248 PolarHBondContact O-N 2.92Å
245D95.5Very high93.9Very high33 Ų3397.5 Ų97.518%0.17646%0.46CS..Hα-helixtrans-63.2-33.2172.7-75.6-46.5000111.9Q241 R248 R249Q241-D245 VanDerWaalsContact NE2-CG 3.35Å; Q241-D245 PolarHBondContact NE2-OD2 3.2Å; Q241-D245 WeakPolarHBondContact O-CB 3.37Å; Q241-D245 PolarHBondContact O-N 2.81Å; D245-R248 IonicContact OD1-CZ 2.81Å; D245-R248 IonicContact OD1-NH1 3.2Å; D245-R248 PolarHBondContact OD1-NH1 2.76Å; D245-R248 IonicContact OD1-NH2 3.01Å; D245-R248 PolarHBondContact OD1-NH2 2.85Å; D245-R249 VanDerWaalsContact CB-NH2 3.28Å; D245-R249 WeakPolarHBondContact O-CB 3.35Å; D245-R249 VanDerWaalsContact O-CG 3.3Å; D245-R249 WeakPolarHBondContact O-CG 3.42Å; D245-R249 PolarHBondContact O-N 3.49Å; D245-R249 PolarHBondContact O-NE 2.99Å
246R95.8Very high94.3Very high154 Ų15498.3 Ų98.358%0.58146%0.464SS*.Hα-helixtrans-67.8-45.5174.3-173.8173.274.9122.63.2111.3Q242 E243 E244 S250Q242-R246 WeakPolarHBondContact O-CB 3.4Å; Q242-R246 PolarHBondContact O-N 3.19Å; E243-R246 PolarHBondContact O-N 3.14Å; E243-R246 IonicContact OE1-CZ 3.92Å; E243-R246 IonicContact OE1-NE 3.33Å; E243-R246 IonicContact OE1-NH2 3.36Å; E243-R246 PolarHBondContact OE1-NH2 2.98Å; E243-R246 IonicContact OE2-CZ 3.47Å; E243-R246 IonicContact OE2-NE 2.77Å; E243-R246 PolarHBondContact OE2-NE 3.42Å; E243-R246 IonicContact OE2-NH2 3.52Å; E243-R246 PolarHBondContact OE2-NH2 3.13Å; E244-R246 VanDerWaalsContact C-N 3.27Å; E244-R246 PolarHBondContact O-N 2.83Å; R246-S250 VanDerWaalsContact O-CB 3.31Å; R246-S250 WeakPolarHBondContact O-CB 3.47Å; R246-S250 PolarHBondContact O-N 2.89Å
247K95.5Very high94.5Very high128 Ų12898.3 Ų98.356%0.55746%0.464SS*.Hα-helixtrans-62.1-47.4174.9-76.5164.5178.5156.30111.5E243 E244 S250 E251E243-K247 HydrophobicContact CG-CD 4.28Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 VanDerWaalsContact O-CG 3.3Å; E243-K247 WeakPolarHBondContact O-CG 3.33Å; E243-K247 PolarHBondContact O-N 2.92Å; E243-K247 WeakPolarHBondContact OE1-CE 3.24Å; E243-K247 IonicContact OE1-NZ 2.84Å; E243-K247 PolarHBondContact OE1-NZ 2.79Å; E244-K247 PolarHBondContact O-N 2.78Å; K247-S250 PolarHBondContact O-N 3.22Å; K247-E251 PolarHBondContact O-N 3.03Å
248R95Very high94.9Very high120 Ų12099.3 Ų99.345%0.45346%0.46SS..Hα-helixtrans-60-51.2178.7-162.8-173.561.7-104.7-6.7111E244 D245 S250 E251 E252E244-R248 WeakPolarHBondContact O-CB 3.29Å; E244-R248 PolarHBondContact O-N 2.92Å; D245-R248 IonicContact OD1-CZ 2.81Å; D245-R248 IonicContact OD1-NH1 3.2Å; D245-R248 PolarHBondContact OD1-NH1 2.76Å; D245-R248 IonicContact OD1-NH2 3.01Å; D245-R248 PolarHBondContact OD1-NH2 2.85Å; R248-S250 VanDerWaalsContact C-N 3.3Å; R248-S250 PolarHBondContact O-N 3.37Å; R248-E251 PolarHBondContact O-N 2.8Å; R248-E251 VanDerWaalsContact O-N 3.1Å; R248-E252 VanDerWaalsContact CD-OE1 3.29Å; R248-E252 WeakPolarHBondContact CD-OE1 3.05Å; R248-E252 HydrophobicContact CG-CG 4.28Å; R248-E252 VanDerWaalsContact CG-OE1 3.32Å; R248-E252 WeakPolarHBondContact CG-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.71Å; R248-E252 PolarHBondContact NE-OE1 2.75Å; R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 VanDerWaalsContact O-CG 3.26Å; R248-E252 WeakPolarHBondContact O-CG 3.25Å; R248-E252 PolarHBondContact O-N 2.97Å
249R95.4Very high95.1Very high137 Ų137100.4 Ų100.452%0.51747%0.465SS..Hα-helixtrans-61.3-34.8176.5-73.1173.7-66.1-152.21.8113.7D245 E251 E252 S253D245-R249 VanDerWaalsContact CB-NH2 3.28Å; D245-R249 WeakPolarHBondContact O-CB 3.35Å; D245-R249 VanDerWaalsContact O-CG 3.3Å; D245-R249 WeakPolarHBondContact O-CG 3.42Å; D245-R249 PolarHBondContact O-N 3.49Å; D245-R249 PolarHBondContact O-NE 2.99Å; R249-E251 VanDerWaalsContact C-N 3.35Å; R249-E252 VanDerWaalsContact CA-OE2 3.29Å; R249-E252 WeakPolarHBondContact CA-OE2 3.43Å; R249-S253 WeakPolarHBondContact O-CB 3.34Å; R249-S253 PolarHBondContact O-N 3.33Å
250S95.8Very high95.1Very high83 Ų83101 Ų10158%0.5847%0.466SS*.Hα-helixtrans-69.4-32.5175.8-1700000112.7R246 K247 R248 R254R246-S250 VanDerWaalsContact O-CB 3.31Å; R246-S250 WeakPolarHBondContact O-CB 3.47Å; R246-S250 PolarHBondContact O-N 2.89Å; K247-S250 PolarHBondContact O-N 3.22Å; R248-S250 VanDerWaalsContact C-N 3.3Å; R248-S250 PolarHBondContact O-N 3.37Å; S250-R254 WeakPolarHBondContact O-CB 3.4Å; S250-R254 PolarHBondContact O-N 2.86Å; S250-R254 VanDerWaalsContact O-N 3.14Å
251E95.7Very high95Very high72 Ų72100.1 Ų100.134%0.33646%0.459SS..Hα-helixtrans-80.7-42.3176.317758.6-167.200111.5K247 R248 R249 S253 R254 Q255K247-E251 PolarHBondContact O-N 3.03Å; R248-E251 PolarHBondContact O-N 2.8Å; R248-E251 VanDerWaalsContact O-N 3.1Å; R249-E251 VanDerWaalsContact C-N 3.35Å; E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.95Å; E251-R254 PolarHBondContact O-N 3.01Å; E251-R254 IonicContact OE1-CZ 2.73Å; E251-R254 IonicContact OE1-NE 3.9Å; E251-R254 IonicContact OE1-NH2 2.82Å; E251-R254 PolarHBondContact OE1-NH2 3.29Å; E251-R254 IonicContact OE2-CZ 3.89Å; E251-R254 VanDerWaalsContact OE2-CZ 3.3Å; E251-R254 IonicContact OE2-NE 2.8Å; E251-R254 PolarHBondContact OE2-NE 3.17Å; E251-R254 IonicContact OE2-NH2 2.69Å; E251-R254 PolarHBondContact OE2-NH2 3.22Å; E251-Q255 WeakPolarHBondContact O-CG 3.43Å; E251-Q255 PolarHBondContact O-N 2.87Å; E251-Q255 PolarHBondContact OE1-NE2 3.27Å
252E95.6Very high95Very high90 Ų90100.6 Ų100.642%0.42146%0.46SS..Hα-helixtrans-52.8-50.4170-72.2163.6169.300110.4R248 R249 R254 Q255 E256R248-E252 VanDerWaalsContact CD-OE1 3.29Å; R248-E252 WeakPolarHBondContact CD-OE1 3.05Å; R248-E252 HydrophobicContact CG-CG 4.28Å; R248-E252 VanDerWaalsContact CG-OE1 3.32Å; R248-E252 WeakPolarHBondContact CG-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.71Å; R248-E252 PolarHBondContact NE-OE1 2.75Å; R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 VanDerWaalsContact O-CG 3.26Å; R248-E252 WeakPolarHBondContact O-CG 3.25Å; R248-E252 PolarHBondContact O-N 2.97Å; R249-E252 VanDerWaalsContact CA-OE2 3.29Å; R249-E252 WeakPolarHBondContact CA-OE2 3.43Å; E252-R254 PolarHBondContact O-N 3.23Å; E252-Q255 PolarHBondContact O-N 3.21Å; E252-E256 WeakPolarHBondContact O-CB 3.43Å; E252-E256 PolarHBondContact O-N 2.8Å
253S96.4Very high95Very high51 Ų5198.6 Ų98.636%0.35745%0.453SS..Hα-helixtrans-67-35.3178.1-174.70000113.1R249 E251 E256 I257R249-S253 WeakPolarHBondContact O-CB 3.34Å; R249-S253 PolarHBondContact O-N 3.33Å; E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.95Å; S253-E256 PolarHBondContact O-N 3.32Å; S253-I257 WeakPolarHBondContact O-CB 3.33Å; S253-I257 WeakPolarHBondContact O-CD1 3.48Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.43Å
254R95.9Very high94.9Very high120 Ų12098.8 Ų98.845%0.45345%0.453SS..Hα-helixtrans-64-44.2174-173.4-175.768.986.2-4.8111.3S250 E251 E252 E258S250-R254 WeakPolarHBondContact O-CB 3.4Å; S250-R254 PolarHBondContact O-N 2.86Å; S250-R254 VanDerWaalsContact O-N 3.14Å; E251-R254 PolarHBondContact O-N 3.01Å; E251-R254 IonicContact OE1-CZ 2.73Å; E251-R254 IonicContact OE1-NE 3.9Å; E251-R254 IonicContact OE1-NH2 2.82Å; E251-R254 PolarHBondContact OE1-NH2 3.29Å; E251-R254 IonicContact OE2-CZ 3.89Å; E251-R254 VanDerWaalsContact OE2-CZ 3.3Å; E251-R254 IonicContact OE2-NE 2.8Å; E251-R254 PolarHBondContact OE2-NE 3.17Å; E251-R254 IonicContact OE2-NH2 2.69Å; E251-R254 PolarHBondContact OE2-NH2 3.22Å; E252-R254 PolarHBondContact O-N 3.23Å; R254-E258 IonicContact CZ-OE1 2.72Å; R254-E258 IonicContact NH1-OE1 3.5Å; R254-E258 PolarHBondContact NH1-OE1 3.48Å; R254-E258 WeakPolarHBondContact O-CB 3.5Å; R254-E258 WeakPolarHBondContact O-CG 3.38Å; R254-E258 PolarHBondContact O-N 3.47Å
255Q95.5Very high94.8Very high101 Ų10199.8 Ų99.847%0.47245%0.452SS..Hα-helixtrans-63.4-47.2176.7-69.3176.115.900110.9E251 E252 I257 E258 E259E251-Q255 WeakPolarHBondContact O-CG 3.43Å; E251-Q255 PolarHBondContact O-N 2.87Å; E251-Q255 PolarHBondContact OE1-NE2 3.27Å; E252-Q255 PolarHBondContact O-N 3.21Å; Q255-I257 PolarHBondContact O-N 3.28Å; Q255-E258 PolarHBondContact O-N 3.38Å; Q255-E259 WeakPolarHBondContact O-CG 3.43Å; Q255-E259 PolarHBondContact O-N 3.05Å
256E95.9Very high94.6Very high132 Ų132102.8 Ų102.862%0.61747%0.465SS*.Hα-helixtrans-54.2-52.3175-178-171.3-165.300111.9E252 S253 E258 E259 F260E252-E256 WeakPolarHBondContact O-CB 3.43Å; E252-E256 PolarHBondContact O-N 2.8Å; S253-E256 PolarHBondContact O-N 3.32Å; E256-E258 VanDerWaalsContact C-N 3.3Å; E256-E258 PolarHBondContact O-N 3.47Å; E256-E259 PolarHBondContact O-N 2.92Å; E256-F260 WeakPolarHBondContact O-CB 3.46Å; E256-F260 PolarHBondContact O-N 3.09Å
257I94Very high94.5Very high87 Ų8799 Ų9945%0.44645%0.451SS..Hα-helixtrans-60.4-41.7-179.8-70.2164.7000111.1S253 Q255 Q261S253-I257 WeakPolarHBondContact O-CB 3.33Å; S253-I257 WeakPolarHBondContact O-CD1 3.48Å; S253-I257 WeakPolarHBondContact O-CG1 3.47Å; S253-I257 PolarHBondContact O-N 3.43Å; Q255-I257 PolarHBondContact O-N 3.28Å; I257-Q261 WeakPolarHBondContact O-CB 3.13Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.24Å; I257-Q261 PolarHBondContact O-N 3.21Å; I257-Q261 VanDerWaalsContact O-N 3.07Å
258E94.8Very high94.4Very high73 Ų7393 Ų9334%0.34143%0.426SS..Hα-helixtrans-67.3-43.5177.6-84.8-168.2-140.200113.3R254 Q255 E256 K262R254-E258 IonicContact CZ-OE1 2.72Å; R254-E258 IonicContact NH1-OE1 3.5Å; R254-E258 PolarHBondContact NH1-OE1 3.48Å; R254-E258 WeakPolarHBondContact O-CB 3.5Å; R254-E258 WeakPolarHBondContact O-CG 3.38Å; R254-E258 PolarHBondContact O-N 3.47Å; Q255-E258 PolarHBondContact O-N 3.38Å; E256-E258 VanDerWaalsContact C-N 3.3Å; E256-E258 PolarHBondContact O-N 3.47Å; E258-K262 WeakPolarHBondContact O-CD 3.48Å; E258-K262 WeakPolarHBondContact O-CE 3.43Å; E258-K262 WeakPolarHBondContact O-CG 3.46Å; E258-K262 PolarHBondContact O-N 2.93Å; E258-K262 VanDerWaalsContact O-N 3.09Å; E258-K262 IonicContact OE2-NZ 3.9Å; E258-K262 PolarHBondContact OE2-NZ 3Å
259E95.5Very high94.4Very high127 Ų12788.9 Ų88.959%0.59341%0.413SS*.Hα-helixtrans-69.9-41.9178.3-69.1-159.2149.400111.9Q255 E256 Q261 K262 L263Q255-E259 WeakPolarHBondContact O-CG 3.43Å; Q255-E259 PolarHBondContact O-N 3.05Å; E256-E259 PolarHBondContact O-N 2.92Å; E259-Q261 PolarHBondContact O-N 3.41Å; E259-K262 WeakPolarHBondContact O-CB 3.13Å; E259-K262 PolarHBondContact O-N 3.3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; E259-L263 WeakPolarHBondContact O-CG 3.27Å; E259-L263 PolarHBondContact O-N 3.02Å
260F93.1Very high94.2Very high119 Ų11984.4 Ų84.452%0.52240%0.399SS..Hα-helixtrans-59.8-44.2174.9-172.8-111.8000111.6E256 K262 L263 Q264E256-F260 WeakPolarHBondContact O-CB 3.46Å; E256-F260 PolarHBondContact O-N 3.09Å; F260-K262 PolarHBondContact O-N 3.28Å; F260-L263 PolarHBondContact O-N 2.7Å; F260-Q264 HydrophobicContact CD1-CG 4.3Å; F260-Q264 HydrophobicContact CE1-CG 4.03Å; F260-Q264 VanDerWaalsContact CE1-NE2 3.28Å; F260-Q264 HydrophobicContact CE2-CG 4.39Å; F260-Q264 HydrophobicContact CZ-CG 4.08Å; F260-Q264 WeakPolarHBondContact O-CB 3.45Å; F260-Q264 WeakPolarHBondContact O-CG 3.24Å; F260-Q264 PolarHBondContact O-N 3Å
261Q92.9Very high94Very high75 Ų7584.7 Ų84.735%0.3539%0.394SS..Hα-helixtrans-63-38173.2-76.7-176.938.600113.3I257 E259 R265I257-Q261 WeakPolarHBondContact O-CB 3.13Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.24Å; I257-Q261 PolarHBondContact O-N 3.21Å; I257-Q261 VanDerWaalsContact O-N 3.07Å; E259-Q261 PolarHBondContact O-N 3.41Å; Q261-R265 WeakPolarHBondContact O-CB 3.45Å; Q261-R265 WeakPolarHBondContact O-CD 3.47Å; Q261-R265 VanDerWaalsContact O-CG 3.32Å; Q261-R265 WeakPolarHBondContact O-CG 3.47Å; Q261-R265 PolarHBondContact O-N 2.81Å; Q261-R265 VanDerWaalsContact O-N 3.09Å
262K93.6Very high93.8Very high108 Ų10884.4 Ų84.447%0.4740%0.4SS..Hα-helixtrans-64.3-42.9176-69.8157.2-160.1164.30110.3E258 E259 F260 Q266E258-K262 WeakPolarHBondContact O-CD 3.48Å; E258-K262 WeakPolarHBondContact O-CE 3.43Å; E258-K262 WeakPolarHBondContact O-CG 3.46Å; E258-K262 PolarHBondContact O-N 2.93Å; E258-K262 VanDerWaalsContact O-N 3.09Å; E258-K262 IonicContact OE2-NZ 3.9Å; E258-K262 PolarHBondContact OE2-NZ 3Å; E259-K262 WeakPolarHBondContact O-CB 3.13Å; E259-K262 PolarHBondContact O-N 3.3Å; E259-K262 VanDerWaalsContact O-N 3.12Å; F260-K262 PolarHBondContact O-N 3.28Å; K262-Q266 WeakPolarHBondContact O-CB 3.35Å; K262-Q266 PolarHBondContact O-N 2.87Å
263L93.9Very high93.7Very high84 Ų8480.8 Ų80.844%0.4439%0.387SS..Hα-helixtrans-68.1-46.7177.3-68.8168.1000112.4E259 F260 R265 Q266 Y267E259-L263 WeakPolarHBondContact O-CG 3.27Å; E259-L263 PolarHBondContact O-N 3.02Å; F260-L263 PolarHBondContact O-N 2.7Å; L263-R265 VanDerWaalsContact C-N 3.29Å; L263-R265 PolarHBondContact O-N 3.12Å; L263-Q266 PolarHBondContact O-N 2.89Å; L263-Q266 VanDerWaalsContact O-N 3.11Å; L263-Y267 HydrophobicContact CD2-CE2 4.16Å; L263-Y267 VanDerWaalsContact O-CD2 3.32Å; L263-Y267 WeakPolarHBondContact O-CD2 3.47Å; L263-Y267 PolarHBondContact O-N 3.01Å
264Q92.1Very high93.7Very high58 Ų5878.3 Ų78.327%0.27137%0.37SS..Hα-helixtrans-56.6-42.6175.1-75.9-174.5-45.400111.7F260 G268 L269 D270F260-Q264 HydrophobicContact CD1-CG 4.3Å; F260-Q264 HydrophobicContact CE1-CG 4.03Å; F260-Q264 VanDerWaalsContact CE1-NE2 3.28Å; F260-Q264 HydrophobicContact CE2-CG 4.39Å; F260-Q264 HydrophobicContact CZ-CG 4.08Å; F260-Q264 WeakPolarHBondContact O-CB 3.45Å; F260-Q264 WeakPolarHBondContact O-CG 3.24Å; F260-Q264 PolarHBondContact O-N 3Å; Q264-G268 PolarHBondContact O-N 3.38Å; Q264-L269 PolarHBondContact O-N 3.4Å; Q264-D270 HydrophobicContact CB-CB 3.93Å; Q264-D270 PolarHBondContact O-N 2.95Å
265R92.4Very high93.8Very high143 Ų14373.4 Ų73.454%0.5435%0.351SS..Hα-helixtrans-62.6-44.6173.7-78.8166.9-169.5144.217.5112.4Q261 L263 G268 D270Q261-R265 WeakPolarHBondContact O-CB 3.45Å; Q261-R265 WeakPolarHBondContact O-CD 3.47Å; Q261-R265 VanDerWaalsContact O-CG 3.32Å; Q261-R265 WeakPolarHBondContact O-CG 3.47Å; Q261-R265 PolarHBondContact O-N 2.81Å; Q261-R265 VanDerWaalsContact O-N 3.09Å; L263-R265 VanDerWaalsContact C-N 3.29Å; L263-R265 PolarHBondContact O-N 3.12Å; R265-G268 PolarHBondContact O-N 3.04Å; R265-D270 HydrophobicContact CG-CB 4.04Å; R265-D270 WeakPolarHBondContact CG-OD2 3.5Å; R265-D270 IonicContact NE-OD2 3.3Å
266Q91.8Very high93.8Very high97 Ų9770.9 Ų70.945%0.45334%0.339SS..Hα-helixtrans-61.8-47.9-179.6178.8179.2-25.800112K262 L263 G268 W423K262-Q266 WeakPolarHBondContact O-CB 3.35Å; K262-Q266 PolarHBondContact O-N 2.87Å; L263-Q266 PolarHBondContact O-N 2.89Å; L263-Q266 VanDerWaalsContact O-N 3.11Å; Q266-G268 VanDerWaalsContact C-N 3.28Å; Q266-G268 PolarHBondContact O-N 3.09Å; Q266-W423 HydrophobicContact CG-CH2 3.87Å; Q266-W423 HydrophobicContact CG-CZ2 4.19Å; Q266-W423 HydrophobicContact CG-CZ3 4.41Å; Q266-W423 VanDerWaalsContact O-CZ2 3.3Å; Q266-W423 WeakPolarHBondContact O-CZ2 3.45Å; Q266-W423 PolarHBondContact O-NE1 3.06Å
267Y93.8Very high93.9Very high74 Ų7469.3 Ų69.329%0.2933%0.331SS..Hα-helixtrans-83.1-1.1-179.6-68.3-75.3000113.8L263 A422 W423 Q489L263-Y267 HydrophobicContact CD2-CE2 4.16Å; L263-Y267 VanDerWaalsContact O-CD2 3.32Å; L263-Y267 WeakPolarHBondContact O-CD2 3.47Å; L263-Y267 PolarHBondContact O-N 3.01Å; Y267-A422 WeakPolarHBondContact O-CA 3.48Å; Y267-W423 HydrophobicContact CD1-CD2 4.07Å; Y267-W423 AromaticContact CD1-CE3 3.48Å; Y267-W423 HydrophobicContact CD1-CE3 3.48Å; Y267-W423 VanDerWaalsContact CD1-CE3 3.48Å; Y267-W423 HydrophobicContact CD1-CG 4.5Å; Y267-W423 HydrophobicContact CD1-CZ3 4.01Å; Y267-W423 AromaticContact CE1-CE3 3.6Å; Y267-W423 HydrophobicContact CE1-CE3 3.6Å; Y267-W423 AromaticContact CE1-CZ3 3.77Å; Y267-W423 HydrophobicContact CE1-CZ3 3.77Å; Y267-W423 PolarHBondContact O-N 3.24Å; Y267-Q489 PolarHBondContact OH-NE2 3.1Å
268G93.9Very high94.1Very high3 Ų366.3 Ų66.33%0.03132%0.316CS..THydrogen-bonded Turntrans76.818.717700000115.5Q264 R265 Q266 K421 A422Q264-G268 PolarHBondContact O-N 3.38Å; R265-G268 PolarHBondContact O-N 3.04Å; Q266-G268 VanDerWaalsContact C-N 3.28Å; Q266-G268 PolarHBondContact O-N 3.09Å; G268-K421 PolarHBondContact O-N 2.98Å; G268-A422 PolarHBondContact O-N 3.23Å
269L94.1Very high94.2Very high32 Ų3264 Ų6417%0.16831%0.305CS..  trans-99.16.1-175.9-56.9179.1000113.5Q264 N271 L413 A422Q264-L269 PolarHBondContact O-N 3.4Å; L269-N271 PolarHBondContact O-N 2.85Å; L269-L413 HydrophobicContact CD2-CD2 4.04Å; L269-A422 HydrophobicContact CD2-CB 3.85Å
270D91.9Very high94.3Very high43 Ų4358.9 Ų58.923%0.2328%0.282CS..SBendtrans-80.10179.280-27.3000114.4Q264 R265 S272Q264-D270 HydrophobicContact CB-CB 3.93Å; Q264-D270 PolarHBondContact O-N 2.95Å; R265-D270 HydrophobicContact CG-CB 4.04Å; R265-D270 WeakPolarHBondContact CG-OD2 3.5Å; R265-D270 IonicContact NE-OD2 3.3Å; D270-S272 VanDerWaalsContact C-N 3.25Å; D270-S272 VanDerWaalsContact CG-OG 3.28Å; D270-S272 PolarHBondContact O-N 2.97Å; D270-S272 WeakPolarHBondContact OD1-CB 3.41Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 3.37Å; D270-S272 VanDerWaalsContact OD2-CB 3.28Å; D270-S272 WeakPolarHBondContact OD2-CB 3.21Å; D270-S272 PolarHBondContact OD2-OG 2.92Å
271N90.8Very high94.5Very high89 Ų8961.3 Ų61.348%0.47629%0.287SS..  trans59.523-175.5-57.3-76.2000115.2L269 G273 R416L269-N271 PolarHBondContact O-N 2.85Å; N271-G273 PolarHBondContact O-N 2.73Å; N271-R416 PolarHBondContact OD1-NH1 2.87Å; N271-R416 PolarHBondContact OD1-NH2 3.45Å
272S90.8Very high94.8Very high66 Ų6659.9 Ų59.946%0.46228%0.282SS..  trans-71.328.6179.261.80000116.2D270D270-S272 VanDerWaalsContact C-N 3.25Å; D270-S272 VanDerWaalsContact CG-OG 3.28Å; D270-S272 PolarHBondContact O-N 2.97Å; D270-S272 WeakPolarHBondContact OD1-CB 3.41Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 3.37Å; D270-S272 VanDerWaalsContact OD2-CB 3.28Å; D270-S272 WeakPolarHBondContact OD2-CB 3.21Å; D270-S272 PolarHBondContact OD2-OG 2.92Å
273G93.6Very high94.9Very high14 Ų1454.8 Ų54.814%0.14426%0.26CS..  trans77.7174.3-17100000113.1N271 G419 K421N271-G273 PolarHBondContact O-N 2.73Å; G273-G419 CarbonylContact C-O 3.59Å; G273-G419 WeakPolarHBondContact CA-O 3.5Å; G273-K421 WeakPolarHBondContact O-CE 3.43Å; G273-K421 WeakPolarHBondContact O-CG 3.34Å
274G96.6Very high95.1Very high0 Ų054.8 Ų54.80%026%0.258CS..  trans-124.4-144-173.400000113.5K276 Q277 Q278 G419 T420G274-K276 PolarHBondContact O-N 3.2Å; G274-Q277 PolarHBondContact O-N 2.8Å; G274-Q278 WeakPolarHBondContact O-CB 3.07Å; G274-Q278 PolarHBondContact O-N 3.25Å; G274-G419 PolarHBondContact N-O 2.95Å; G274-T420 WeakPolarHBondContact CA-O 3.43Å
275Y98.1Very high95.4Very high16 Ų1654.6 Ų54.66%0.06326%0.258CS..Hα-helixtrans-54.3-53.5-175.5-173-93.3000113.9Q277 Q278 Q279 L308 S352 D355 W358 I390 P391Y275-Q277 PolarHBondContact O-N 2.76Å; Y275-Q278 PolarHBondContact O-N 3.06Å; Y275-Q279 VanDerWaalsContact O-CB 3.31Å; Y275-Q279 WeakPolarHBondContact O-CB 3.33Å; Y275-Q279 PolarHBondContact O-N 3.32Å; Y275-L308 HydrophobicContact CD1-CD2 4.12Å; Y275-L308 HydrophobicContact CE1-CD2 4.42Å; Y275-S352 VanDerWaalsContact CE2-OG 3.27Å; Y275-S352 WeakPolarHBondContact CE2-OG 3.22Å; Y275-S352 PolarHBondContact OH-OG 2.89Å; Y275-S352 VanDerWaalsContact OH-OG 3.11Å; Y275-D355 HydrophobicContact CD2-CB 3.9Å; Y275-D355 HydrophobicContact CE2-CB 3.92Å; Y275-W358 HydrophobicContact CD2-CZ2 4.38Å; Y275-I390 HydrophobicContact CD2-CB 3.94Å; Y275-I390 HydrophobicContact CD2-CG1 4.11Å; Y275-I390 HydrophobicContact CD2-CG2 4.43Å; Y275-I390 HydrophobicContact CE2-CB 4.2Å; Y275-I390 HydrophobicContact CE2-CG1 3.89Å; Y275-P391 HydrophobicContact CD1-CG 4.14Å; Y275-P391 HydrophobicContact CG-CG 4.05Å
276K97.3Very high95.6Very high48 Ų4849.8 Ų49.821%0.20924%0.242CC..Hα-helixtrans-56.3-51.5-178.7176.2177.7171.6179.70110.9G274 Q278 Q279 L280 M304 M305 L308G274-K276 PolarHBondContact O-N 3.2Å; K276-Q278 PolarHBondContact O-N 3.49Å; K276-Q279 PolarHBondContact O-N 2.77Å; K276-L280 HydrophobicContact CG-CD1 3.95Å; K276-L280 WeakPolarHBondContact O-CG 3.41Å; K276-L280 PolarHBondContact O-N 3.39Å; K276-M304 HydrophobicContact CG-CE 4.05Å; K276-M305 HydrophobicContact CD-SD 3.9Å; K276-M305 WeakPolarHBondContact CE-SD 3.22Å; K276-L308 HydrophobicContact CB-CD1 4.08Å; K276-L308 HydrophobicContact CG-CD1 4.39Å
277Q97.4Very high95.9Very high99 Ų9946.9 Ų46.946%0.46323%0.231SC..Hα-helixtrans-64.3-40.2-178-63.380.34.900111.7G274 Y275 R281G274-Q277 PolarHBondContact O-N 2.8Å; Y275-Q277 PolarHBondContact O-N 2.76Å; Q277-R281 VanDerWaalsContact O-CB 3.24Å; Q277-R281 WeakPolarHBondContact O-CB 3.38Å; Q277-R281 PolarHBondContact O-N 3.36Å; Q277-R281 VanDerWaalsContact O-N 3.08Å
278Q97.8Very high96Very high25 Ų2550 Ų5012%0.11725%0.252CS..Hα-helixtrans-71.6-39.2177.8-178.7168.3-51.600112.7G274 Y275 K276 N282 L353 G354 K356 K421G274-Q278 WeakPolarHBondContact O-CB 3.07Å; G274-Q278 PolarHBondContact O-N 3.25Å; Y275-Q278 PolarHBondContact O-N 3.06Å; K276-Q278 PolarHBondContact O-N 3.49Å; Q278-N282 WeakPolarHBondContact CG-ND2 3.36Å; Q278-N282 VanDerWaalsContact O-CB 3.23Å; Q278-N282 WeakPolarHBondContact O-CB 3.46Å; Q278-N282 VanDerWaalsContact O-CG 3.3Å; Q278-N282 PolarHBondContact O-N 3.36Å; Q278-N282 PolarHBondContact O-ND2 2.83Å; Q278-L353 WeakPolarHBondContact CG-O 3.4Å; Q278-L353 PolarHBondContact NE2-O 3.34Å; Q278-L353 VanDerWaalsContact NE2-O 3.09Å; Q278-G354 WeakPolarHBondContact CB-O 3.48Å; Q278-G354 WeakPolarHBondContact CG-O 3.41Å; Q278-G354 PolarHBondContact NE2-O 3.49Å; Q278-G354 VanDerWaalsContact NE2-O 3.12Å; Q278-K356 PolarHBondContact NE2-O 2.9Å; Q278-K421 VanDerWaalsContact OE1-CE 3.28Å
279Q97.4Very high96.2Very high23 Ų2356.7 Ų56.711%0.10728%0.276CS..Hα-helixtrans-63.6-47.9178.1179.363.938.900110.4Y275 K276 N282 M283 M304Y275-Q279 VanDerWaalsContact O-CB 3.31Å; Y275-Q279 WeakPolarHBondContact O-CB 3.33Å; Y275-Q279 PolarHBondContact O-N 3.32Å; K276-Q279 PolarHBondContact O-N 2.77Å; Q279-N282 PolarHBondContact O-N 3.48Å; Q279-M283 HydrophobicContact CG-CE 4.26Å; Q279-M283 PolarHBondContact NE2-SD 2.94Å; Q279-M283 VanDerWaalsContact O-CG 3.31Å; Q279-M283 WeakPolarHBondContact O-CG 3.2Å; Q279-M283 PolarHBondContact O-N 2.79Å; Q279-M304 HydrophobicContact CB-SD 3.79Å; Q279-M304 HydrophobicContact CG-CG 4.27Å; Q279-M304 HydrophobicContact CG-SD 3.45Å; Q279-M304 WeakPolarHBondContact CG-SD 3.45Å
280L97.4Very high96.2Very high21 Ų2158 Ų5811%0.1130%0.298CS..Hα-helixtrans-59.4-56.4176.1-68.7171.4000111.5K276 N282 M283 E284 F297 K301 M304K276-L280 HydrophobicContact CG-CD1 3.95Å; K276-L280 WeakPolarHBondContact O-CG 3.41Å; K276-L280 PolarHBondContact O-N 3.39Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.14Å; L280-M283 HydrophobicContact CD2-CE 4.2Å; L280-M283 PolarHBondContact O-N 3.18Å; L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.23Å; L280-F297 HydrophobicContact CD2-CZ 4.19Å; L280-K301 HydrophobicContact CD2-CB 4.17Å; L280-K301 HydrophobicContact CD2-CD 3.99Å; L280-K301 HydrophobicContact CD2-CG 3.87Å; L280-M304 HydrophobicContact CD1-CE 4.38Å; L280-M304 HydrophobicContact CD2-CE 3.92Å; L280-M304 HydrophobicContact CG-CE 4.04Å
281R97.6Very high96.5Very high169 Ų16963.6 Ų63.664%0.63832%0.316SS*.Hα-helixtrans-56.6-37.6-179.5-169.7-179.1-173.7-170.73113.4Q277 I285Q277-R281 VanDerWaalsContact O-CB 3.24Å; Q277-R281 WeakPolarHBondContact O-CB 3.38Å; Q277-R281 PolarHBondContact O-N 3.36Å; Q277-R281 VanDerWaalsContact O-N 3.08Å; R281-I285 HydrophobicContact CG-CD1 4.35Å; R281-I285 WeakPolarHBondContact O-CB 3.48Å; R281-I285 WeakPolarHBondContact O-CD1 3.44Å; R281-I285 VanDerWaalsContact O-CG1 3.22Å; R281-I285 WeakPolarHBondContact O-CG1 3.5Å; R281-I285 PolarHBondContact O-N 3.29Å; R281-I285 VanDerWaalsContact O-N 3.08Å
282N97.8Very high96.8Very high46 Ų4660 Ų6025%0.24630%0.297CS..Hα-helixtrans-75.7-27.8177.6-76-21.7000113Q278 Q279 L280 E286 L353Q278-N282 WeakPolarHBondContact CG-ND2 3.36Å; Q278-N282 VanDerWaalsContact O-CB 3.23Å; Q278-N282 WeakPolarHBondContact O-CB 3.46Å; Q278-N282 VanDerWaalsContact O-CG 3.3Å; Q278-N282 PolarHBondContact O-N 3.36Å; Q278-N282 PolarHBondContact O-ND2 2.83Å; Q279-N282 PolarHBondContact O-N 3.48Å; L280-N282 VanDerWaalsContact C-N 3.26Å; L280-N282 PolarHBondContact O-N 3.14Å; N282-E286 WeakPolarHBondContact O-CG 3.47Å; N282-E286 PolarHBondContact O-N 3.25Å; N282-L353 HydrophobicContact CB-CB 3.78Å; N282-L353 HydrophobicContact CB-CD1 4.27Å; N282-L353 HydrophobicContact CB-CG 4.44Å; N282-L353 PolarHBondContact ND2-O 3.05Å
283M97.4Very high97.1Very high0 Ų060.1 Ų60.10%030%0.295CS..Hα-helixtrans-75.2-40.9170.6-65.6-172.6-52.400111.5Q279 L280 I285 E286 V287 M292 F297 R300 L353Q279-M283 HydrophobicContact CG-CE 4.26Å; Q279-M283 PolarHBondContact NE2-SD 2.94Å; Q279-M283 VanDerWaalsContact O-CG 3.31Å; Q279-M283 WeakPolarHBondContact O-CG 3.2Å; Q279-M283 PolarHBondContact O-N 2.79Å; L280-M283 HydrophobicContact CD2-CE 4.2Å; L280-M283 PolarHBondContact O-N 3.18Å; M283-I285 VanDerWaalsContact C-N 3.26Å; M283-I285 PolarHBondContact O-N 2.9Å; M283-E286 PolarHBondContact O-N 3.17Å; M283-V287 WeakPolarHBondContact O-CG2 3.4Å; M283-V287 PolarHBondContact O-N 3.17Å; M283-M292 HydrophobicContact CB-CE 4.24Å; M283-M292 HydrophobicContact CB-SD 4.01Å; M283-M292 HydrophobicContact CG-CE 4.05Å; M283-M292 HydrophobicContact CG-SD 4.32Å; M283-M292 HydrophobicContact SD-CE 4.43Å; M283-F297 HydrophobicContact CB-CD2 3.58Å; M283-F297 HydrophobicContact CB-CE2 3.79Å; M283-F297 HydrophobicContact CE-CD2 4.31Å; M283-F297 HydrophobicContact CE-CE2 4.21Å; M283-R300 HydrophobicContact CE-CB 4.23Å; M283-R300 HydrophobicContact SD-CB 3.65Å; M283-R300 HydrophobicContact SD-CG 4.49Å; M283-L353 HydrophobicContact CG-CD1 3.82Å
284E97.2Very high97.2Very high84 Ų8462.8 Ų62.839%0.39331%0.31SS..Hα-helixtrans-53.1-44.2170.8-70.3154.2-147.800111.3L280 E286 V287 N288 F297L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.23Å; E284-E286 VanDerWaalsContact C-N 3.31Å; E284-E286 PolarHBondContact O-N 2.94Å; E284-V287 PolarHBondContact O-N 2.77Å; E284-N288 WeakPolarHBondContact O-CB 3.25Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 3.34Å; E284-N288 PolarHBondContact O-ND2 3.21Å; E284-F297 HydrophobicContact CG-CE2 3.73Å; E284-F297 HydrophobicContact CG-CZ 3.93Å
285I97.8Very high97.1Very high55 Ų5565.6 Ų65.628%0.28233%0.33SS..Hα-helixtrans-61.1-36.8176.1-75.6166000112.1R281 M283 R289R281-I285 HydrophobicContact CG-CD1 4.35Å; R281-I285 WeakPolarHBondContact O-CB 3.48Å; R281-I285 WeakPolarHBondContact O-CD1 3.44Å; R281-I285 VanDerWaalsContact O-CG1 3.22Å; R281-I285 WeakPolarHBondContact O-CG1 3.5Å; R281-I285 PolarHBondContact O-N 3.29Å; R281-I285 VanDerWaalsContact O-N 3.08Å; M283-I285 VanDerWaalsContact C-N 3.26Å; M283-I285 PolarHBondContact O-N 2.9Å; I285-R289 WeakPolarHBondContact O-CB 3.41Å; I285-R289 WeakPolarHBondContact O-CD 3.43Å; I285-R289 WeakPolarHBondContact O-CG 3.48Å; I285-R289 PolarHBondContact O-N 3.47Å
286E97.4Very high97Very high42 Ų4266.8 Ų66.820%0.19634%0.336CS..Hα-helixtrans-79.5-28178.5-64.6-62.510800112.8N282 M283 E284 R289 G290 R291 M292N282-E286 WeakPolarHBondContact O-CG 3.47Å; N282-E286 PolarHBondContact O-N 3.25Å; M283-E286 PolarHBondContact O-N 3.17Å; E284-E286 VanDerWaalsContact C-N 3.31Å; E284-E286 PolarHBondContact O-N 2.94Å; E286-R289 PolarHBondContact O-N 3.01Å; E286-R289 VanDerWaalsContact OE1-CD 3.25Å; E286-R289 WeakPolarHBondContact OE1-CD 3.48Å; E286-R289 IonicContact OE1-CZ 2.78Å; E286-R289 IonicContact OE1-NE 3.85Å; E286-R289 IonicContact OE1-NH1 3.18Å; E286-R289 PolarHBondContact OE1-NH1 3.42Å; E286-G290 PolarHBondContact O-N 3.14Å; E286-R291 HydrophobicContact CB-CB 4.45Å; E286-R291 VanDerWaalsContact CD-NH1 3.25Å; E286-R291 PolarHBondContact O-N 3.36Å; E286-R291 IonicContact OE1-NH1 3.11Å; E286-R291 PolarHBondContact OE1-NH1 3.29Å; E286-R291 WeakPolarHBondContact OE2-CD 3.36Å; E286-R291 IonicContact OE2-CZ 3.62Å; E286-R291 IonicContact OE2-NE 2.96Å; E286-R291 IonicContact OE2-NH1 2.69Å; E286-R291 PolarHBondContact OE2-NH1 2.8Å; E286-M292 HydrophobicContact CB-CB 4.35Å; E286-M292 PolarHBondContact O-N 2.72Å
287V97.1Very high96.9Very high36 Ų3665.7 Ų65.722%0.21833%0.331CS..Hα-helixtrans-63.3-51.6166.7176.90000110.1M283 E284 R289 G290 M292 P294 F297M283-V287 WeakPolarHBondContact O-CG2 3.4Å; M283-V287 PolarHBondContact O-N 3.17Å; E284-V287 PolarHBondContact O-N 2.77Å; V287-R289 PolarHBondContact O-N 3.06Å; V287-G290 PolarHBondContact O-N 3.15Å; V287-M292 WeakPolarHBondContact CA-O 3.47Å; V287-M292 HydrophobicContact CG2-CB 3.99Å; V287-M292 HydrophobicContact CG2-CG 4.07Å; V287-M292 HydrophobicContact CG2-SD 4.23Å; V287-P294 HydrophobicContact CG1-CG 4.12Å; V287-F297 HydrophobicContact CG2-CB 3.71Å; V287-F297 HydrophobicContact CG2-CD2 4.13Å; V287-F297 HydrophobicContact CG2-CG 4.16Å
288N96.8Very high96.8Very high140 Ų14063.1 Ų63.175%0.74932%0.319SS*.THydrogen-bonded Turntrans-62.7-4.6176.6-68.2-27.8000114.2E284E284-N288 WeakPolarHBondContact O-CB 3.25Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 3.34Å; E284-N288 PolarHBondContact O-ND2 3.21Å
289R97.5Very high96.7Very high142 Ų14268.3 Ų68.354%0.53634%0.338SS..THydrogen-bonded Turntrans-109.64.4175.3-73.7167.3170.8173.80.5113.4I285 E286 V287 R291I285-R289 WeakPolarHBondContact O-CB 3.41Å; I285-R289 WeakPolarHBondContact O-CD 3.43Å; I285-R289 WeakPolarHBondContact O-CG 3.48Å; I285-R289 PolarHBondContact O-N 3.47Å; E286-R289 PolarHBondContact O-N 3.01Å; E286-R289 VanDerWaalsContact OE1-CD 3.25Å; E286-R289 WeakPolarHBondContact OE1-CD 3.48Å; E286-R289 IonicContact OE1-CZ 2.78Å; E286-R289 IonicContact OE1-NE 3.85Å; E286-R289 IonicContact OE1-NH1 3.18Å; E286-R289 PolarHBondContact OE1-NH1 3.42Å; V287-R289 PolarHBondContact O-N 3.06Å; R289-R291 HydrophobicContact CB-CG 4.06Å; R289-R291 PolarHBondContact O-N 2.72Å
290G95.4Very high96.7Very high60 Ų6071.8 Ų71.862%0.61935%0.35SS*.THydrogen-bonded Turntrans66.121.4-175.300000114.1E286 V287E286-G290 PolarHBondContact O-N 3.14Å; V287-G290 PolarHBondContact O-N 3.15Å
291R96.9Very high96.6Very high160 Ų16072.4 Ų72.460%0.60435%0.352SS*.SBendtrans-104.6-5.6-178.5-52.3-161.4-153127.4-2.1114.3E286 R289E286-R291 HydrophobicContact CB-CB 4.45Å; E286-R291 VanDerWaalsContact CD-NH1 3.25Å; E286-R291 PolarHBondContact O-N 3.36Å; E286-R291 IonicContact OE1-NH1 3.11Å; E286-R291 PolarHBondContact OE1-NH1 3.29Å; E286-R291 WeakPolarHBondContact OE2-CD 3.36Å; E286-R291 IonicContact OE2-CZ 3.62Å; E286-R291 IonicContact OE2-NE 2.96Å; E286-R291 IonicContact OE2-NH1 2.69Å; E286-R291 PolarHBondContact OE2-NH1 2.8Å; R289-R291 HydrophobicContact CB-CG 4.06Å; R289-R291 PolarHBondContact O-N 2.72Å
292M96.8Very high96.4Very high15 Ų1565.8 Ų65.87%0.07433%0.333CS..SBendtrans-143.7124.2175.1-177.5177.4-63.100108M283 E286 V287 E296 F297M283-M292 HydrophobicContact CB-CE 4.24Å; M283-M292 HydrophobicContact CB-SD 4.01Å; M283-M292 HydrophobicContact CG-CE 4.05Å; M283-M292 HydrophobicContact CG-SD 4.32Å; M283-M292 HydrophobicContact SD-CE 4.43Å; E286-M292 HydrophobicContact CB-CB 4.35Å; E286-M292 PolarHBondContact O-N 2.72Å; V287-M292 WeakPolarHBondContact CA-O 3.47Å; V287-M292 HydrophobicContact CG2-CB 3.99Å; V287-M292 HydrophobicContact CG2-CG 4.07Å; V287-M292 HydrophobicContact CG2-SD 4.23Å; M292-E296 HydrophobicContact CG-CB 4.09Å; M292-E296 HydrophobicContact CG-CG 4.06Å; M292-E296 HydrophobicContact SD-CG 4.46Å; M292-F297 HydrophobicContact SD-CB 4Å
293P97.1Very high96.2Very high67 Ų6766 Ų6644%0.43534%0.335SS..  trans-70.8148.4173.828.4-32.4000110.5S295 E296 F297P293-S295 VanDerWaalsContact C-N 3.27Å; P293-S295 PolarHBondContact O-N 2.81Å; P293-E296 HydrophobicContact CG-CB 3.78Å; P293-E296 WeakPolarHBondContact O-CB 3.48Å; P293-E296 PolarHBondContact O-N 3.01Å; P293-F297 PolarHBondContact O-N 2.89Å; P293-F297 VanDerWaalsContact O-N 3.14Å
294P96.6Very high96.1Very high71 Ų7166.5 Ų66.546%0.46134%0.337SS..Hα-helixtrans-55.3-36.5-178.7-28.835.8000114.4V287 E296 F297 H298V287-P294 HydrophobicContact CG1-CG 4.12Å; P294-E296 VanDerWaalsContact C-N 3.31Å; P294-E296 PolarHBondContact O-N 2.87Å; P294-F297 WeakPolarHBondContact O-CB 3.27Å; P294-F297 PolarHBondContact O-N 2.98Å; P294-F297 VanDerWaalsContact O-N 3.12Å; P294-H298 PolarHBondContact O-CD2 2.98Å; P294-H298 PolarHBondContact O-N 3.2Å
295S94.9Very high96Very high59 Ų5963.2 Ų63.241%0.41332%0.322SS..Hα-helixtrans-60.4-38174.550.20000112.8Y41 P293 R299Y41-S295 PolarHBondContact OH-O 3.47Å; P293-S295 VanDerWaalsContact C-N 3.27Å; P293-S295 PolarHBondContact O-N 2.81Å; S295-R299 PolarHBondContact O-N 3.4Å
296E95.7Very high95.8Very high40 Ų4064.7 Ų64.719%0.18733%0.327CS..Hα-helixtrans-70.5-35.4173.3177.4161.9-14100112.3M292 P293 P294 R299 R300M292-E296 HydrophobicContact CG-CB 4.09Å; M292-E296 HydrophobicContact CG-CG 4.06Å; M292-E296 HydrophobicContact SD-CG 4.46Å; P293-E296 HydrophobicContact CG-CB 3.78Å; P293-E296 WeakPolarHBondContact O-CB 3.48Å; P293-E296 PolarHBondContact O-N 3.01Å; P294-E296 VanDerWaalsContact C-N 3.31Å; P294-E296 PolarHBondContact O-N 2.87Å; E296-R299 PolarHBondContact O-N 3.25Å; E296-R299 IonicContact OE1-NH2 3.99Å; E296-R299 PolarHBondContact OE1-NH2 3.21Å; E296-R300 VanDerWaalsContact CD-NH2 3.35Å; E296-R300 HydrophobicContact CG-CG 4.02Å; E296-R300 WeakPolarHBondContact O-CB 3.29Å; E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.5Å; E296-R300 PolarHBondContact O-N 2.73Å; E296-R300 IonicContact OE1-CZ 3.28Å; E296-R300 IonicContact OE1-NE 3.05Å; E296-R300 PolarHBondContact OE1-NE 2.76Å; E296-R300 IonicContact OE1-NH2 2.61Å; E296-R300 PolarHBondContact OE1-NH2 2.65Å; E296-R300 IonicContact OE2-NH2 2.73Å
297F95.9Very high95.7Very high26 Ų2664 Ų6411%0.11433%0.327CS..Hα-helixtrans-58.1-49.4172.9170.6-89.7000111.3L280 M283 E284 V287 M292 P293 P294 R300 K301L280-F297 HydrophobicContact CD2-CZ 4.19Å; M283-F297 HydrophobicContact CB-CD2 3.58Å; M283-F297 HydrophobicContact CB-CE2 3.79Å; M283-F297 HydrophobicContact CE-CD2 4.31Å; M283-F297 HydrophobicContact CE-CE2 4.21Å; E284-F297 HydrophobicContact CG-CE2 3.73Å; E284-F297 HydrophobicContact CG-CZ 3.93Å; V287-F297 HydrophobicContact CG2-CB 3.71Å; V287-F297 HydrophobicContact CG2-CD2 4.13Å; V287-F297 HydrophobicContact CG2-CG 4.16Å; M292-F297 HydrophobicContact SD-CB 4Å; P293-F297 PolarHBondContact O-N 2.89Å; P293-F297 VanDerWaalsContact O-N 3.14Å; P294-F297 WeakPolarHBondContact O-CB 3.27Å; P294-F297 PolarHBondContact O-N 2.98Å; P294-F297 VanDerWaalsContact O-N 3.12Å; F297-R300 PolarHBondContact O-N 2.69Å; F297-K301 HydrophobicContact CE1-CD 4.34Å; F297-K301 WeakPolarHBondContact O-CB 2.99Å; F297-K301 PolarHBondContact O-N 3.06Å
298H94.4Very high95.6Very high45 Ų4563.3 Ų63.321%0.20832%0.322CS..Hα-helixtrans-64.5-42.4179.4-70.5-67.9000112.4Y41 P294 K301 A302Y41-H298 HydrophobicContact CD2-CB 3.93Å; Y41-H298 HydrophobicContact CE2-CB 3.59Å; P294-H298 PolarHBondContact O-CD2 2.98Å; P294-H298 PolarHBondContact O-N 3.2Å; H298-K301 WeakPolarHBondContact O-CB 3.28Å; H298-K301 PolarHBondContact O-N 2.71Å; H298-A302 PolarHBondContact O-N 3.21Å
299R96.5Very high95.4Very high134 Ų13457.1 Ų57.151%0.50629%0.29SS..Hα-helixtrans-59.2-52.1172.6-176.2-176.866-162.3-3.1111.8S295 E296 K301 A302 D303S295-R299 PolarHBondContact O-N 3.4Å; E296-R299 PolarHBondContact O-N 3.25Å; E296-R299 IonicContact OE1-NH2 3.99Å; E296-R299 PolarHBondContact OE1-NH2 3.21Å; R299-K301 PolarHBondContact O-N 3.09Å; R299-A302 WeakPolarHBondContact O-CA 3.47Å; R299-A302 WeakPolarHBondContact O-CB 3.23Å; R299-A302 PolarHBondContact O-N 2.85Å; R299-D303 PolarHBondContact O-N 2.81Å; R299-D303 VanDerWaalsContact O-OD1 3.08Å
300R95.9Very high95.3Very high95 Ų9554.3 Ų54.336%0.35829%0.285SS..Hα-helixtrans-63.1-30.7179.3-71.3178.7-178.5-141.810.3112.6M283 E296 F297 M304M283-R300 HydrophobicContact CE-CB 4.23Å; M283-R300 HydrophobicContact SD-CB 3.65Å; M283-R300 HydrophobicContact SD-CG 4.49Å; E296-R300 VanDerWaalsContact CD-NH2 3.35Å; E296-R300 HydrophobicContact CG-CG 4.02Å; E296-R300 WeakPolarHBondContact O-CB 3.29Å; E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.5Å; E296-R300 PolarHBondContact O-N 2.73Å; E296-R300 IonicContact OE1-CZ 3.28Å; E296-R300 IonicContact OE1-NE 3.05Å; E296-R300 PolarHBondContact OE1-NE 2.76Å; E296-R300 IonicContact OE1-NH2 2.61Å; E296-R300 PolarHBondContact OE1-NH2 2.65Å; E296-R300 IonicContact OE2-NH2 2.73Å; F297-R300 PolarHBondContact O-N 2.69Å; R300-M304 VanDerWaalsContact O-CB 3.23Å; R300-M304 WeakPolarHBondContact O-CB 3.38Å; R300-M304 PolarHBondContact O-N 2.83Å; R300-M304 VanDerWaalsContact O-N 3.11Å
301K95.3Very high95.4Very high35 Ų3551.7 Ų51.715%0.15226%0.258CS..Hα-helixtrans-63.9-45.5169.8174175.9-179.7-175.70110.8E28 L280 F297 H298 R299 M304 M305E28-K301 WeakPolarHBondContact OE2-CE 3.49Å; E28-K301 IonicContact OE2-NZ 3.98Å; E28-K301 PolarHBondContact OE2-NZ 2.75Å; L280-K301 HydrophobicContact CD2-CB 4.17Å; L280-K301 HydrophobicContact CD2-CD 3.99Å; L280-K301 HydrophobicContact CD2-CG 3.87Å; F297-K301 HydrophobicContact CE1-CD 4.34Å; F297-K301 WeakPolarHBondContact O-CB 2.99Å; F297-K301 PolarHBondContact O-N 3.06Å; H298-K301 WeakPolarHBondContact O-CB 3.28Å; H298-K301 PolarHBondContact O-N 2.71Å; R299-K301 PolarHBondContact O-N 3.09Å; K301-M304 PolarHBondContact O-N 2.74Å; K301-M305 HydrophobicContact CG-CG 4.48Å; K301-M305 WeakPolarHBondContact O-CB 3.27Å; K301-M305 WeakPolarHBondContact O-CG 3.39Å; K301-M305 PolarHBondContact O-N 3.41Å
302A94.1Very high95.4Very high30 Ų3047.2 Ų47.225%0.24825%0.245CC..Hα-helixtrans-61.5-52.9175.600000111.9M25 H298 R299 M304 M305 E306M25-A302 HydrophobicContact CE-CB 3.84Å; H298-A302 PolarHBondContact O-N 3.21Å; R299-A302 WeakPolarHBondContact O-CA 3.47Å; R299-A302 WeakPolarHBondContact O-CB 3.23Å; R299-A302 PolarHBondContact O-N 2.85Å; A302-M304 PolarHBondContact O-N 3.12Å; A302-M305 PolarHBondContact O-N 3.48Å; A302-E306 PolarHBondContact O-N 3.39Å
303D93.8Very high95.5Very high51 Ų5147.3 Ų47.327%0.27325%0.246SC..Hα-helixtrans-51.5-44.9177.5-51.1-12.2000111.6R299 S307 K316R299-D303 PolarHBondContact O-N 2.81Å; R299-D303 VanDerWaalsContact O-OD1 3.08Å; D303-S307 WeakPolarHBondContact O-CB 3.32Å; D303-S307 PolarHBondContact O-N 3.11Å; D303-S307 PolarHBondContact O-OG 3.34Å; D303-K316 IonicContact OD2-NZ 3.51Å; D303-K316 PolarHBondContact OD2-NZ 3.42Å
304M95.3Very high95.5Very high9 Ų946.8 Ų46.84%0.04424%0.239CC..Hα-helixtrans-65.8-44-179177.8-156.768.300110.8K276 Q279 L280 R300 K301 A302 S307 L308K276-M304 HydrophobicContact CG-CE 4.05Å; Q279-M304 HydrophobicContact CB-SD 3.79Å; Q279-M304 HydrophobicContact CG-CG 4.27Å; Q279-M304 HydrophobicContact CG-SD 3.45Å; Q279-M304 WeakPolarHBondContact CG-SD 3.45Å; L280-M304 HydrophobicContact CD1-CE 4.38Å; L280-M304 HydrophobicContact CD2-CE 3.92Å; L280-M304 HydrophobicContact CG-CE 4.04Å; R300-M304 VanDerWaalsContact O-CB 3.23Å; R300-M304 WeakPolarHBondContact O-CB 3.38Å; R300-M304 PolarHBondContact O-N 2.83Å; R300-M304 VanDerWaalsContact O-N 3.11Å; K301-M304 PolarHBondContact O-N 2.74Å; A302-M304 PolarHBondContact O-N 3.12Å; M304-S307 PolarHBondContact O-N 2.79Å; M304-L308 HydrophobicContact CE-CD1 4.32Å; M304-L308 HydrophobicContact CG-CD1 3.96Å; M304-L308 HydrophobicContact CG-CG 4.35Å; M304-L308 WeakPolarHBondContact O-CB 3.43Å; M304-L308 WeakPolarHBondContact O-CG 3.45Å; M304-L308 PolarHBondContact O-N 2.94Å; M304-L308 HydrophobicContact SD-CD1 4.36Å
305M94.9Very high95.5Very high16 Ų1644.9 Ų44.98%0.07923%0.233CC..Hα-helixtrans-66.4-38.7-179.4-71.4-63.2-61.200112I6 K276 K301 A302 A309I6-M305 HydrophobicContact CD1-CE 3.32Å; I6-M305 HydrophobicContact CG1-CE 3.76Å; I6-M305 HydrophobicContact CG2-CE 4.39Å; K276-M305 HydrophobicContact CD-SD 3.9Å; K276-M305 WeakPolarHBondContact CE-SD 3.22Å; K301-M305 HydrophobicContact CG-CG 4.48Å; K301-M305 WeakPolarHBondContact O-CB 3.27Å; K301-M305 WeakPolarHBondContact O-CG 3.39Å; K301-M305 PolarHBondContact O-N 3.41Å; A302-M305 PolarHBondContact O-N 3.48Å; M305-A309 WeakPolarHBondContact O-CB 3.39Å; M305-A309 PolarHBondContact O-N 3.49Å
306E94.4Very high95.6Very high86 Ų8647.5 Ų47.540%0.40224%0.237SC..Hα-helixtrans-63.6-49171.6-177.9172.7-152.700111.3K18 A302 L308 A309 I310K18-E306 WeakPolarHBondContact CE-OE1 3.39Å; K18-E306 IonicContact NZ-OE1 3.19Å; A302-E306 PolarHBondContact O-N 3.39Å; E306-L308 VanDerWaalsContact C-N 3.27Å; E306-L308 PolarHBondContact O-N 2.9Å; E306-A309 PolarHBondContact O-N 3.07Å; E306-A309 VanDerWaalsContact O-N 3.09Å; E306-I310 HydrophobicContact CG-CD1 3.63Å; E306-I310 HydrophobicContact CG-CG1 4.34Å; E306-I310 WeakPolarHBondContact O-CG1 3.29Å; E306-I310 PolarHBondContact O-N 3.28Å
307S95.1Very high95.7Very high27 Ų2746 Ų4619%0.18923%0.23CC..Hα-helixtrans-60.7-35.2179.4-53.80000112.7D303 M304 G311 I312 D314D303-S307 WeakPolarHBondContact O-CB 3.32Å; D303-S307 PolarHBondContact O-N 3.11Å; D303-S307 PolarHBondContact O-OG 3.34Å; M304-S307 PolarHBondContact O-N 2.79Å; S307-G311 PolarHBondContact O-N 3.18Å; S307-I312 PolarHBondContact O-N 2.98Å; S307-D314 WeakPolarHBondContact OG-CB 3.5Å
308L94.8Very high95.8Very high21 Ų2148.5 Ų48.511%0.1124%0.241CC..Hα-helixtrans-70.2-41.1173.8-72.7176.1000112.4Y275 K276 M304 E306 G311 P391Y275-L308 HydrophobicContact CD1-CD2 4.12Å; Y275-L308 HydrophobicContact CE1-CD2 4.42Å; K276-L308 HydrophobicContact CB-CD1 4.08Å; K276-L308 HydrophobicContact CG-CD1 4.39Å; M304-L308 HydrophobicContact CE-CD1 4.32Å; M304-L308 HydrophobicContact CG-CD1 3.96Å; M304-L308 HydrophobicContact CG-CG 4.35Å; M304-L308 WeakPolarHBondContact O-CB 3.43Å; M304-L308 WeakPolarHBondContact O-CG 3.45Å; M304-L308 PolarHBondContact O-N 2.94Å; M304-L308 HydrophobicContact SD-CD1 4.36Å; E306-L308 VanDerWaalsContact C-N 3.27Å; E306-L308 PolarHBondContact O-N 2.9Å; L308-G311 PolarHBondContact O-N 2.91Å; L308-P391 HydrophobicContact CD2-CB 4.17Å; L308-P391 HydrophobicContact CD2-CG 3.56Å
309A93Very high96Very high10 Ų1046.5 Ų46.58%0.08323%0.232CC..Hα-helixtrans-74.9-25.7-179.100000114L21 M305 E306L21-A309 HydrophobicContact CD1-CB 3.71Å; L21-A309 HydrophobicContact CD2-CB 3.67Å; L21-A309 HydrophobicContact CG-CB 4.28Å; M305-A309 WeakPolarHBondContact O-CB 3.39Å; M305-A309 PolarHBondContact O-N 3.49Å; E306-A309 PolarHBondContact O-N 3.07Å; E306-A309 VanDerWaalsContact O-N 3.09Å
310I95.1Very high96.1Very high84 Ų8442.5 Ų42.543%0.43123%0.225SC..Hα-helixtrans-85.3-22.8171.2-59.2173.7000110.9E306 I312E306-I310 HydrophobicContact CG-CD1 3.63Å; E306-I310 HydrophobicContact CG-CG1 4.34Å; E306-I310 WeakPolarHBondContact O-CG1 3.29Å; E306-I310 PolarHBondContact O-N 3.28Å; I310-I312 HydrophobicContact CG2-CB 4.35Å; I310-I312 HydrophobicContact CG2-CD1 3.71Å; I310-I312 HydrophobicContact CG2-CG1 3.95Å
311G96.5Very high96.1Very high4 Ų439 Ų394%0.04122%0.217CC..THydrogen-bonded Turntrans80.89.6179.600000115.1S307 L308 P388 C389 K392S307-G311 PolarHBondContact O-N 3.18Å; L308-G311 PolarHBondContact O-N 2.91Å; G311-P388 CarbonylContact O-C 3.47Å; G311-P388 VanDerWaalsContact O-CA 3.24Å; G311-P388 WeakPolarHBondContact O-CA 3.35Å; G311-C389 VanDerWaalsContact C-SG 3.56Å; G311-C389 PolarHBondContact O-N 3.04Å; G311-K392 VanDerWaalsContact O-CB 3.27Å; G311-K392 WeakPolarHBondContact O-CB 3.33Å
312I97.9Very high96.2Very high67 Ų6737.3 Ų37.334%0.34421%0.21SC..BIsolated β-bridgetrans-102.7142.7-176.4-64.7175.7000110.1S307 I310S307-I312 PolarHBondContact O-N 2.98Å; I310-I312 HydrophobicContact CG2-CB 4.35Å; I310-I312 HydrophobicContact CG2-CD1 3.71Å; I310-I312 HydrophobicContact CG2-CG1 3.95Å
313D98.2Very high96.4Very high16 Ų1636.1 Ų36.19%0.08620%0.2CC..  trans-68.9135.8177-167-89.3000111.4G315 R363 Q366 V387D313-G315 PolarHBondContact O-N 3.45Å; D313-G315 VanDerWaalsContact O-N 3.1Å; D313-G315 PolarHBondContact OD1-N 3.11Å; D313-R363 IonicContact OD1-NH1 2.7Å; D313-R363 IonicContact OD2-CZ 2.86Å; D313-R363 IonicContact OD2-NH1 3.16Å; D313-R363 PolarHBondContact OD2-NH1 3.38Å; D313-R363 IonicContact OD2-NH2 3.45Å; D313-Q366 PolarHBondContact OD2-NE2 3.09Å; D313-V387 HydrophobicContact CB-CG1 4.39Å; D313-V387 PolarHBondContact N-O 3.18Å
314D96.5Very high96.5Very high56 Ų5637.1 Ų37.130%0.29920%0.203SC..  trans-71.7-4.6-174.582.4-3.1000114.2S307 K316S307-D314 WeakPolarHBondContact OG-CB 3.5Å; D314-K316 HydrophobicContact CB-CG 4.47Å; D314-K316 PolarHBondContact O-N 3.11Å; D314-K316 WeakPolarHBondContact OD1-CB 3.4Å; D314-K316 WeakPolarHBondContact OD1-CG 3.47Å; D314-K316 PolarHBondContact OD1-N 3.11Å; D314-K316 WeakPolarHBondContact OD2-CD 3.48Å; D314-K316 WeakPolarHBondContact OD2-CE 3.1Å; D314-K316 IonicContact OD2-NZ 3.63Å; D314-K316 PolarHBondContact OD2-NZ 2.63Å
315G97.1Very high96.5Very high31 Ų3136.8 Ų36.832%0.3220%0.202SC..  trans70.5-1.7174.900000114.6D313 T317 K318D313-G315 PolarHBondContact O-N 3.45Å; D313-G315 VanDerWaalsContact O-N 3.1Å; D313-G315 PolarHBondContact OD1-N 3.11Å; G315-T317 PolarHBondContact O-N 2.82Å; G315-T317 VanDerWaalsContact O-N 3.09Å; G315-K318 WeakPolarHBondContact O-CB 3.29Å; G315-K318 PolarHBondContact O-N 2.8Å
316K96.9Very high96.5Very high115 Ų11536.1 Ų36.150%0.520%0.198SC..THydrogen-bonded Turntrans-69.7-10.1-175.3-61.4177.4-161.2140.80113.3D303 D314D303-K316 IonicContact OD2-NZ 3.51Å; D303-K316 PolarHBondContact OD2-NZ 3.42Å; D314-K316 HydrophobicContact CB-CG 4.47Å; D314-K316 PolarHBondContact O-N 3.11Å; D314-K316 WeakPolarHBondContact OD1-CB 3.4Å; D314-K316 WeakPolarHBondContact OD1-CG 3.47Å; D314-K316 PolarHBondContact OD1-N 3.11Å; D314-K316 WeakPolarHBondContact OD2-CD 3.48Å; D314-K316 WeakPolarHBondContact OD2-CE 3.1Å; D314-K316 IonicContact OD2-NZ 3.63Å; D314-K316 PolarHBondContact OD2-NZ 2.63Å
317T97.9Very high96.5Very high7 Ų735.7 Ų35.74%0.04320%0.196CC..THydrogen-bonded Turntrans-107.44.5174.664.20000113.5G315 H350G315-T317 PolarHBondContact O-N 2.82Å; G315-T317 VanDerWaalsContact O-N 3.09Å; T317-H350 WeakPolarHBondContact CB-O 3.38Å; T317-H350 WeakPolarHBondContact CG2-O 3.43Å; T317-H350 PolarHBondContact O-CD2 3.22Å; T317-H350 VanDerWaalsContact O-CD2 3.28Å; T317-H350 PolarHBondContact O-N 2.77Å; T317-H350 PolarHBondContact OG1-O 3.41Å
318K98.4Very high96.5Very high80 Ų8040.4 Ų40.435%0.34821%0.21SC..EExtended strand (participates in β ladder)trans-83.2147.9-174.4-157176.684.2150.50112.2G315 S320 D347 H348 F349G315-K318 WeakPolarHBondContact O-CB 3.29Å; G315-K318 PolarHBondContact O-N 2.8Å; K318-S320 WeakPolarHBondContact CE-OG 3.44Å; K318-D347 HydrophobicContact CD-CB 3.92Å; K318-D347 WeakPolarHBondContact CD-OD2 3.37Å; K318-D347 VanDerWaalsContact CE-OD2 3.29Å; K318-D347 WeakPolarHBondContact CE-OD2 3.11Å; K318-D347 HydrophobicContact CG-CB 3.9Å; K318-D347 IonicContact NZ-OD1 2.79Å; K318-D347 IonicContact NZ-OD2 2.75Å; K318-D347 PolarHBondContact NZ-OD2 2.81Å; K318-H348 CarbonylContact C-O 3.56Å; K318-H348 VanDerWaalsContact CA-O 3.25Å; K318-H348 WeakPolarHBondContact CA-O 3.08Å; K318-F349 HydrophobicContact CB-CD1 4.26Å; K318-F349 HydrophobicContact CB-CE1 4.01Å; K318-F349 HydrophobicContact CB-CZ 4.36Å; K318-F349 HydrophobicContact CD-CE1 3.84Å; K318-F349 HydrophobicContact CD-CE2 3.96Å; K318-F349 HydrophobicContact CD-CZ 3.39Å; K318-F349 HydrophobicContact CG-CD1 4.2Å; K318-F349 HydrophobicContact CG-CD2 4.33Å; K318-F349 HydrophobicContact CG-CE1 3.77Å; K318-F349 HydrophobicContact CG-CE2 3.92Å; K318-F349 HydrophobicContact CG-CG 4.47Å; K318-F349 HydrophobicContact CG-CZ 3.62Å
319T98.4Very high96.4Very high2 Ų240.9 Ų40.91%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-140.1114.7165.8-640000110.5I322 H348 S517 M520 Q521 L524T319-I322 HydrophobicContact CG2-CD1 3.86Å; T319-I322 HydrophobicContact CG2-CG1 4.07Å; T319-I322 WeakPolarHBondContact O-CD1 3.38Å; T319-H348 PolarHBondContact N-O 3.24Å; T319-H348 PolarHBondContact O-N 3.17Å; T319-S517 WeakPolarHBondContact OG1-CB 3.36Å; T319-S517 PolarHBondContact OG1-OG 3.2Å; T319-M520 HydrophobicContact CG2-CB 4.03Å; T319-Q521 HydrophobicContact CG2-CG 4.44Å; T319-L524 HydrophobicContact CG2-CD1 3.99Å
320S98.1Very high96.5Very high51 Ų5140.4 Ų40.436%0.35721%0.206SC..  trans-94.6169-178.6-55.90000112.9K318 I322 D347 L524K318-S320 WeakPolarHBondContact CE-OG 3.44Å; S320-I322 PolarHBondContact O-N 3.28Å; S320-D347 VanDerWaalsContact CA-OD1 3.25Å; S320-D347 WeakPolarHBondContact CA-OD1 3.27Å; S320-D347 WeakPolarHBondContact CB-OD1 3.37Å; S320-D347 PolarHBondContact OG-OD1 2.84Å; S320-L524 WeakPolarHBondContact O-CD1 3.42Å
321G97.1Very high96.3Very high20 Ų2041.4 Ų41.421%0.20621%0.209CC..  trans80.29.1167.300000116.4E324 A325 L524G321-E324 VanDerWaalsContact CA-OE2 3.25Å; G321-E324 WeakPolarHBondContact CA-OE2 3.39Å; G321-A325 WeakPolarHBondContact O-CB 3.16Å; G321-A325 PolarHBondContact O-N 3.28Å; G321-L524 WeakPolarHBondContact O-CD2 3.3Å
322I97Very high96Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-75.8-37.3-172.5-57.8158000111.6T319 S320 E324 A325 L326 H348 F511 M520 L523 L524T319-I322 HydrophobicContact CG2-CD1 3.86Å; T319-I322 HydrophobicContact CG2-CG1 4.07Å; T319-I322 WeakPolarHBondContact O-CD1 3.38Å; S320-I322 PolarHBondContact O-N 3.28Å; I322-E324 VanDerWaalsContact C-N 3.29Å; I322-E324 PolarHBondContact O-N 3.24Å; I322-A325 PolarHBondContact O-N 3.16Å; I322-L326 HydrophobicContact CG2-CD1 4.02Å; I322-L326 HydrophobicContact CG2-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.35Å; I322-L326 VanDerWaalsContact O-CG 3.29Å; I322-L326 WeakPolarHBondContact O-CG 3.44Å; I322-L326 PolarHBondContact O-N 3.22Å; I322-H348 HydrophobicContact CD1-CB 3.55Å; I322-F511 HydrophobicContact CB-CE1 4.5Å; I322-F511 HydrophobicContact CB-CZ 3.85Å; I322-F511 HydrophobicContact CD1-CE1 4.32Å; I322-F511 HydrophobicContact CD1-CE2 4.13Å; I322-F511 HydrophobicContact CD1-CZ 3.68Å; I322-F511 HydrophobicContact CG1-CZ 4.4Å; I322-F511 HydrophobicContact CG2-CE1 3.79Å; I322-F511 HydrophobicContact CG2-CZ 3.62Å; I322-M520 HydrophobicContact CD1-CE 3.74Å; I322-L523 HydrophobicContact CG2-CB 4.38Å; I322-L523 HydrophobicContact CG2-CD1 3.95Å; I322-L524 HydrophobicContact CB-CD2 4.42Å; I322-L524 HydrophobicContact CG1-CD2 3.92Å
323I97.4Very high95.5Very high5 Ų547 Ų473%0.02625%0.247CC..Hα-helixtrans-63.8-40.5-179.8-58.4-58.5000110L326 H327 L342 V346 I496I323-L326 PolarHBondContact O-N 3.14Å; I323-H327 WeakPolarHBondContact O-CB 3.36Å; I323-H327 PolarHBondContact O-N 3.4Å; I323-L342 HydrophobicContact CG2-CB 4.23Å; I323-L342 HydrophobicContact CG2-CD1 4.21Å; I323-V346 HydrophobicContact CD1-CB 4.38Å; I323-V346 HydrophobicContact CD1-CG2 4.2Å; I323-V346 HydrophobicContact CG1-CB 4.27Å; I323-V346 HydrophobicContact CG1-CG2 4.27Å; I323-I496 HydrophobicContact CD1-CB 4.01Å; I323-I496 HydrophobicContact CD1-CD1 3.55Å; I323-I496 HydrophobicContact CD1-CG1 4.41Å; I323-I496 HydrophobicContact CD1-CG2 4.49Å
324E96.1Very high94.8Very high72 Ų7246.4 Ų46.434%0.33624%0.243SC..Hα-helixtrans-71.6-33.7178.8-49.795.4113.500111.5G321 I322 R328G321-E324 VanDerWaalsContact CA-OE2 3.25Å; G321-E324 WeakPolarHBondContact CA-OE2 3.39Å; I322-E324 VanDerWaalsContact C-N 3.29Å; I322-E324 PolarHBondContact O-N 3.24Å; E324-R328 WeakPolarHBondContact O-CG 3.42Å; E324-R328 PolarHBondContact O-N 3.1Å; E324-R328 VanDerWaalsContact O-N 3.11Å; E324-R328 PolarHBondContact O-NH1 2.97Å
325A95.3Very high94.1Very high3 Ų349.1 Ų49.13%0.02526%0.262CS..Hα-helixtrans-68.8-41.6171.300000112.1G321 I322 R328 Y329 L523 L524G321-A325 WeakPolarHBondContact O-CB 3.16Å; G321-A325 PolarHBondContact O-N 3.28Å; I322-A325 PolarHBondContact O-N 3.16Å; A325-R328 PolarHBondContact O-N 3.14Å; A325-Y329 PolarHBondContact O-N 2.82Å; A325-L523 VanDerWaalsContact CB-O 3.25Å; A325-L523 WeakPolarHBondContact CB-O 3.37Å; A325-L524 HydrophobicContact CB-CD2 3.99Å
326L95.4Very high93.8Very high2 Ų250.8 Ų50.81%0.0126%0.264CS..Hα-helixtrans-62.5-44.7172.5-70.7169.9000111.2I322 I323 R328 Y329 Y330 L342 I496 L533 L536I322-L326 HydrophobicContact CG2-CD1 4.02Å; I322-L326 HydrophobicContact CG2-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.35Å; I322-L326 VanDerWaalsContact O-CG 3.29Å; I322-L326 WeakPolarHBondContact O-CG 3.44Å; I322-L326 PolarHBondContact O-N 3.22Å; I323-L326 PolarHBondContact O-N 3.14Å; L326-R328 PolarHBondContact O-N 2.79Å; L326-Y329 PolarHBondContact O-N 3.42Å; L326-Y329 VanDerWaalsContact O-N 3.16Å; L326-Y330 HydrophobicContact CB-CD2 4.1Å; L326-Y330 HydrophobicContact CB-CE2 4.04Å; L326-Y330 HydrophobicContact CD2-CE2 4.02Å; L326-Y330 WeakPolarHBondContact O-CB 3.21Å; L326-Y330 WeakPolarHBondContact O-CD2 3.47Å; L326-Y330 PolarHBondContact O-N 3.03Å; L326-L342 HydrophobicContact CB-CD1 4.02Å; L326-I496 HydrophobicContact CD1-CD1 3.48Å; L326-I496 VanDerWaalsContact CD1-CD1 3.48Å; L326-L533 HydrophobicContact CD2-CD2 3.75Å; L326-L536 HydrophobicContact CD1-CD2 3.68Å; L326-L536 HydrophobicContact CD2-CD2 3.62Å; L326-L536 HydrophobicContact CG-CD2 4.31Å
327H95.1Very high93.7Very high76 Ų7645.4 Ų45.435%0.35224%0.241SC..Hα-helixtrans-54-49.3174.2174.8-117.1000111.7I323 Y329 Y330 Q331 L342 C478I323-H327 WeakPolarHBondContact O-CB 3.36Å; I323-H327 PolarHBondContact O-N 3.4Å; H327-Y329 PolarHBondContact O-N 2.64Å; H327-Y330 PolarHBondContact O-N 3.41Å; H327-Q331 WeakPolarHBondContact O-CB 3.38Å; H327-Q331 PolarHBondContact O-N 3.33Å; H327-L342 HydrophobicContact CB-CD1 4.43Å; H327-C478 PolarHBondContact CD2-SG 3.02Å
328R94.1Very high93.5Very high126 Ų12652.2 Ų52.248%0.47527%0.266SS..Hα-helixtrans-59.4-45.8174.8-70.2-176.7-59.7-93.49112.4E324 A325 L326 N332E324-R328 WeakPolarHBondContact O-CG 3.42Å; E324-R328 PolarHBondContact O-N 3.1Å; E324-R328 VanDerWaalsContact O-N 3.11Å; E324-R328 PolarHBondContact O-NH1 2.97Å; A325-R328 PolarHBondContact O-N 3.14Å; L326-R328 PolarHBondContact O-N 2.79Å; R328-N332 WeakPolarHBondContact O-CB 3.4Å; R328-N332 PolarHBondContact O-N 3.03Å; R328-N332 VanDerWaalsContact O-N 3.13Å; R328-N332 PolarHBondContact O-ND2 3.35Å
329Y93.6Very high93.4Very high32 Ų3249.8 Ų49.813%0.12526%0.255CS..Hα-helixtrans-61.6-46.8177.5166.2-98.7000112.3A325 L326 H327 Q331 N332 A333 A334 V528 L533A325-Y329 PolarHBondContact O-N 2.82Å; L326-Y329 PolarHBondContact O-N 3.42Å; L326-Y329 VanDerWaalsContact O-N 3.16Å; H327-Y329 PolarHBondContact O-N 2.64Å; Y329-Q331 PolarHBondContact O-N 2.99Å; Y329-N332 PolarHBondContact O-N 3.3Å; Y329-A333 HydrophobicContact CD2-CB 3.8Å; Y329-A333 HydrophobicContact CE2-CB 3.78Å; Y329-A333 WeakPolarHBondContact O-CA 3.28Å; Y329-A333 PolarHBondContact O-N 3.14Å; Y329-A334 HydrophobicContact CD1-CB 4.49Å; Y329-A334 HydrophobicContact CE1-CB 3.81Å; Y329-A334 PolarHBondContact O-N 3.26Å; Y329-V528 HydrophobicContact CD2-CB 3.98Å; Y329-V528 HydrophobicContact CG-CB 4.36Å; Y329-L533 HydrophobicContact CD1-CD1 3.92Å; Y329-L533 HydrophobicContact CD1-CD2 4.1Å; Y329-L533 HydrophobicContact CD2-CD1 3.95Å; Y329-L533 HydrophobicContact CE1-CD1 3.46Å; Y329-L533 VanDerWaalsContact CE1-CD1 3.46Å; Y329-L533 HydrophobicContact CE1-CD2 4.01Å; Y329-L533 HydrophobicContact CE1-CG 4.39Å; Y329-L533 HydrophobicContact CE2-CD1 3.5Å; Y329-L533 VanDerWaalsContact CE2-CD1 3.5Å; Y329-L533 HydrophobicContact CG-CD1 4.16Å
330Y93.7Very high93.3Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-69.1-35.2-177.6-77.4-62.4000112.5L326 H327 A334 V337 V340 L342 K475 E499 L509L326-Y330 HydrophobicContact CB-CD2 4.1Å; L326-Y330 HydrophobicContact CB-CE2 4.04Å; L326-Y330 HydrophobicContact CD2-CE2 4.02Å; L326-Y330 WeakPolarHBondContact O-CB 3.21Å; L326-Y330 WeakPolarHBondContact O-CD2 3.47Å; L326-Y330 PolarHBondContact O-N 3.03Å; H327-Y330 PolarHBondContact O-N 3.41Å; Y330-A334 HydrophobicContact CD1-CB 3.54Å; Y330-A334 HydrophobicContact CE1-CB 4.12Å; Y330-A334 HydrophobicContact CG-CB 4.49Å; Y330-V337 HydrophobicContact CD1-CG2 4.37Å; Y330-V337 HydrophobicContact CE1-CG2 4.03Å; Y330-V340 HydrophobicContact CD1-CB 4.42Å; Y330-V340 HydrophobicContact CD1-CG1 3.85Å; Y330-V340 HydrophobicContact CD2-CG1 3.99Å; Y330-V340 HydrophobicContact CD2-CG2 4.25Å; Y330-V340 HydrophobicContact CE1-CG1 4.45Å; Y330-V340 HydrophobicContact CE1-CG2 4.42Å; Y330-V340 HydrophobicContact CE2-CG2 4.08Å; Y330-V340 HydrophobicContact CG-CG1 3.63Å; Y330-L342 HydrophobicContact CE2-CD2 4.39Å; Y330-K475 WeakPolarHBondContact O-CE 3.49Å; Y330-K475 PolarHBondContact O-NZ 3.29Å; Y330-E499 HydrophobicContact CE1-CG 4.41Å; Y330-E499 WeakPolarHBondContact CE1-OE1 3.47Å; Y330-E499 VanDerWaalsContact CZ-OE1 3.3Å; Y330-E499 PolarHBondContact OH-OE1 3.15Å; Y330-L509 HydrophobicContact CE2-CD1 3.91Å; Y330-L509 WeakPolarHBondContact OH-CD1 3.2Å; Y330-L509 WeakPolarHBondContact OH-CD2 3.45Å
331Q92.3Very high93.3Very high104 Ų10447.9 Ų47.949%0.48624%0.24SC..Hα-helixtrans-65.7-48.6175.8-170.766.4-600110.6H327 Y329 V476H327-Q331 WeakPolarHBondContact O-CB 3.38Å; H327-Q331 PolarHBondContact O-N 3.33Å; Y329-Q331 PolarHBondContact O-N 2.99Å; Q331-V476 HydrophobicContact CB-CG2 4.44Å
332N89.8Confident93.3Very high136 Ų13646.9 Ų46.973%0.72723%0.23SC*.Hα-helixtrans-94.8-35.6-166.1-61-20.8000115R328 Y329R328-N332 WeakPolarHBondContact O-CB 3.4Å; R328-N332 PolarHBondContact O-N 3.03Å; R328-N332 VanDerWaalsContact O-N 3.13Å; R328-N332 PolarHBondContact O-ND2 3.35Å; Y329-N332 PolarHBondContact O-N 3.3Å
333A86.8Confident93.3Very high54 Ų5447 Ų4745%0.44623%0.231SC..THydrogen-bonded Turntrans-122.5-24.5-163.700000115.6Y329 T335Y329-A333 HydrophobicContact CD2-CB 3.8Å; Y329-A333 HydrophobicContact CE2-CB 3.78Å; Y329-A333 WeakPolarHBondContact O-CA 3.28Å; Y329-A333 PolarHBondContact O-N 3.14Å; A333-T335 PolarHBondContact O-N 3.21Å
334A83.6Confident93.3Very high2 Ų247.5 Ų47.52%0.01724%0.235CC..  trans-72.7108.9-178.700000112.3Y329 Y330 V337 K475Y329-A334 HydrophobicContact CD1-CB 4.49Å; Y329-A334 HydrophobicContact CE1-CB 3.81Å; Y329-A334 PolarHBondContact O-N 3.26Å; Y330-A334 HydrophobicContact CD1-CB 3.54Å; Y330-A334 HydrophobicContact CE1-CB 4.12Å; Y330-A334 HydrophobicContact CG-CB 4.49Å; A334-V337 HydrophobicContact CB-CB 4.39Å; A334-V337 HydrophobicContact CB-CG2 4.34Å; A334-K475 WeakPolarHBondContact O-CE 3.25Å; A334-K475 PolarHBondContact O-NZ 3.08Å
335T81.9Confident93.4Very high113 Ų11346.2 Ų46.269%0.69323%0.232SC*.  trans-100.9-18.1-177.855.30000114.4A333 K502A333-T335 PolarHBondContact O-N 3.21Å; T335-K502 VanDerWaalsContact O-CE 3.24Å; T335-K502 WeakPolarHBondContact O-CE 3.23Å; T335-K502 PolarHBondContact O-NZ 3.34Å
336D91.3Very high93.5Very high66 Ų6646.1 Ų46.135%0.35323%0.231SC..SBendtrans-90.1-20.6-178.167.1-43.8000113.8K501 K502 R537D336-K501 IonicContact OD1-NZ 2.7Å; D336-K501 WeakPolarHBondContact OD2-CD 3.49Å; D336-K501 WeakPolarHBondContact OD2-CE 3.32Å; D336-K501 IonicContact OD2-NZ 2.84Å; D336-K501 PolarHBondContact OD2-NZ 3Å; D336-K502 PolarHBondContact O-N 2.64Å; D336-R537 IonicContact OD1-NH2 3.28Å
337V94.6Very high93.7Very high3 Ų346.8 Ų46.82%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-79.2136.4177.91740000110.9Y330 A334 Q339 V340 E499 K501Y330-V337 HydrophobicContact CD1-CG2 4.37Å; Y330-V337 HydrophobicContact CE1-CG2 4.03Å; A334-V337 HydrophobicContact CB-CB 4.39Å; A334-V337 HydrophobicContact CB-CG2 4.34Å; V337-Q339 VanDerWaalsContact CG1-C 3.48Å; V337-Q339 VanDerWaalsContact CG1-O 3.27Å; V337-Q339 WeakPolarHBondContact CG1-O 3.46Å; V337-V340 HydrophobicContact CG1-CB 4.08Å; V337-V340 HydrophobicContact CG1-CG1 4.4Å; V337-E499 HydrophobicContact CG2-CB 4.24Å; V337-E499 HydrophobicContact CG2-CG 4.49Å; V337-K501 HydrophobicContact CG2-CD 4.14Å
338R94.3Very high93.9Very high149 Ų14943.2 Ų43.256%0.56222%0.218SC*.EExtended strand (participates in β ladder)trans-82.9-55.7167.2-176.7172.890.1157.25.5109.5E500 K502R338-E500 VanDerWaalsContact CZ-CD 3.47Å; R338-E500 IonicContact CZ-OE1 3.92Å; R338-E500 VanDerWaalsContact CZ-OE1 3.28Å; R338-E500 IonicContact CZ-OE2 2.75Å; R338-E500 PolarHBondContact N-O 3.06Å; R338-E500 VanDerWaalsContact NE-CD 3.27Å; R338-E500 IonicContact NE-OE1 2.68Å; R338-E500 IonicContact NE-OE2 3.67Å; R338-E500 PolarHBondContact NE-OE2 3.16Å; R338-E500 IonicContact NH2-OE1 2.71Å; R338-E500 PolarHBondContact NH2-OE1 3.1Å; R338-E500 IonicContact NH2-OE2 3.95Å; R338-E500 PolarHBondContact NH2-OE2 3.44Å; R338-K502 HydrophobicContact CB-CG 4.28Å
339Q95.1Very high94.1Very high29 Ų2937.3 Ų37.314%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-146.7151.9177.8-167166.11000109.8V337 W341 S473 P474 K475 E500V337-Q339 VanDerWaalsContact CG1-C 3.48Å; V337-Q339 VanDerWaalsContact CG1-O 3.27Å; V337-Q339 WeakPolarHBondContact CG1-O 3.46Å; Q339-W341 HydrophobicContact CB-CH2 3.74Å; Q339-W341 HydrophobicContact CB-CZ2 4.07Å; Q339-W341 HydrophobicContact CB-CZ3 4.13Å; Q339-W341 HydrophobicContact CG-CD2 4.35Å; Q339-W341 HydrophobicContact CG-CH2 3.8Å; Q339-W341 HydrophobicContact CG-CZ2 3.59Å; Q339-W341 HydrophobicContact CG-CZ3 4.25Å; Q339-W341 VanDerWaalsContact OE1-CZ2 3.26Å; Q339-S473 PolarHBondContact NE2-OG 3.41Å; Q339-P474 PolarHBondContact NE2-O 2.84Å; Q339-K475 CarbonylContact C-O 3.44Å; Q339-K475 VanDerWaalsContact CA-O 3.31Å; Q339-K475 WeakPolarHBondContact CA-O 3.42Å; Q339-E500 PolarHBondContact N-O 2.94Å; Q339-E500 PolarHBondContact O-N 3.25Å
340V96.6Very high94.3Very high0 Ų037.4 Ų37.40%020%0.197CC..EExtended strand (participates in β ladder)trans-137.8139.7173.659.30000109.4Y330 V337 L342 K475 V476 V477 I498 E499 L509Y330-V340 HydrophobicContact CD1-CB 4.42Å; Y330-V340 HydrophobicContact CD1-CG1 3.85Å; Y330-V340 HydrophobicContact CD2-CG1 3.99Å; Y330-V340 HydrophobicContact CD2-CG2 4.25Å; Y330-V340 HydrophobicContact CE1-CG1 4.45Å; Y330-V340 HydrophobicContact CE1-CG2 4.42Å; Y330-V340 HydrophobicContact CE2-CG2 4.08Å; Y330-V340 HydrophobicContact CG-CG1 3.63Å; V337-V340 HydrophobicContact CG1-CB 4.08Å; V337-V340 HydrophobicContact CG1-CG1 4.4Å; V340-L342 HydrophobicContact CG2-CD2 4Å; V340-L342 HydrophobicContact CG2-CG 4.49Å; V340-K475 PolarHBondContact N-O 2.98Å; V340-V476 HydrophobicContact CG1-CB 4.22Å; V340-V476 HydrophobicContact CG1-CG1 3.83Å; V340-V476 HydrophobicContact CG1-CG2 4.21Å; V340-V477 PolarHBondContact O-N 3.43Å; V340-I498 WeakPolarHBondContact CA-O 3.5Å; V340-I498 WeakPolarHBondContact CG2-O 3.21Å; V340-E499 HydrophobicContact CG2-CG 4.14Å; V340-L509 HydrophobicContact CG2-CD1 4.04Å
341W97.7Very high94.5Very high13 Ų1338.5 Ų38.55%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-116.6129.5173.5-54.2-103.7000108.3Q339 L463 Y466 V477 G497 I498 E500Q339-W341 HydrophobicContact CB-CH2 3.74Å; Q339-W341 HydrophobicContact CB-CZ2 4.07Å; Q339-W341 HydrophobicContact CB-CZ3 4.13Å; Q339-W341 HydrophobicContact CG-CD2 4.35Å; Q339-W341 HydrophobicContact CG-CH2 3.8Å; Q339-W341 HydrophobicContact CG-CZ2 3.59Å; Q339-W341 HydrophobicContact CG-CZ3 4.25Å; Q339-W341 VanDerWaalsContact OE1-CZ2 3.26Å; W341-L463 HydrophobicContact CE3-CD1 3.99Å; W341-L463 HydrophobicContact CH2-CD1 3.86Å; W341-L463 HydrophobicContact CZ2-CD1 4.49Å; W341-L463 HydrophobicContact CZ3-CD1 3.57Å; W341-Y466 HydrophobicContact CB-CG 4.39Å; W341-V477 CarbonylContact C-O 3.54Å; W341-V477 WeakPolarHBondContact CA-O 3.47Å; W341-V477 HydrophobicContact CG-CB 4.27Å; W341-G497 CarbonylContact O-C 3.45Å; W341-G497 WeakPolarHBondContact O-CA 3.37Å; W341-I498 HydrophobicContact CB-CG2 4.43Å; W341-I498 HydrophobicContact CE3-CG2 3.99Å; W341-I498 PolarHBondContact N-O 2.94Å; W341-I498 PolarHBondContact O-N 3.12Å; W341-E500 HydrophobicContact CH2-CB 4.18Å; W341-E500 HydrophobicContact CZ3-CB 3.85Å
342L97.9Very high94.8Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-111.6152.1176.3-56.5178.7000109.2I323 L326 H327 Y330 V340 V477 T479 I496 L509I323-L342 HydrophobicContact CG2-CB 4.23Å; I323-L342 HydrophobicContact CG2-CD1 4.21Å; L326-L342 HydrophobicContact CB-CD1 4.02Å; H327-L342 HydrophobicContact CB-CD1 4.43Å; Y330-L342 HydrophobicContact CE2-CD2 4.39Å; V340-L342 HydrophobicContact CG2-CD2 4Å; V340-L342 HydrophobicContact CG2-CG 4.49Å; L342-V477 PolarHBondContact N-O 3.4Å; L342-T479 WeakPolarHBondContact O-CB 3.19Å; L342-T479 PolarHBondContact O-N 3.13Å; L342-T479 PolarHBondContact O-OG1 3Å; L342-I496 WeakPolarHBondContact CA-O 3.19Å; L342-L509 HydrophobicContact CD2-CD1 3.57Å
343S97.8Very high95.1Very high1 Ų130.6 Ų30.61%0.00717%0.167CC..  trans-63.5175.7168.162.10000112.2V346 T479 K481 I496S343-V346 VanDerWaalsContact OG-CG2 3.26Å; S343-V346 WeakPolarHBondContact OG-CG2 3.15Å; S343-T479 CarbonylContact C-O 3.57Å; S343-K481 CarbonylContact C-O 3.42Å; S343-K481 VanDerWaalsContact CA-O 3.25Å; S343-K481 WeakPolarHBondContact CA-O 3.22Å; S343-K481 VanDerWaalsContact CB-O 3.26Å; S343-K481 WeakPolarHBondContact CB-O 3.4Å; S343-I496 PolarHBondContact N-O 3.11Å; S343-I496 PolarHBondContact OG-O 2.72Å
344S96.4Very high95.6Very high17 Ų1728 Ų2812%0.11915%0.146CC..SBendtrans-54.9169.6155.644.90000111.2V346 S371 T479 K481S344-V346 VanDerWaalsContact O-CG2 3.25Å; S344-V346 WeakPolarHBondContact O-CG2 3.42Å; S344-V346 PolarHBondContact O-N 3.02Å; S344-S371 PolarHBondContact OG-OG 3.49Å; S344-T479 VanDerWaalsContact CA-O 3.3Å; S344-T479 WeakPolarHBondContact CA-O 3.44Å; S344-T479 PolarHBondContact N-O 3.16Å; S344-K481 PolarHBondContact N-O 3.34Å; S344-K481 PolarHBondContact OG-O 3.44Å; S344-K481 VanDerWaalsContact OG-O 3.13Å
345V97.9Very high96.3Very high45 Ų4527.9 Ų27.927%0.27315%0.145SC..  trans-54.9137.5-178.2-175.20000110.8S371V345-S371 VanDerWaalsContact O-CA 3.3Å; V345-S371 WeakPolarHBondContact O-CA 3.31Å; V345-S371 WeakPolarHBondContact O-CB 3.39Å; V345-S371 PolarHBondContact O-OG 2.95Å
346V98.4Very high97Very high0 Ų029.5 Ų29.50%014%0.142CC..  trans-134.3124.2-179.3-170.50000109I323 S343 S344 M367 P483 I496 F511I323-V346 HydrophobicContact CD1-CB 4.38Å; I323-V346 HydrophobicContact CD1-CG2 4.2Å; I323-V346 HydrophobicContact CG1-CB 4.27Å; I323-V346 HydrophobicContact CG1-CG2 4.27Å; S343-V346 VanDerWaalsContact OG-CG2 3.26Å; S343-V346 WeakPolarHBondContact OG-CG2 3.15Å; S344-V346 VanDerWaalsContact O-CG2 3.25Å; S344-V346 WeakPolarHBondContact O-CG2 3.42Å; S344-V346 PolarHBondContact O-N 3.02Å; V346-M367 HydrophobicContact CG1-CB 4.13Å; V346-P483 HydrophobicContact CG1-CG 4.27Å; V346-P483 HydrophobicContact CG2-CB 4.06Å; V346-P483 HydrophobicContact CG2-CG 3.74Å; V346-I496 HydrophobicContact CB-CG2 4.37Å; V346-I496 HydrophobicContact CG1-CG2 4.34Å; V346-I496 HydrophobicContact CG2-CG2 4.09Å; V346-F511 HydrophobicContact CB-CE2 4.12Å; V346-F511 HydrophobicContact CG1-CD2 4.19Å; V346-F511 HydrophobicContact CG1-CE2 3.97Å
347D98.6Very high97.3Very high17 Ų1729.4 Ų29.49%0.09116%0.157CC..  trans-78128.3163.1-78.9-29.6000109.1K318 S320 F349 M367 S370K318-D347 HydrophobicContact CD-CB 3.92Å; K318-D347 WeakPolarHBondContact CD-OD2 3.37Å; K318-D347 VanDerWaalsContact CE-OD2 3.29Å; K318-D347 WeakPolarHBondContact CE-OD2 3.11Å; K318-D347 HydrophobicContact CG-CB 3.9Å; K318-D347 IonicContact NZ-OD1 2.79Å; K318-D347 IonicContact NZ-OD2 2.75Å; K318-D347 PolarHBondContact NZ-OD2 2.81Å; S320-D347 VanDerWaalsContact CA-OD1 3.25Å; S320-D347 WeakPolarHBondContact CA-OD1 3.27Å; S320-D347 WeakPolarHBondContact CB-OD1 3.37Å; S320-D347 PolarHBondContact OG-OD1 2.84Å; D347-F349 HydrophobicContact CB-CD2 4.27Å; D347-F349 HydrophobicContact CB-CE2 3.71Å; D347-F349 HydrophobicContact CB-CZ 4.5Å; D347-M367 WeakPolarHBondContact O-CG 3.32Å; D347-S370 PolarHBondContact N-OG 3.03Å
348H98.7Very high97.4Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-78138.9169.8173.3-97.4000110.3K318 T319 I322 M367 F511 D512 C515 M520K318-H348 CarbonylContact C-O 3.56Å; K318-H348 VanDerWaalsContact CA-O 3.25Å; K318-H348 WeakPolarHBondContact CA-O 3.08Å; T319-H348 PolarHBondContact N-O 3.24Å; T319-H348 PolarHBondContact O-N 3.17Å; I322-H348 HydrophobicContact CD1-CB 3.55Å; H348-M367 HydrophobicContact CB-SD 4.35Å; H348-M367 PolarHBondContact CD2-SD 2.84Å; H348-F511 HydrophobicContact CB-CD2 3.94Å; H348-F511 HydrophobicContact CB-CE2 3.87Å; H348-F511 AromaticContact CD2-CD2 3.94Å; H348-F511 AromaticContact CD2-CG 3.97Å; H348-D512 PolarHBondContact NE2-O 3.36Å; H348-C515 PolarHBondContact CE1-O 3.44Å; H348-C515 VanDerWaalsContact CE1-O 3.25Å; H348-M520 HydrophobicContact CB-CE 4.23Å
349F98.8Very high97.6Very high3 Ų322.7 Ų22.71%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-128.4135.9173.5-73.6-97.3000109.7K318 D347 Q366 M367 V387K318-F349 HydrophobicContact CB-CD1 4.26Å; K318-F349 HydrophobicContact CB-CE1 4.01Å; K318-F349 HydrophobicContact CB-CZ 4.36Å; K318-F349 HydrophobicContact CD-CE1 3.84Å; K318-F349 HydrophobicContact CD-CE2 3.96Å; K318-F349 HydrophobicContact CD-CZ 3.39Å; K318-F349 HydrophobicContact CG-CD1 4.2Å; K318-F349 HydrophobicContact CG-CD2 4.33Å; K318-F349 HydrophobicContact CG-CE1 3.77Å; K318-F349 HydrophobicContact CG-CE2 3.92Å; K318-F349 HydrophobicContact CG-CG 4.47Å; K318-F349 HydrophobicContact CG-CZ 3.62Å; D347-F349 HydrophobicContact CB-CD2 4.27Å; D347-F349 HydrophobicContact CB-CE2 3.71Å; D347-F349 HydrophobicContact CB-CZ 4.5Å; F349-Q366 HydrophobicContact CB-CB 4.39Å; F349-Q366 HydrophobicContact CD1-CB 4.44Å; F349-Q366 HydrophobicContact CD2-CB 3.93Å; F349-Q366 HydrophobicContact CE2-CB 4.27Å; F349-Q366 HydrophobicContact CG-CB 4.02Å; F349-M367 HydrophobicContact CB-CG 4.09Å; F349-M367 HydrophobicContact CD2-CG 4.07Å; F349-V387 HydrophobicContact CE1-CG1 4.17Å; F349-V387 HydrophobicContact CE2-CG1 4.27Å; F349-V387 HydrophobicContact CZ-CB 4.23Å; F349-V387 HydrophobicContact CZ-CG1 3.76Å; F349-V387 HydrophobicContact CZ-CG2 4.17Å
350H98.4Very high97.8Very high33 Ų3322.1 Ų22.115%0.15313%0.13CC..  trans-117.1165.4175.677.876.2000113.2T317 S352 R363 P513 C515 S517T317-H350 WeakPolarHBondContact CB-O 3.38Å; T317-H350 WeakPolarHBondContact CG2-O 3.43Å; T317-H350 PolarHBondContact O-CD2 3.22Å; T317-H350 VanDerWaalsContact O-CD2 3.28Å; T317-H350 PolarHBondContact O-N 2.77Å; T317-H350 PolarHBondContact OG1-O 3.41Å; H350-S352 PolarHBondContact O-N 3.03Å; H350-R363 PolarHBondContact O-NE 2.71Å; H350-P513 CarbonylContact C-O 3.53Å; H350-P513 VanDerWaalsContact CA-O 3.25Å; H350-P513 WeakPolarHBondContact CA-O 3.49Å; H350-P513 WeakPolarHBondContact CB-O 3.46Å; H350-C515 WeakPolarHBondContact CB-O 3.3Å; H350-S517 PolarHBondContact CD2-N 2.96Å; H350-S517 PolarHBondContact CD2-OG 2.89Å; H350-S517 PolarHBondContact NE2-N 3.24Å; H350-S517 PolarHBondContact NE2-OG 3.08Å
351S98.1Very high97.9Very high23 Ų2322.1 Ų22.116%0.16113%0.13CC..  trans-66.6132.3177-72.80000113.3D355 P513S351-D355 WeakPolarHBondContact CA-OD2 3.42Å; S351-D355 WeakPolarHBondContact CB-OD2 3.16Å; S351-D355 PolarHBondContact OG-OD2 3.34Å; S351-P513 PolarHBondContact N-O 3.24Å
352S97.4Very high98Very high16 Ų1621.5 Ų21.511%0.11213%0.128CC..  trans-74.7-173.7168.173.20000110.9Y275 H350 G354 D355 K356Y275-S352 VanDerWaalsContact CE2-OG 3.27Å; Y275-S352 WeakPolarHBondContact CE2-OG 3.22Å; Y275-S352 PolarHBondContact OH-OG 2.89Å; Y275-S352 VanDerWaalsContact OH-OG 3.11Å; H350-S352 PolarHBondContact O-N 3.03Å; S352-G354 VanDerWaalsContact C-N 3.28Å; S352-G354 PolarHBondContact O-N 3.48Å; S352-G354 PolarHBondContact OG-N 3.22Å; S352-G354 VanDerWaalsContact OG-N 3.11Å; S352-D355 WeakPolarHBondContact CB-OD1 3.49Å; S352-D355 PolarHBondContact N-OD1 3.36Å; S352-D355 PolarHBondContact OG-N 3.39Å; S352-D355 PolarHBondContact OG-OD1 3.15Å; S352-K356 VanDerWaalsContact O-CB 3.22Å; S352-K356 WeakPolarHBondContact O-CB 3.31Å; S352-K356 PolarHBondContact O-N 2.68Å; S352-K356 VanDerWaalsContact O-N 3.14Å
353L97.2Very high98Very high58 Ų5821.5 Ų21.530%0.30413%0.128SC..THydrogen-bonded Turntrans-67.5-30.9171.3-59.4177.1000112Q278 N282 M283Q278-L353 WeakPolarHBondContact CG-O 3.4Å; Q278-L353 PolarHBondContact NE2-O 3.34Å; Q278-L353 VanDerWaalsContact NE2-O 3.09Å; N282-L353 HydrophobicContact CB-CB 3.78Å; N282-L353 HydrophobicContact CB-CD1 4.27Å; N282-L353 HydrophobicContact CB-CG 4.44Å; N282-L353 PolarHBondContact ND2-O 3.05Å; M283-L353 HydrophobicContact CG-CD1 3.82Å
354G97.6Very high98.1Very high0 Ų021.5 Ų21.50%013%0.128CC..THydrogen-bonded Turntrans-69.7-37.1-179.400000114.8Q278 S352 W358Q278-G354 WeakPolarHBondContact CB-O 3.48Å; Q278-G354 WeakPolarHBondContact CG-O 3.41Å; Q278-G354 PolarHBondContact NE2-O 3.49Å; Q278-G354 VanDerWaalsContact NE2-O 3.12Å; S352-G354 VanDerWaalsContact C-N 3.28Å; S352-G354 PolarHBondContact O-N 3.48Å; S352-G354 PolarHBondContact OG-N 3.22Å; S352-G354 VanDerWaalsContact OG-N 3.11Å; G354-W358 WeakPolarHBondContact O-CZ2 3.13Å; G354-W358 PolarHBondContact O-NE1 3.33Å; G354-W358 VanDerWaalsContact O-NE1 3.11Å
355D98.3Very high98.2Very high0 Ų020.7 Ų20.70%012%0.122CC..THydrogen-bonded Turntrans-109.1-4.8-175.971.9-74000115.1Y275 S351 S352 G357 W358 G359 R363 I390Y275-D355 HydrophobicContact CD2-CB 3.9Å; Y275-D355 HydrophobicContact CE2-CB 3.92Å; S351-D355 WeakPolarHBondContact CA-OD2 3.42Å; S351-D355 WeakPolarHBondContact CB-OD2 3.16Å; S351-D355 PolarHBondContact OG-OD2 3.34Å; S352-D355 WeakPolarHBondContact CB-OD1 3.49Å; S352-D355 PolarHBondContact N-OD1 3.36Å; S352-D355 PolarHBondContact OG-N 3.39Å; S352-D355 PolarHBondContact OG-OD1 3.15Å; D355-G357 PolarHBondContact O-N 3.5Å; D355-W358 HydrophobicContact CB-CH2 4.45Å; D355-W358 HydrophobicContact CB-CZ2 4.08Å; D355-W358 PolarHBondContact O-N 3.32Å; D355-W358 VanDerWaalsContact O-N 3.11Å; D355-G359 PolarHBondContact O-N 3.35Å; D355-R363 IonicContact OD1-CZ 3.84Å; D355-R363 IonicContact OD1-NE 3.19Å; D355-R363 PolarHBondContact OD1-NE 2.85Å; D355-R363 IonicContact OD1-NH2 2.68Å; D355-R363 PolarHBondContact OD1-NH2 3.16Å; D355-R363 WeakPolarHBondContact OD2-CG 3.44Å; D355-R363 IonicContact OD2-CZ 2.7Å; D355-R363 IonicContact OD2-NE 3.86Å; D355-R363 PolarHBondContact OD2-NE 3.2Å; D355-R363 IonicContact OD2-NH2 3.63Å; D355-I390 HydrophobicContact CB-CG1 4.26Å
356K96.9Very high98.2Very high146 Ų14618.5 Ų18.564%0.63511%0.109SC*.THydrogen-bonded Turntrans-55.7125.9177.2-178176.1-178-177.10111.7Q278 S352Q278-K356 PolarHBondContact NE2-O 2.9Å; S352-K356 VanDerWaalsContact O-CB 3.22Å; S352-K356 WeakPolarHBondContact O-CB 3.31Å; S352-K356 PolarHBondContact O-N 2.68Å; S352-K356 VanDerWaalsContact O-N 3.14Å
357G96.4Very high98.2Very high64 Ų6418.5 Ų18.566%0.6611%0.109SC*.THydrogen-bonded Turntrans98.2-8.418000000114.9D355D355-G357 PolarHBondContact O-N 3.5Å
358W97.9Very high98.3Very high12 Ų1217.7 Ų17.75%0.04511%0.105CC..THydrogen-bonded Turntrans-147.8-26.1-17960.9-88.7000114.8Y275 G354 D355 C360 Y362 I390 K421Y275-W358 HydrophobicContact CD2-CZ2 4.38Å; G354-W358 WeakPolarHBondContact O-CZ2 3.13Å; G354-W358 PolarHBondContact O-NE1 3.33Å; G354-W358 VanDerWaalsContact O-NE1 3.11Å; D355-W358 HydrophobicContact CB-CH2 4.45Å; D355-W358 HydrophobicContact CB-CZ2 4.08Å; D355-W358 PolarHBondContact O-N 3.32Å; D355-W358 VanDerWaalsContact O-N 3.11Å; W358-C360 PolarHBondContact O-N 2.75Å; W358-Y362 HydrophobicContact CE3-CD2 4.33Å; W358-Y362 AromaticContact CE3-CE2 3.8Å; W358-Y362 HydrophobicContact CE3-CE2 3.8Å; W358-Y362 HydrophobicContact CZ3-CD2 4.19Å; W358-Y362 AromaticContact CZ3-CE2 3.68Å; W358-Y362 HydrophobicContact CZ3-CE2 3.68Å; W358-I390 HydrophobicContact CH2-CG2 3.77Å; W358-I390 HydrophobicContact CZ3-CG2 3.89Å; W358-K421 HydrophobicContact CB-CB 4.35Å; W358-K421 WeakPolarHBondContact CB-O 3.31Å; W358-K421 HydrophobicContact CD2-CB 3.66Å; W358-K421 HydrophobicContact CD2-CG 4.12Å; W358-K421 HydrophobicContact CE3-CB 4.16Å; W358-K421 HydrophobicContact CG-CB 3.75Å; W358-K421 HydrophobicContact CG-CG 4.34Å; W358-K421 HydrophobicContact CZ2-CB 4.41Å; W358-K421 HydrophobicContact CZ2-CG 4.07Å
359G98.4Very high98.3Very high0 Ų017.7 Ų17.70%011%0.105CC..THydrogen-bonded Turntrans-66.52-172.500000117.7D355 G361 Y362 R363D355-G359 PolarHBondContact O-N 3.35Å; G359-G361 PolarHBondContact O-N 3.16Å; G359-Y362 WeakPolarHBondContact O-CB 3.4Å; G359-Y362 PolarHBondContact O-N 3.23Å; G359-R363 WeakPolarHBondContact O-CG 3.15Å; G359-R363 PolarHBondContact O-N 3.32Å
360C98.6Very high98.3Very high16 Ų1617.7 Ų17.711%0.10811%0.105CC..Hα-helixtrans-53.4-54.4-168.560.80000113.4W358 Y362 R363 N364 H491 P513W358-C360 PolarHBondContact O-N 2.75Å; C360-Y362 PolarHBondContact O-N 3.18Å; C360-R363 PolarHBondContact O-N 3.12Å; C360-N364 PolarHBondContact O-N 2.95Å; C360-N364 PolarHBondContact O-ND2 3.42Å; C360-H491 VanDerWaalsContact CB-ND1 3.34Å; C360-H491 WeakPolarHBondContact CB-ND1 3.35Å; C360-P513 HydrophobicContact CB-CG 3.99Å
361G98.8Very high98.3Very high1 Ų116.1 Ų16.11%0.0110%0.098CC..Hα-helixtrans-57.3-45.818000000113.2G359 R363 N364 F365 Y485 S492G359-G361 PolarHBondContact O-N 3.16Å; G361-R363 PolarHBondContact O-N 3.22Å; G361-N364 PolarHBondContact O-N 2.61Å; G361-F365 PolarHBondContact O-N 3.44Å; G361-Y485 VanDerWaalsContact CA-OH 3.28Å; G361-Y485 WeakPolarHBondContact CA-OH 3.25Å; G361-S492 VanDerWaalsContact CA-OG 3.29Å; G361-S492 WeakPolarHBondContact CA-OG 3.13Å; G361-S492 PolarHBondContact N-OG 3.14Å
362Y98.9Very high98.3Very high0 Ų015.1 Ų15.10%09%0.09CC..Hα-helixtrans-60.5-44.1176.3-51-93.6000112.4W358 G359 C360 F365 Q366 I390 I393 Q394 I397 A422 I424W358-Y362 HydrophobicContact CE3-CD2 4.33Å; W358-Y362 AromaticContact CE3-CE2 3.8Å; W358-Y362 HydrophobicContact CE3-CE2 3.8Å; W358-Y362 HydrophobicContact CZ3-CD2 4.19Å; W358-Y362 AromaticContact CZ3-CE2 3.68Å; W358-Y362 HydrophobicContact CZ3-CE2 3.68Å; G359-Y362 WeakPolarHBondContact O-CB 3.4Å; G359-Y362 PolarHBondContact O-N 3.23Å; C360-Y362 PolarHBondContact O-N 3.18Å; Y362-F365 WeakPolarHBondContact O-CB 3.23Å; Y362-F365 PolarHBondContact O-N 2.88Å; Y362-Q366 WeakPolarHBondContact O-CG 3.49Å; Y362-Q366 PolarHBondContact O-N 3.35Å; Y362-I390 HydrophobicContact CD1-CG2 4.01Å; Y362-I390 HydrophobicContact CD2-CG2 4.29Å; Y362-I390 HydrophobicContact CG-CG2 3.87Å; Y362-I393 HydrophobicContact CD1-CB 4.06Å; Y362-I393 HydrophobicContact CD1-CG2 3.69Å; Y362-I393 HydrophobicContact CE1-CG2 4.4Å; Y362-Q394 HydrophobicContact CD1-CG 4.35Å; Y362-Q394 HydrophobicContact CE1-CG 3.48Å; Y362-Q394 VanDerWaalsContact CE1-CG 3.48Å; Y362-Q394 PolarHBondContact OH-NE2 3.3Å; Y362-I397 HydrophobicContact CE1-CD1 4.42Å; Y362-A422 VanDerWaalsContact CE2-O 3.32Å; Y362-A422 WeakPolarHBondContact CE2-O 3.39Å; Y362-A422 PolarHBondContact OH-O 2.85Å; Y362-I424 HydrophobicContact CD1-CD1 3.73Å; Y362-I424 HydrophobicContact CD2-CD1 4.13Å; Y362-I424 HydrophobicContact CD2-CG1 4.12Å; Y362-I424 HydrophobicContact CE1-CD1 3.81Å; Y362-I424 HydrophobicContact CE1-CG1 4.39Å; Y362-I424 HydrophobicContact CE1-CG2 4.19Å; Y362-I424 HydrophobicContact CE2-CD1 4.2Å; Y362-I424 HydrophobicContact CE2-CG1 3.98Å; Y362-I424 HydrophobicContact CE2-CG2 4.2Å; Y362-I424 HydrophobicContact CG-CD1 3.91Å; Y362-I424 HydrophobicContact CG-CG1 4.42Å
363R98.8Very high98.3Very high0 Ų016.7 Ų16.70%010%0.098CC..Hα-helixtrans-67.5-37.1176.9-66-62.8178.9-171.1-1.4112.3D313 H350 D355 G359 C360 G361 Q366 M367 I390 P513D313-R363 IonicContact OD1-NH1 2.7Å; D313-R363 IonicContact OD2-CZ 2.86Å; D313-R363 IonicContact OD2-NH1 3.16Å; D313-R363 PolarHBondContact OD2-NH1 3.38Å; D313-R363 IonicContact OD2-NH2 3.45Å; H350-R363 PolarHBondContact O-NE 2.71Å; D355-R363 IonicContact OD1-CZ 3.84Å; D355-R363 IonicContact OD1-NE 3.19Å; D355-R363 PolarHBondContact OD1-NE 2.85Å; D355-R363 IonicContact OD1-NH2 2.68Å; D355-R363 PolarHBondContact OD1-NH2 3.16Å; D355-R363 WeakPolarHBondContact OD2-CG 3.44Å; D355-R363 IonicContact OD2-CZ 2.7Å; D355-R363 IonicContact OD2-NE 3.86Å; D355-R363 PolarHBondContact OD2-NE 3.2Å; D355-R363 IonicContact OD2-NH2 3.63Å; G359-R363 WeakPolarHBondContact O-CG 3.15Å; G359-R363 PolarHBondContact O-N 3.32Å; C360-R363 PolarHBondContact O-N 3.12Å; G361-R363 PolarHBondContact O-N 3.22Å; R363-Q366 WeakPolarHBondContact O-CB 3.32Å; R363-Q366 PolarHBondContact O-N 3.32Å; R363-M367 WeakPolarHBondContact O-CG 3.46Å; R363-M367 PolarHBondContact O-N 3.34Å; R363-I390 HydrophobicContact CG-CD1 4.39Å; R363-P513 HydrophobicContact CB-CB 3.49Å; R363-P513 VanDerWaalsContact CB-CB 3.49Å; R363-P513 HydrophobicContact CB-CG 4.31Å; R363-P513 HydrophobicContact CG-CB 4.16Å
364N98.9Very high98.2Very high0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-69.1-34.3173.9-66.1-55.6000112.3C360 G361 M367 L368 Y485 S492 R493 T494 P513C360-N364 PolarHBondContact O-N 2.95Å; C360-N364 PolarHBondContact O-ND2 3.42Å; G361-N364 PolarHBondContact O-N 2.61Å; N364-M367 HydrophobicContact CB-CE 4.41Å; N364-M367 PolarHBondContact O-N 3.2Å; N364-M367 WeakPolarHBondContact OD1-CE 3.23Å; N364-L368 WeakPolarHBondContact O-CB 3.33Å; N364-L368 PolarHBondContact O-N 3.44Å; N364-Y485 HydrophobicContact CB-CD2 3.57Å; N364-Y485 HydrophobicContact CB-CE2 3.54Å; N364-S492 PolarHBondContact ND2-O 3.43Å; N364-S492 PolarHBondContact ND2-OG 2.92Å; N364-R493 PolarHBondContact ND2-N 3.45Å; N364-R493 VanDerWaalsContact OD1-CA 3.23Å; N364-R493 WeakPolarHBondContact OD1-CA 3.28Å; N364-T494 WeakPolarHBondContact CB-OG1 3.43Å; N364-T494 PolarHBondContact OD1-N 2.91Å; N364-T494 PolarHBondContact OD1-OG1 2.92Å; N364-P513 WeakPolarHBondContact OD1-CD 3.32Å
365F98.9Very high98.1Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-62.8-43.9168.6170.6-96.9000111.8G361 Y362 M367 L368 L369 P388 I393 V429 L432 L433 L436G361-F365 PolarHBondContact O-N 3.44Å; Y362-F365 WeakPolarHBondContact O-CB 3.23Å; Y362-F365 PolarHBondContact O-N 2.88Å; F365-M367 VanDerWaalsContact C-N 3.34Å; F365-M367 PolarHBondContact O-N 3.28Å; F365-L368 PolarHBondContact O-N 3.3Å; F365-L369 HydrophobicContact CE1-CB 4.38Å; F365-L369 HydrophobicContact CE1-CD2 3.88Å; F365-L369 HydrophobicContact CZ-CB 4.27Å; F365-L369 HydrophobicContact CZ-CD2 3.94Å; F365-L369 HydrophobicContact CZ-CG 4.47Å; F365-L369 VanDerWaalsContact O-CB 3.29Å; F365-L369 WeakPolarHBondContact O-CB 3.18Å; F365-L369 PolarHBondContact O-N 2.93Å; F365-P388 HydrophobicContact CE1-CG 4.12Å; F365-I393 HydrophobicContact CD1-CD1 3.86Å; F365-I393 HydrophobicContact CD1-CG1 4.03Å; F365-I393 HydrophobicContact CD1-CG2 4.16Å; F365-I393 HydrophobicContact CE1-CD1 4.36Å; F365-I393 HydrophobicContact CE1-CG1 4.11Å; F365-I393 HydrophobicContact CE1-CG2 4.5Å; F365-V429 HydrophobicContact CB-CG2 4.49Å; F365-V429 HydrophobicContact CD2-CG1 4.43Å; F365-L432 HydrophobicContact CD1-CD2 3.98Å; F365-L432 HydrophobicContact CD2-CD2 3.73Å; F365-L432 HydrophobicContact CD2-CG 4.43Å; F365-L432 HydrophobicContact CE1-CD2 3.73Å; F365-L432 HydrophobicContact CE2-CD2 3.46Å; F365-L432 VanDerWaalsContact CE2-CD2 3.46Å; F365-L432 HydrophobicContact CE2-CG 3.79Å; F365-L432 HydrophobicContact CG-CD2 3.98Å; F365-L432 HydrophobicContact CZ-CD2 3.46Å; F365-L432 VanDerWaalsContact CZ-CD2 3.46Å; F365-L432 HydrophobicContact CZ-CG 3.87Å; F365-L433 HydrophobicContact CE2-CD2 3.93Å; F365-L433 HydrophobicContact CE2-CG 4.27Å; F365-L436 HydrophobicContact CZ-CD1 4.41Å
366Q98.9Very high97.9Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-58.2-44.1173.7-70.8-179.4-29.500112D313 F349 Y362 R363 S370 V387 P388 I393D313-Q366 PolarHBondContact OD2-NE2 3.09Å; F349-Q366 HydrophobicContact CB-CB 4.39Å; F349-Q366 HydrophobicContact CD1-CB 4.44Å; F349-Q366 HydrophobicContact CD2-CB 3.93Å; F349-Q366 HydrophobicContact CE2-CB 4.27Å; F349-Q366 HydrophobicContact CG-CB 4.02Å; Y362-Q366 WeakPolarHBondContact O-CG 3.49Å; Y362-Q366 PolarHBondContact O-N 3.35Å; R363-Q366 WeakPolarHBondContact O-CB 3.32Å; R363-Q366 PolarHBondContact O-N 3.32Å; Q366-S370 WeakPolarHBondContact O-CB 3.34Å; Q366-S370 PolarHBondContact O-N 3.46Å; Q366-V387 HydrophobicContact CB-CG1 3.75Å; Q366-V387 HydrophobicContact CG-CG1 3.62Å; Q366-P388 PolarHBondContact NE2-O 2.99Å; Q366-I393 HydrophobicContact CG-CD1 3.78Å
367M98.9Very high97.8Very high0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-61.5-46.3175.4-67.4-167.9-81.600111.7V346 D347 H348 F349 R363 N364 F365 S370 T494 F511 P513V346-M367 HydrophobicContact CG1-CB 4.13Å; D347-M367 WeakPolarHBondContact O-CG 3.32Å; H348-M367 HydrophobicContact CB-SD 4.35Å; H348-M367 PolarHBondContact CD2-SD 2.84Å; F349-M367 HydrophobicContact CB-CG 4.09Å; F349-M367 HydrophobicContact CD2-CG 4.07Å; R363-M367 WeakPolarHBondContact O-CG 3.46Å; R363-M367 PolarHBondContact O-N 3.34Å; N364-M367 HydrophobicContact CB-CE 4.41Å; N364-M367 PolarHBondContact O-N 3.2Å; N364-M367 WeakPolarHBondContact OD1-CE 3.23Å; F365-M367 VanDerWaalsContact C-N 3.34Å; F365-M367 PolarHBondContact O-N 3.28Å; M367-S370 PolarHBondContact O-N 3.33Å; M367-S370 PolarHBondContact O-OG 2.66Å; M367-T494 HydrophobicContact CB-CG2 4.37Å; M367-F511 HydrophobicContact CE-CB 4.32Å; M367-F511 HydrophobicContact SD-CB 3.91Å; M367-F511 HydrophobicContact SD-CD2 3.81Å; M367-F511 HydrophobicContact SD-CG 4.35Å; M367-P513 HydrophobicContact CE-CB 4.3Å
368L98.9Very high97.8Very high0 Ų020.6 Ų20.60%012%0.116CC..Hα-helixtrans-60-53.2175.9173.853.8000111.8N364 F365 S370 S371 L372 L433 P482 P483 V553N364-L368 WeakPolarHBondContact O-CB 3.33Å; N364-L368 PolarHBondContact O-N 3.44Å; F365-L368 PolarHBondContact O-N 3.3Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 2.97Å; L368-S371 WeakPolarHBondContact O-CB 3.19Å; L368-S371 PolarHBondContact O-N 2.85Å; L368-L372 PolarHBondContact O-N 3.39Å; L368-L433 HydrophobicContact CD2-CD1 3.81Å; L368-P482 HydrophobicContact CD1-CB 3.95Å; L368-P483 HydrophobicContact CD1-CG 4.11Å; L368-P483 WeakPolarHBondContact CD1-O 3.33Å; L368-V553 HydrophobicContact CD1-CG2 4.03Å; L368-V553 HydrophobicContact CD2-CG2 4.12Å; L368-V553 HydrophobicContact CG-CG2 4.48Å
369L98.8Very high97.6Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-58.6-37.4179.7-177.666.9000111.8F365 S371 L372 L373 L382 P388F365-L369 HydrophobicContact CE1-CB 4.38Å; F365-L369 HydrophobicContact CE1-CD2 3.88Å; F365-L369 HydrophobicContact CZ-CB 4.27Å; F365-L369 HydrophobicContact CZ-CD2 3.94Å; F365-L369 HydrophobicContact CZ-CG 4.47Å; F365-L369 VanDerWaalsContact O-CB 3.29Å; F365-L369 WeakPolarHBondContact O-CB 3.18Å; F365-L369 PolarHBondContact O-N 2.93Å; L369-S371 PolarHBondContact O-N 2.99Å; L369-S371 VanDerWaalsContact O-N 3.13Å; L369-L372 PolarHBondContact O-N 3.05Å; L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CD1-CD2 4.43Å; L369-L373 HydrophobicContact CD1-CG 4.12Å; L369-L373 HydrophobicContact CD2-CD1 4.27Å; L369-L373 HydrophobicContact CG-CD1 3.88Å; L369-L373 HydrophobicContact CG-CG 4.05Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 2.87Å; L369-L382 HydrophobicContact CD1-CD1 3.87Å; L369-L382 HydrophobicContact CD1-CD2 4.27Å; L369-P388 VanDerWaalsContact CD2-CD 3.42Å; L369-P388 HydrophobicContact CD2-CG 4.23Å
370S98.5Very high97.4Very high3 Ų330.1 Ų30.12%0.02117%0.167CC..Hα-helixtrans-57.6-28175.980.40000113.3D347 Q366 M367 L368 Q374D347-S370 PolarHBondContact N-OG 3.03Å; Q366-S370 WeakPolarHBondContact O-CB 3.34Å; Q366-S370 PolarHBondContact O-N 3.46Å; M367-S370 PolarHBondContact O-N 3.33Å; M367-S370 PolarHBondContact O-OG 2.66Å; L368-S370 VanDerWaalsContact C-N 3.26Å; L368-S370 PolarHBondContact O-N 2.97Å; S370-Q374 WeakPolarHBondContact O-CG 3.48Å; S370-Q374 PolarHBondContact O-NE2 3.04Å
371S98.5Very high97.2Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-83.2-32.6176.3-151.10000112.6S344 V345 L368 L369 Q374 P483S344-S371 PolarHBondContact OG-OG 3.49Å; V345-S371 VanDerWaalsContact O-CA 3.3Å; V345-S371 WeakPolarHBondContact O-CA 3.31Å; V345-S371 WeakPolarHBondContact O-CB 3.39Å; V345-S371 PolarHBondContact O-OG 2.95Å; L368-S371 WeakPolarHBondContact O-CB 3.19Å; L368-S371 PolarHBondContact O-N 2.85Å; L369-S371 PolarHBondContact O-N 2.99Å; L369-S371 VanDerWaalsContact O-N 3.13Å; S371-Q374 PolarHBondContact O-N 2.84Å; S371-P483 VanDerWaalsContact CB-CD 3.43Å; S371-P483 WeakPolarHBondContact OG-CD 3.29Å
372L98.4Very high97Very high1 Ų130.5 Ų30.51%0.00517%0.17CC..Hα-helixtrans-70.3-39.5175.3-53.7-178.4000111.6L368 L369 Q374 N375 Y378 L382 L433 V438 P482 V553L368-L372 PolarHBondContact O-N 3.39Å; L369-L372 PolarHBondContact O-N 3.05Å; L372-Q374 PolarHBondContact O-N 2.73Å; L372-Q374 VanDerWaalsContact O-N 3.12Å; L372-N375 PolarHBondContact O-N 3.38Å; L372-Y378 HydrophobicContact CB-CD2 4.42Å; L372-Y378 HydrophobicContact CB-CG 4.3Å; L372-Y378 HydrophobicContact CD2-CD1 4.26Å; L372-Y378 HydrophobicContact CD2-CD2 4.19Å; L372-Y378 HydrophobicContact CD2-CE1 3.97Å; L372-Y378 HydrophobicContact CD2-CE2 3.93Å; L372-Y378 HydrophobicContact CD2-CG 4.37Å; L372-L382 HydrophobicContact CB-CD1 3.5Å; L372-L382 HydrophobicContact CD1-CD1 4.23Å; L372-L433 HydrophobicContact CD1-CD2 3.91Å; L372-V438 HydrophobicContact CD1-CG1 4.09Å; L372-V438 HydrophobicContact CD1-CG2 4.36Å; L372-P482 HydrophobicContact CD2-CB 3.74Å; L372-P482 HydrophobicContact CD2-CG 3.42Å; L372-P482 VanDerWaalsContact CD2-CG 3.42Å; L372-V553 HydrophobicContact CD2-CB 4.43Å; L372-V553 HydrophobicContact CD2-CG1 3.93Å
373L97.6Very high96.5Very high50 Ų5039.1 Ų39.126%0.26221%0.207SC..THydrogen-bonded Turntrans-69.70.1175.3-63.9175.6000114.1L369 L382 M385 V387L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CD1-CD2 4.43Å; L369-L373 HydrophobicContact CD1-CG 4.12Å; L369-L373 HydrophobicContact CD2-CD1 4.27Å; L369-L373 HydrophobicContact CG-CD1 3.88Å; L369-L373 HydrophobicContact CG-CG 4.05Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 2.87Å; L373-L382 HydrophobicContact CD2-CB 3.85Å; L373-L382 HydrophobicContact CD2-CD1 4.18Å; L373-M385 HydrophobicContact CD2-CB 4.04Å; L373-V387 HydrophobicContact CD1-CG2 4.02Å
374Q95.3Very high96Very high100 Ų10043 Ų4347%0.46725%0.247SC..THydrogen-bonded Turntrans-118.718.6175.4-70.6178.889.700111.7S370 S371 L372S370-Q374 WeakPolarHBondContact O-CG 3.48Å; S370-Q374 PolarHBondContact O-NE2 3.04Å; S371-Q374 PolarHBondContact O-N 2.84Å; L372-Q374 PolarHBondContact O-N 2.73Å; L372-Q374 VanDerWaalsContact O-N 3.12Å
375N94.8Very high95.8Very high30 Ų3045.5 Ų45.516%0.1626%0.259CS..  trans-138.4108.6-174.7-175.8-26.1000110.5L372 A377 Y378 S480L372-N375 PolarHBondContact O-N 3.38Å; N375-A377 PolarHBondContact O-N 3.26Å; N375-A377 WeakPolarHBondContact OD1-CB 3.44Å; N375-A377 PolarHBondContact OD1-N 2.84Å; N375-Y378 HydrophobicContact CB-CD2 3.89Å; N375-Y378 HydrophobicContact CB-CE2 4.14Å; N375-Y378 WeakPolarHBondContact O-CD2 3.32Å; N375-Y378 PolarHBondContact O-N 3.3Å; N375-S480 PolarHBondContact ND2-O 3.46Å
376D94.2Very high95.7Very high140 Ų14048.6 Ų48.675%0.74928%0.281SS*.G310 helixtrans-49.7-23.7-175.5-49.616.8000113.9Y378 D379D376-Y378 PolarHBondContact O-N 2.99Å; D376-D379 PolarHBondContact O-N 3.44Å
377A94.8Very high95.7Very high67 Ų6749.7 Ų49.755%0.55429%0.288SS*.G310 helixtrans-64.9-13.5176.300000114.4N375N375-A377 PolarHBondContact O-N 3.26Å; N375-A377 WeakPolarHBondContact OD1-CB 3.44Å; N375-A377 PolarHBondContact OD1-N 2.84Å
378Y96.8Very high95.7Very high12 Ų1250 Ų505%0.04729%0.29CS..G310 helixtrans-113.12.4-179.9-53.7-90.6000113.2L372 N375 D376 D380 C381 L382 V438 P482 V553 G555L372-Y378 HydrophobicContact CB-CD2 4.42Å; L372-Y378 HydrophobicContact CB-CG 4.3Å; L372-Y378 HydrophobicContact CD2-CD1 4.26Å; L372-Y378 HydrophobicContact CD2-CD2 4.19Å; L372-Y378 HydrophobicContact CD2-CE1 3.97Å; L372-Y378 HydrophobicContact CD2-CE2 3.93Å; L372-Y378 HydrophobicContact CD2-CG 4.37Å; N375-Y378 HydrophobicContact CB-CD2 3.89Å; N375-Y378 HydrophobicContact CB-CE2 4.14Å; N375-Y378 WeakPolarHBondContact O-CD2 3.32Å; N375-Y378 PolarHBondContact O-N 3.3Å; D376-Y378 PolarHBondContact O-N 2.99Å; Y378-D380 VanDerWaalsContact C-N 3.27Å; Y378-D380 PolarHBondContact O-N 3.5Å; Y378-C381 PolarHBondContact O-N 3.09Å; Y378-C381 VanDerWaalsContact O-N 3.12Å; Y378-C381 PolarHBondContact O-SG 3.14Å; Y378-L382 PolarHBondContact O-N 2.98Å; Y378-V438 HydrophobicContact CD1-CG1 4.29Å; Y378-V438 HydrophobicContact CD1-CG2 4.41Å; Y378-V438 HydrophobicContact CE1-CG1 4.11Å; Y378-P482 HydrophobicContact CE2-CG 4.38Å; Y378-V553 HydrophobicContact CE1-CG1 3.59Å; Y378-V553 WeakPolarHBondContact OH-CG1 3.25Å; Y378-G555 VanDerWaalsContact CE1-O 3.3Å; Y378-G555 WeakPolarHBondContact CE1-O 3.27Å; Y378-G555 PolarHBondContact OH-N 3.44Å
379D94Very high95.7Very high98 Ų9850.2 Ų50.252%0.52429%0.291SS..THydrogen-bonded Turntrans-61.2-29.2-175.5-100.826.6000114.2D376 K383D376-D379 PolarHBondContact O-N 3.44Å; D379-K383 WeakPolarHBondContact O-CA 3.41Å; D379-K383 WeakPolarHBondContact O-CB 3.37Å; D379-K383 PolarHBondContact O-N 2.67Å
380D94.1Very high95.7Very high114 Ų11450.2 Ų50.261%0.6129%0.291SS*.THydrogen-bonded Turntrans-71.6-36.1176.8179.370000112.5Y378 R437Y378-D380 VanDerWaalsContact C-N 3.27Å; Y378-D380 PolarHBondContact O-N 3.5Å; D380-R437 IonicContact OD2-CZ 2.66Å; D380-R437 IonicContact OD2-NH1 3.03Å; D380-R437 PolarHBondContact OD2-NH1 3.48Å; D380-R437 IonicContact OD2-NH2 3.89Å; D380-R437 PolarHBondContact OD2-NH2 2.86Å
381C94.6Very high95.7Very high19 Ų1951.3 Ų51.313%0.12830%0.298CS..THydrogen-bonded Turntrans-97.7-24.2-174.158.60000114.2Y378 L436 R437Y378-C381 PolarHBondContact O-N 3.09Å; Y378-C381 VanDerWaalsContact O-N 3.12Å; Y378-C381 PolarHBondContact O-SG 3.14Å; C381-L436 WeakPolarHBondContact CB-O 3.49Å; C381-R437 HydrophobicContact CB-CB 3.83Å
382L95.2Very high95.7Very high7 Ų754.1 Ų54.14%0.03731%0.31CS..SBendtrans-109.716.5179.4-56.2-179.3000113.6L369 L372 L373 Y378 G384 M385 L436 V438L369-L382 HydrophobicContact CD1-CD1 3.87Å; L369-L382 HydrophobicContact CD1-CD2 4.27Å; L372-L382 HydrophobicContact CB-CD1 3.5Å; L372-L382 HydrophobicContact CD1-CD1 4.23Å; L373-L382 HydrophobicContact CD2-CB 3.85Å; L373-L382 HydrophobicContact CD2-CD1 4.18Å; Y378-L382 PolarHBondContact O-N 2.98Å; L382-G384 PolarHBondContact O-N 2.85Å; L382-M385 HydrophobicContact CB-SD 4.22Å; L382-M385 HydrophobicContact CD2-SD 3.72Å; L382-M385 VanDerWaalsContact O-CB 3.3Å; L382-M385 WeakPolarHBondContact O-CB 3.49Å; L382-M385 WeakPolarHBondContact O-CG 3.3Å; L382-M385 PolarHBondContact O-N 3.19Å; L382-L436 HydrophobicContact CD2-CB 4.13Å; L382-L436 HydrophobicContact CD2-CD1 4.3Å; L382-V438 HydrophobicContact CD1-CG2 4.39Å; L382-V438 HydrophobicContact CD2-CG2 3.96Å; L382-V438 HydrophobicContact CG-CG2 4.31Å
383K88.4Confident95.7Very high180 Ų18054 Ų5478%0.78331%0.31SS*.THydrogen-bonded Turntrans-54.2120-169.3-160.1164.8-173.7163.20113.8D379 M385D379-K383 WeakPolarHBondContact O-CA 3.41Å; D379-K383 WeakPolarHBondContact O-CB 3.37Å; D379-K383 PolarHBondContact O-N 2.67Å; K383-M385 PolarHBondContact O-N 3.11Å
384G87.9Confident95.8Very high81 Ų8151.7 Ų51.784%0.83530%0.297SS*.THydrogen-bonded Turntrans71.67.3177.400000114.7L382L382-G384 PolarHBondContact O-N 2.85Å
385M94.9Very high95.9Very high54 Ų5447.2 Ų47.227%0.26628%0.277SS..  trans-71.3141172-65.3-17767.100110.8L373 L382 K383 M396 L436L373-M385 HydrophobicContact CD2-CB 4.04Å; L382-M385 HydrophobicContact CB-SD 4.22Å; L382-M385 HydrophobicContact CD2-SD 3.72Å; L382-M385 VanDerWaalsContact O-CB 3.3Å; L382-M385 WeakPolarHBondContact O-CB 3.49Å; L382-M385 WeakPolarHBondContact O-CG 3.3Å; L382-M385 PolarHBondContact O-N 3.19Å; K383-M385 PolarHBondContact O-N 3.11Å; M385-M396 HydrophobicContact CE-CE 3.58Å; M385-L436 HydrophobicContact CE-CD1 3.96Å; M385-L436 HydrophobicContact CE-CD2 3.81Å; M385-L436 HydrophobicContact SD-CD2 3.94Å
386S96.6Very high96.1Very high64 Ų6447.1 Ų47.145%0.44828%0.276SS..  trans-105.6167.4164-68.20000109.5P388S386-P388 VanDerWaalsContact O-CD 3.25Å; S386-P388 WeakPolarHBondContact O-CD 3.45Å
387V98.4Very high96.3Very high24 Ų2440.4 Ų40.415%0.14524%0.24CC..PPolyproline II helixtrans-63.9116.6175.3-179.90000109.3D313 F349 Q366 L373D313-V387 HydrophobicContact CB-CG1 4.39Å; D313-V387 PolarHBondContact N-O 3.18Å; F349-V387 HydrophobicContact CE1-CG1 4.17Å; F349-V387 HydrophobicContact CE2-CG1 4.27Å; F349-V387 HydrophobicContact CZ-CB 4.23Å; F349-V387 HydrophobicContact CZ-CG1 3.76Å; F349-V387 HydrophobicContact CZ-CG2 4.17Å; Q366-V387 HydrophobicContact CB-CG1 3.75Å; Q366-V387 HydrophobicContact CG-CG1 3.62Å; L373-V387 HydrophobicContact CD1-CG2 4.02Å
388P98.6Very high96.5Very high6 Ų638 Ų384%0.03922%0.217CC..BIsolated β-bridgetrans-77.6150.3-17430.2-33.4000112G311 F365 Q366 L369 S386 K392 I393 M396G311-P388 CarbonylContact O-C 3.47Å; G311-P388 VanDerWaalsContact O-CA 3.24Å; G311-P388 WeakPolarHBondContact O-CA 3.35Å; F365-P388 HydrophobicContact CE1-CG 4.12Å; Q366-P388 PolarHBondContact NE2-O 2.99Å; L369-P388 VanDerWaalsContact CD2-CD 3.42Å; L369-P388 HydrophobicContact CD2-CG 4.23Å; S386-P388 VanDerWaalsContact O-CD 3.25Å; S386-P388 WeakPolarHBondContact O-CD 3.45Å; P388-K392 HydrophobicContact CB-CB 4.05Å; P388-K392 HydrophobicContact CB-CG 4.06Å; P388-I393 HydrophobicContact CB-CG1 4.11Å; P388-I393 HydrophobicContact CG-CD1 4.27Å; P388-I393 HydrophobicContact CG-CG1 3.61Å; P388-M396 HydrophobicContact CB-SD 4.07Å; P388-M396 HydrophobicContact CG-SD 4.05Å
389C98.6Very high96.6Very high5 Ų540.3 Ų40.33%0.03423%0.231CC..PPolyproline II helixtrans-71.7163.917469.70000111.6G311 K392 I393G311-C389 VanDerWaalsContact C-SG 3.56Å; G311-C389 PolarHBondContact O-N 3.04Å; C389-K392 WeakPolarHBondContact O-CA 3.2Å; C389-K392 PolarHBondContact O-N 2.81Å; C389-I393 PolarHBondContact O-N 3.11Å
390I98.8Very high96.8Very high0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-56.1-46.6-173.1-49.6-63.7000112.7Y275 D355 W358 Y362 R363 K392 I393 Q394Y275-I390 HydrophobicContact CD2-CB 3.94Å; Y275-I390 HydrophobicContact CD2-CG1 4.11Å; Y275-I390 HydrophobicContact CD2-CG2 4.43Å; Y275-I390 HydrophobicContact CE2-CB 4.2Å; Y275-I390 HydrophobicContact CE2-CG1 3.89Å; D355-I390 HydrophobicContact CB-CG1 4.26Å; W358-I390 HydrophobicContact CH2-CG2 3.77Å; W358-I390 HydrophobicContact CZ3-CG2 3.89Å; Y362-I390 HydrophobicContact CD1-CG2 4.01Å; Y362-I390 HydrophobicContact CD2-CG2 4.29Å; Y362-I390 HydrophobicContact CG-CG2 3.87Å; R363-I390 HydrophobicContact CG-CD1 4.39Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 PolarHBondContact O-N 3.2Å; I390-I393 HydrophobicContact CD1-CD1 4.35Å; I390-I393 PolarHBondContact O-N 2.68Å; I390-Q394 WeakPolarHBondContact O-CG 3.45Å; I390-Q394 PolarHBondContact O-N 2.88Å
391P98.6Very high97.1Very high25 Ų2531.5 Ų31.516%0.16218%0.182CC..Hα-helixtrans-66.4-28.5174.8-27.541.8000114.2Y275 L308 Q394 S395Y275-P391 HydrophobicContact CD1-CG 4.14Å; Y275-P391 HydrophobicContact CG-CG 4.05Å; L308-P391 HydrophobicContact CD2-CB 4.17Å; L308-P391 HydrophobicContact CD2-CG 3.56Å; P391-Q394 WeakPolarHBondContact O-CB 3.35Å; P391-Q394 PolarHBondContact O-N 3.05Å; P391-S395 PolarHBondContact O-N 3.36Å
392K98.8Very high97.2Very high59 Ų5937.2 Ų37.226%0.25721%0.205SC..Hα-helixtrans-71.1-36.1174.6-170.154.3178.1171.50112G311 P388 C389 I390 Q394 S395 M396G311-K392 VanDerWaalsContact O-CB 3.27Å; G311-K392 WeakPolarHBondContact O-CB 3.33Å; P388-K392 HydrophobicContact CB-CB 4.05Å; P388-K392 HydrophobicContact CB-CG 4.06Å; C389-K392 WeakPolarHBondContact O-CA 3.2Å; C389-K392 PolarHBondContact O-N 2.81Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 PolarHBondContact O-N 3.2Å; K392-Q394 VanDerWaalsContact C-N 3.3Å; K392-Q394 PolarHBondContact O-N 3.12Å; K392-S395 PolarHBondContact NZ-OG 2.89Å; K392-S395 WeakPolarHBondContact O-CB 3.33Å; K392-S395 PolarHBondContact O-N 3.3Å; K392-M396 HydrophobicContact CG-SD 4.17Å; K392-M396 VanDerWaalsContact O-CG 3.24Å; K392-M396 WeakPolarHBondContact O-CG 3.45Å; K392-M396 PolarHBondContact O-N 3.34Å
393I98.9Very high97.4Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-60.8-41.3169.3-60.2163000110.5Y362 F365 Q366 P388 C389 I390 S395 M396 I397 L432Y362-I393 HydrophobicContact CD1-CB 4.06Å; Y362-I393 HydrophobicContact CD1-CG2 3.69Å; Y362-I393 HydrophobicContact CE1-CG2 4.4Å; F365-I393 HydrophobicContact CD1-CD1 3.86Å; F365-I393 HydrophobicContact CD1-CG1 4.03Å; F365-I393 HydrophobicContact CD1-CG2 4.16Å; F365-I393 HydrophobicContact CE1-CD1 4.36Å; F365-I393 HydrophobicContact CE1-CG1 4.11Å; F365-I393 HydrophobicContact CE1-CG2 4.5Å; Q366-I393 HydrophobicContact CG-CD1 3.78Å; P388-I393 HydrophobicContact CB-CG1 4.11Å; P388-I393 HydrophobicContact CG-CD1 4.27Å; P388-I393 HydrophobicContact CG-CG1 3.61Å; C389-I393 PolarHBondContact O-N 3.11Å; I390-I393 HydrophobicContact CD1-CD1 4.35Å; I390-I393 PolarHBondContact O-N 2.68Å; I393-S395 PolarHBondContact O-N 3.41Å; I393-M396 PolarHBondContact O-N 2.96Å; I393-I397 HydrophobicContact CG2-CD1 3.89Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.23Å; I393-I397 PolarHBondContact O-N 2.75Å; I393-L432 HydrophobicContact CG2-CD2 3.82Å
394Q98.8Very high97.9Very high0 Ų033.2 Ų33.20%020%0.196CC..Hα-helixtrans-58.9-45.1173.6-67.4180-36.300111.7Y362 I390 P391 K392 E398 L417 Q418 T420Y362-Q394 HydrophobicContact CD1-CG 4.35Å; Y362-Q394 HydrophobicContact CE1-CG 3.48Å; Y362-Q394 VanDerWaalsContact CE1-CG 3.48Å; Y362-Q394 PolarHBondContact OH-NE2 3.3Å; I390-Q394 WeakPolarHBondContact O-CG 3.45Å; I390-Q394 PolarHBondContact O-N 2.88Å; P391-Q394 WeakPolarHBondContact O-CB 3.35Å; P391-Q394 PolarHBondContact O-N 3.05Å; K392-Q394 VanDerWaalsContact C-N 3.3Å; K392-Q394 PolarHBondContact O-N 3.12Å; Q394-E398 WeakPolarHBondContact O-CG 3.31Å; Q394-E398 PolarHBondContact O-N 3.39Å; Q394-E398 VanDerWaalsContact O-N 3.13Å; Q394-L417 HydrophobicContact CB-CB 3.66Å; Q394-L417 HydrophobicContact CG-CB 3.77Å; Q394-L417 PolarHBondContact NE2-O 3.12Å; Q394-L417 VanDerWaalsContact NE2-O 3.14Å; Q394-L417 PolarHBondContact OE1-O 3.44Å; Q394-Q418 HydrophobicContact CB-CG 3.85Å; Q394-T420 PolarHBondContact NE2-O 3.43Å
395S98.7Very high98.4Very high7 Ų729.4 Ų29.45%0.04916%0.156CC..Hα-helixtrans-58-48.8171.4141.10000111.9P391 K392 I393 I397 E398 D399P391-S395 PolarHBondContact O-N 3.36Å; K392-S395 PolarHBondContact NZ-OG 2.89Å; K392-S395 WeakPolarHBondContact O-CB 3.33Å; K392-S395 PolarHBondContact O-N 3.3Å; I393-S395 PolarHBondContact O-N 3.41Å; S395-I397 VanDerWaalsContact C-N 3.31Å; S395-I397 PolarHBondContact O-N 2.83Å; S395-E398 CarbonylContact O-C 3.56Å; S395-E398 WeakPolarHBondContact O-CB 3.43Å; S395-E398 PolarHBondContact O-N 3.05Å; S395-E398 VanDerWaalsContact O-N 3.12Å; S395-D399 WeakPolarHBondContact O-CB 3.22Å; S395-D399 PolarHBondContact O-N 3.47Å; S395-D399 PolarHBondContact OG-OD2 2.81Å
396M98.8Very high98.5Very high27 Ų2727.1 Ų27.113%0.13315%0.145CC..Hα-helixtrans-66.3-30.8-174.2-65.8163.67200113.1M385 P388 K392 I393 A400 L432 L436M385-M396 HydrophobicContact CE-CE 3.58Å; P388-M396 HydrophobicContact CB-SD 4.07Å; P388-M396 HydrophobicContact CG-SD 4.05Å; K392-M396 HydrophobicContact CG-SD 4.17Å; K392-M396 VanDerWaalsContact O-CG 3.24Å; K392-M396 WeakPolarHBondContact O-CG 3.45Å; K392-M396 PolarHBondContact O-N 3.34Å; I393-M396 PolarHBondContact O-N 2.96Å; M396-A400 PolarHBondContact O-N 3.38Å; M396-L432 HydrophobicContact CB-CD1 3.48Å; M396-L432 VanDerWaalsContact CB-CD1 3.48Å; M396-L432 HydrophobicContact CE-CD1 4.17Å; M396-L436 HydrophobicContact CE-CD1 3.9Å; M396-L436 HydrophobicContact CE-CD2 4.01Å; M396-L436 HydrophobicContact CE-CG 4.42Å
397I98.9Very high98.6Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-71.7-43.6171.8-63.4159.5000110.4Y362 I393 S395 D399 A400 W401 L417 I424 E428 I431 L432Y362-I397 HydrophobicContact CE1-CD1 4.42Å; I393-I397 HydrophobicContact CG2-CD1 3.89Å; I393-I397 HydrophobicContact CG2-CG1 4.49Å; I393-I397 WeakPolarHBondContact O-CG1 3.23Å; I393-I397 PolarHBondContact O-N 2.75Å; S395-I397 VanDerWaalsContact C-N 3.31Å; S395-I397 PolarHBondContact O-N 2.83Å; I397-D399 PolarHBondContact O-N 2.8Å; I397-A400 WeakPolarHBondContact O-CB 3.34Å; I397-A400 PolarHBondContact O-N 2.89Å; I397-A400 VanDerWaalsContact O-N 3.14Å; I397-W401 HydrophobicContact CG2-CD2 4.25Å; I397-W401 HydrophobicContact CG2-CH2 4.2Å; I397-W401 HydrophobicContact CG2-CZ2 3.7Å; I397-W401 PolarHBondContact O-N 2.94Å; I397-L417 HydrophobicContact CB-CD1 3.66Å; I397-L417 HydrophobicContact CD1-CD1 3.79Å; I397-L417 HydrophobicContact CG1-CD1 4.35Å; I397-L417 HydrophobicContact CG2-CD1 3.52Å; I397-I424 HydrophobicContact CD1-CD1 3.92Å; I397-E428 HydrophobicContact CD1-CB 4.14Å; I397-E428 HydrophobicContact CG2-CB 4.13Å; I397-E428 HydrophobicContact CG2-CG 4.12Å; I397-I431 HydrophobicContact CG2-CD1 4.37Å; I397-L432 HydrophobicContact CD1-CD2 4.38Å; I397-L432 HydrophobicContact CG1-CB 4.15Å; I397-L432 HydrophobicContact CG1-CD1 4.36Å; I397-L432 HydrophobicContact CG1-CD2 3.95Å; I397-L432 HydrophobicContact CG1-CG 4.4Å
398E98.8Very high98.6Very high15 Ų1531.9 Ų31.97%0.0716%0.164CC..Hα-helixtrans-60.8-34.5172.7-71.4173.6-178.400112.2Q394 S395 W401 K402 R416 L417 Q418Q394-E398 WeakPolarHBondContact O-CG 3.31Å; Q394-E398 PolarHBondContact O-N 3.39Å; Q394-E398 VanDerWaalsContact O-N 3.13Å; S395-E398 CarbonylContact O-C 3.56Å; S395-E398 WeakPolarHBondContact O-CB 3.43Å; S395-E398 PolarHBondContact O-N 3.05Å; S395-E398 VanDerWaalsContact O-N 3.12Å; E398-W401 HydrophobicContact CB-CE3 4.39Å; E398-W401 HydrophobicContact CG-CE3 4.01Å; E398-W401 HydrophobicContact CG-CZ3 4.06Å; E398-W401 PolarHBondContact O-N 3.25Å; E398-K402 WeakPolarHBondContact O-CD 3.43Å; E398-K402 VanDerWaalsContact O-CE 3.28Å; E398-K402 WeakPolarHBondContact O-CE 3.45Å; E398-K402 VanDerWaalsContact O-CG 3.22Å; E398-K402 WeakPolarHBondContact O-CG 3.2Å; E398-K402 PolarHBondContact O-N 3.49Å; E398-K402 IonicContact OE2-NZ 3.84Å; E398-R416 WeakPolarHBondContact OE1-CA 3.31Å; E398-R416 WeakPolarHBondContact OE1-CG 3.44Å; E398-L417 PolarHBondContact OE1-N 3.23Å; E398-Q418 PolarHBondContact OE1-N 2.66Å; E398-Q418 PolarHBondContact OE2-NE2 3.04Å
399D98.8Very high98.5Very high62 Ų6231.7 Ų31.733%0.33216%0.163SC..Hα-helixtrans-70.4-34.6176.1-63.6-35.4000111.2S395 I397 K402 E403S395-D399 WeakPolarHBondContact O-CB 3.22Å; S395-D399 PolarHBondContact O-N 3.47Å; S395-D399 PolarHBondContact OG-OD2 2.81Å; I397-D399 PolarHBondContact O-N 2.8Å; D399-K402 PolarHBondContact O-N 2.92Å; D399-K402 IonicContact OD1-NZ 2.68Å; D399-K402 PolarHBondContact OD1-NZ 3.4Å; D399-E403 PolarHBondContact O-N 3.34Å
400A98.7Very high98.5Very high1 Ų131.6 Ų31.61%0.00816%0.163CC..Hα-helixtrans-64.3-40.4168.200000112.2M396 I397 E403 G404 F405 I431M396-A400 PolarHBondContact O-N 3.38Å; I397-A400 WeakPolarHBondContact O-CB 3.34Å; I397-A400 PolarHBondContact O-N 2.89Å; I397-A400 VanDerWaalsContact O-N 3.14Å; A400-E403 WeakPolarHBondContact O-CB 3.45Å; A400-E403 PolarHBondContact O-N 3.05Å; A400-G404 PolarHBondContact O-N 3.02Å; A400-F405 HydrophobicContact CB-CB 4.41Å; A400-F405 HydrophobicContact CB-CD2 4.22Å; A400-F405 WeakPolarHBondContact O-CB 3.36Å; A400-F405 WeakPolarHBondContact O-CD2 3.34Å; A400-F405 PolarHBondContact O-N 3.39Å; A400-I431 HydrophobicContact CB-CG1 4.4Å
401W98.7Very high98.5Very high26 Ų2635.1 Ų35.110%0.09819%0.187CC..Hα-helixtrans-63.3-40.9172.8-63.1-28.9000112.2I397 E398 E403 G404 A410 L413 L417 E428I397-W401 HydrophobicContact CG2-CD2 4.25Å; I397-W401 HydrophobicContact CG2-CH2 4.2Å; I397-W401 HydrophobicContact CG2-CZ2 3.7Å; I397-W401 PolarHBondContact O-N 2.94Å; E398-W401 HydrophobicContact CB-CE3 4.39Å; E398-W401 HydrophobicContact CG-CE3 4.01Å; E398-W401 HydrophobicContact CG-CZ3 4.06Å; E398-W401 PolarHBondContact O-N 3.25Å; W401-E403 VanDerWaalsContact C-N 3.35Å; W401-G404 WeakPolarHBondContact O-CA 3.42Å; W401-G404 PolarHBondContact O-N 3.19Å; W401-A410 HydrophobicContact CB-CB 4.12Å; W401-A410 HydrophobicContact CD2-CB 3.57Å; W401-A410 HydrophobicContact CE3-CB 4.12Å; W401-A410 HydrophobicContact CG-CB 3.56Å; W401-A410 HydrophobicContact CZ2-CB 4.43Å; W401-L413 HydrophobicContact CH2-CB 3.79Å; W401-L413 HydrophobicContact CH2-CD1 4.06Å; W401-L413 HydrophobicContact CZ2-CB 4.34Å; W401-L413 HydrophobicContact CZ2-CD1 3.99Å; W401-L417 HydrophobicContact CH2-CD1 3.72Å; W401-L417 HydrophobicContact CH2-CD2 3.9Å; W401-L417 HydrophobicContact CH2-CG 3.53Å; W401-L417 HydrophobicContact CZ2-CD1 4.32Å; W401-L417 HydrophobicContact CZ3-CD1 4.17Å; W401-L417 HydrophobicContact CZ3-CG 3.82Å; W401-E428 HydrophobicContact CZ2-CG 4.27Å
402K98.5Very high98.3Very high139 Ų13940.1 Ų40.160%0.60421%0.209SC*.Hα-helixtrans-65.3-34.8174.3-67.9161-144.2159.90112.6E398 D399 G404E398-K402 WeakPolarHBondContact O-CD 3.43Å; E398-K402 VanDerWaalsContact O-CE 3.28Å; E398-K402 WeakPolarHBondContact O-CE 3.45Å; E398-K402 VanDerWaalsContact O-CG 3.22Å; E398-K402 WeakPolarHBondContact O-CG 3.2Å; E398-K402 PolarHBondContact O-N 3.49Å; E398-K402 IonicContact OE2-NZ 3.84Å; D399-K402 PolarHBondContact O-N 2.92Å; D399-K402 IonicContact OD1-NZ 2.68Å; D399-K402 PolarHBondContact OD1-NZ 3.4Å; K402-G404 PolarHBondContact O-N 3.21Å
403E98.3Very high98.2Very high77 Ų7738.2 Ų38.236%0.3620%0.201SC..Hα-helixtrans-63.8-21.6168.9-83.7-162.5-141.200112.6D399 A400 W401 F405 K562 R566D399-E403 PolarHBondContact O-N 3.34Å; A400-E403 WeakPolarHBondContact O-CB 3.45Å; A400-E403 PolarHBondContact O-N 3.05Å; W401-E403 VanDerWaalsContact C-N 3.35Å; E403-F405 HydrophobicContact CB-CD2 4.11Å; E403-F405 HydrophobicContact CB-CE2 4.32Å; E403-K562 IonicContact OE1-NZ 2.73Å; E403-K562 PolarHBondContact OE1-NZ 2.92Å; E403-K562 WeakPolarHBondContact OE2-CE 3.47Å; E403-K562 IonicContact OE2-NZ 2.76Å; E403-K562 PolarHBondContact OE2-NZ 3.04Å; E403-R566 WeakPolarHBondContact O-CD 3.46Å; E403-R566 PolarHBondContact O-NH1 3.24Å
404G98.1Very high98.1Very high26 Ų2642.6 Ų42.627%0.26823%0.225SC..THydrogen-bonded Turntrans105.718.6178.600000115A400 W401 K402 Q570A400-G404 PolarHBondContact O-N 3.02Å; W401-G404 WeakPolarHBondContact O-CA 3.42Å; W401-G404 PolarHBondContact O-N 3.19Å; K402-G404 PolarHBondContact O-N 3.21Å; G404-Q570 PolarHBondContact O-NE2 3.12Å
405F98.6Very high98.1Very high1 Ų147.3 Ų47.30%0.00425%0.25CC..  trans-77.1143.4170.8-72.9-88.8000111.8A400 E403 I431 T434 K562 R566 S569A400-F405 HydrophobicContact CB-CB 4.41Å; A400-F405 HydrophobicContact CB-CD2 4.22Å; A400-F405 WeakPolarHBondContact O-CB 3.36Å; A400-F405 WeakPolarHBondContact O-CD2 3.34Å; A400-F405 PolarHBondContact O-N 3.39Å; E403-F405 HydrophobicContact CB-CD2 4.11Å; E403-F405 HydrophobicContact CB-CE2 4.32Å; F405-I431 HydrophobicContact CB-CB 3.85Å; F405-I431 HydrophobicContact CB-CD1 4.43Å; F405-I431 HydrophobicContact CB-CG2 3.93Å; F405-I431 HydrophobicContact CD1-CB 4.27Å; F405-I431 HydrophobicContact CD1-CG2 4.24Å; F405-I431 HydrophobicContact CG-CB 4.21Å; F405-I431 HydrophobicContact CG-CG2 4.45Å; F405-T434 HydrophobicContact CE1-CG2 3.49Å; F405-T434 VanDerWaalsContact CE1-CG2 3.49Å; F405-T434 HydrophobicContact CZ-CG2 3.88Å; F405-K562 HydrophobicContact CZ-CG 4.05Å; F405-R566 HydrophobicContact CD1-CB 3.95Å; F405-R566 HydrophobicContact CD1-CG 4.02Å; F405-R566 HydrophobicContact CD2-CB 4.48Å; F405-R566 HydrophobicContact CD2-CG 4.03Å; F405-R566 VanDerWaalsContact CE1-CA 3.45Å; F405-R566 HydrophobicContact CE1-CB 3.52Å; F405-R566 HydrophobicContact CE1-CG 4.04Å; F405-R566 HydrophobicContact CE2-CB 4.11Å; F405-R566 HydrophobicContact CE2-CG 4.05Å; F405-R566 HydrophobicContact CG-CB 4.42Å; F405-R566 HydrophobicContact CG-CG 4.02Å; F405-R566 HydrophobicContact CZ-CB 3.62Å; F405-R566 HydrophobicContact CZ-CG 4.06Å; F405-S569 WeakPolarHBondContact CA-OG 3.3Å
406D98.3Very high98Very high6 Ų651.4 Ų51.43%0.03226%0.264CS..  trans31.271.9173.8-168.86.8000115.9Q408 G409 A410 I431 S569 F572D406-Q408 PolarHBondContact O-N 3.14Å; D406-Q408 PolarHBondContact OD1-N 3.08Å; D406-G409 VanDerWaalsContact CG-N 3.34Å; D406-G409 PolarHBondContact O-N 2.86Å; D406-G409 PolarHBondContact OD1-N 3.19Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 2.96Å; D406-I431 HydrophobicContact CB-CD1 4.32Å; D406-I431 HydrophobicContact CB-CG2 4Å; D406-S569 WeakPolarHBondContact CA-O 3.49Å; D406-S569 PolarHBondContact N-OG 3.38Å; D406-F572 HydrophobicContact CB-CD2 3.85Å; D406-F572 HydrophobicContact CB-CE2 4.33Å
407P98.2Very high98Very high63 Ų6350.1 Ų50.141%0.40926%0.258SS..Hα-helixtrans-65-17.4176.428-35.4000113S411P407-S411 WeakPolarHBondContact O-CB 3.39Å; P407-S411 PolarHBondContact O-N 2.95Å; P407-S411 VanDerWaalsContact O-N 3.14Å
408Q98.2Very high97.9Very high124 Ų12453.2 Ų53.258%0.57927%0.272SS*.Hα-helixtrans-79.1-47.5177.8-162.3-175.920.900111.1D406 A410 S411 Q412D406-Q408 PolarHBondContact O-N 3.14Å; D406-Q408 PolarHBondContact OD1-N 3.08Å; Q408-A410 VanDerWaalsContact C-N 3.34Å; Q408-S411 PolarHBondContact O-N 3.38Å; Q408-Q412 WeakPolarHBondContact O-CG 3.42Å; Q408-Q412 PolarHBondContact O-N 3.3Å
409G97.6Very high97.8Very high3 Ų354.3 Ų54.33%0.03129%0.287CS..Hα-helixtrans-60.8-42.1171.900000111.9D406 S411 Q412 L413D406-G409 VanDerWaalsContact CG-N 3.34Å; D406-G409 PolarHBondContact O-N 2.86Å; D406-G409 PolarHBondContact OD1-N 3.19Å; G409-S411 VanDerWaalsContact C-N 3.35Å; G409-S411 PolarHBondContact O-N 2.98Å; G409-Q412 PolarHBondContact O-N 3.2Å; G409-L413 PolarHBondContact O-N 2.63Å; G409-L413 VanDerWaalsContact O-N 3.15Å
410A98.2Very high97.7Very high2 Ų251.5 Ų51.52%0.01727%0.272CS..Hα-helixtrans-53.2-51.217100000111.6W401 D406 Q408 Q412 L413 N414 N415W401-A410 HydrophobicContact CB-CB 4.12Å; W401-A410 HydrophobicContact CD2-CB 3.57Å; W401-A410 HydrophobicContact CE3-CB 4.12Å; W401-A410 HydrophobicContact CG-CB 3.56Å; W401-A410 HydrophobicContact CZ2-CB 4.43Å; D406-A410 WeakPolarHBondContact O-CB 3.31Å; D406-A410 PolarHBondContact O-N 2.96Å; Q408-A410 VanDerWaalsContact C-N 3.34Å; A410-Q412 PolarHBondContact O-N 3.06Å; A410-L413 CarbonylContact O-C 3.56Å; A410-L413 PolarHBondContact O-N 3.39Å; A410-L413 VanDerWaalsContact O-N 3.14Å; A410-N414 PolarHBondContact O-N 3.49Å; A410-N415 WeakPolarHBondContact CB-OD1 3.2Å; A410-N415 WeakPolarHBondContact O-CA 3.31Å; A410-N415 PolarHBondContact O-N 3.34Å
411S97.8Very high97.7Very high74 Ų7453.3 Ų53.352%0.51728%0.28SS..Hα-helixtrans-64.5-36179.4-169.90000113.4P407 Q408 G409 L413 N414P407-S411 WeakPolarHBondContact O-CB 3.39Å; P407-S411 PolarHBondContact O-N 2.95Å; P407-S411 VanDerWaalsContact O-N 3.14Å; Q408-S411 PolarHBondContact O-N 3.38Å; G409-S411 VanDerWaalsContact C-N 3.35Å; G409-S411 PolarHBondContact O-N 2.98Å; S411-L413 PolarHBondContact O-N 2.99Å; S411-N414 PolarHBondContact O-N 3.09Å
412Q95.6Very high97.7Very high131 Ų13152.1 Ų52.161%0.61228%0.275SS*.Hα-helixtrans-62.7-30.3175.4-71.917142.700112.2Q408 G409 A410Q408-Q412 WeakPolarHBondContact O-CG 3.42Å; Q408-Q412 PolarHBondContact O-N 3.3Å; G409-Q412 PolarHBondContact O-N 3.2Å; A410-Q412 PolarHBondContact O-N 3.06Å
413L96.9Very high97.7Very high19 Ų1948.1 Ų48.110%0.09926%0.257CS..THydrogen-bonded Turntrans-101.727.9179.3-59.3173.7000112L269 W401 G409 A410 S411 N415 R416 L417 E428L269-L413 HydrophobicContact CD2-CD2 4.04Å; W401-L413 HydrophobicContact CH2-CB 3.79Å; W401-L413 HydrophobicContact CH2-CD1 4.06Å; W401-L413 HydrophobicContact CZ2-CB 4.34Å; W401-L413 HydrophobicContact CZ2-CD1 3.99Å; G409-L413 PolarHBondContact O-N 2.63Å; G409-L413 VanDerWaalsContact O-N 3.15Å; A410-L413 CarbonylContact O-C 3.56Å; A410-L413 PolarHBondContact O-N 3.39Å; A410-L413 VanDerWaalsContact O-N 3.14Å; S411-L413 PolarHBondContact O-N 2.99Å; L413-N415 PolarHBondContact O-N 2.84Å; L413-R416 PolarHBondContact O-N 3.11Å; L413-R416 VanDerWaalsContact O-N 3.14Å; L413-L417 HydrophobicContact CB-CD2 4.27Å; L413-L417 HydrophobicContact CD1-CD2 4.16Å; L413-E428 HydrophobicContact CD1-CG 3.9Å
414N96.8Very high97.7Very high92 Ų9244.9 Ų44.949%0.49224%0.242SC..THydrogen-bonded Turntrans54.323.2178.7-58.7-79.5000114.8A410 S411 R416A410-N414 PolarHBondContact O-N 3.49Å; S411-N414 PolarHBondContact O-N 3.09Å; N414-R416 PolarHBondContact O-N 2.99Å
415N97.1Very high97.7Very high99 Ų9944.4 Ų44.453%0.52924%0.237SC..THydrogen-bonded Turntrans55.322.7-174-52-82.4000114.1A410 L413A410-N415 WeakPolarHBondContact CB-OD1 3.2Å; A410-N415 WeakPolarHBondContact O-CA 3.31Å; A410-N415 PolarHBondContact O-N 3.34Å; L413-N415 PolarHBondContact O-N 2.84Å
416R97.6Very high97.7Very high93 Ų9344.4 Ų44.435%0.35124%0.237SC..  trans-152.8124.9-178.4-157.8-170.285.8-103.76.7112.8N271 E398 L413 N414 Q418 T420N271-R416 PolarHBondContact OD1-NH1 2.87Å; N271-R416 PolarHBondContact OD1-NH2 3.45Å; E398-R416 WeakPolarHBondContact OE1-CA 3.31Å; E398-R416 WeakPolarHBondContact OE1-CG 3.44Å; L413-R416 PolarHBondContact O-N 3.11Å; L413-R416 VanDerWaalsContact O-N 3.14Å; N414-R416 PolarHBondContact O-N 2.99Å; R416-Q418 PolarHBondContact NE-O 3.3Å; R416-T420 VanDerWaalsContact NH2-CG2 3.35Å
417L98.5Very high97.7Very high0 Ų045.6 Ų45.60%025%0.245CC..  trans-106.7-34172.6-62.2174.2000111.7Q394 I397 E398 W401 L413 G419 T420 A422 I424Q394-L417 HydrophobicContact CB-CB 3.66Å; Q394-L417 HydrophobicContact CG-CB 3.77Å; Q394-L417 PolarHBondContact NE2-O 3.12Å; Q394-L417 VanDerWaalsContact NE2-O 3.14Å; Q394-L417 PolarHBondContact OE1-O 3.44Å; I397-L417 HydrophobicContact CB-CD1 3.66Å; I397-L417 HydrophobicContact CD1-CD1 3.79Å; I397-L417 HydrophobicContact CG1-CD1 4.35Å; I397-L417 HydrophobicContact CG2-CD1 3.52Å; E398-L417 PolarHBondContact OE1-N 3.23Å; W401-L417 HydrophobicContact CH2-CD1 3.72Å; W401-L417 HydrophobicContact CH2-CD2 3.9Å; W401-L417 HydrophobicContact CH2-CG 3.53Å; W401-L417 HydrophobicContact CZ2-CD1 4.32Å; W401-L417 HydrophobicContact CZ3-CD1 4.17Å; W401-L417 HydrophobicContact CZ3-CG 3.82Å; L413-L417 HydrophobicContact CB-CD2 4.27Å; L413-L417 HydrophobicContact CD1-CD2 4.16Å; L417-G419 PolarHBondContact O-N 3.43Å; L417-T420 VanDerWaalsContact O-CB 3.31Å; L417-T420 WeakPolarHBondContact O-CB 3.18Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 3.43Å; L417-T420 PolarHBondContact O-OG1 2.82Å; L417-A422 HydrophobicContact CD2-CB 3.48Å; L417-A422 VanDerWaalsContact CD2-CB 3.48Å; L417-I424 HydrophobicContact CD1-CG2 4.37Å; L417-I424 HydrophobicContact CD2-CG2 4.19Å
418Q97.5Very high97.8Very high65 Ų6543.2 Ų43.230%0.30423%0.229SC..THydrogen-bonded Turntrans-62.8133.5-177.5-71.3-169.786.900111.6Q394 E398 R416 T420Q394-Q418 HydrophobicContact CB-CG 3.85Å; E398-Q418 PolarHBondContact OE1-N 2.66Å; E398-Q418 PolarHBondContact OE2-NE2 3.04Å; R416-Q418 PolarHBondContact NE-O 3.3Å; Q418-T420 PolarHBondContact O-N 3.22Å
419G95.1Very high97.8Very high37 Ų3737.3 Ų37.338%0.38120%0.201SC..THydrogen-bonded Turntrans69.613.8-173.300000114.5G273 G274 L417G273-G419 CarbonylContact C-O 3.59Å; G273-G419 WeakPolarHBondContact CA-O 3.5Å; G274-G419 PolarHBondContact N-O 2.95Å; L417-G419 PolarHBondContact O-N 3.43Å
420T98.1Very high97.9Very high3 Ų338 Ų382%0.01820%0.203CC..SBendtrans-113.2179.1172.880.40000111.6G274 Q394 R416 L417 Q418 A422G274-T420 WeakPolarHBondContact CA-O 3.43Å; Q394-T420 PolarHBondContact NE2-O 3.43Å; R416-T420 VanDerWaalsContact NH2-CG2 3.35Å; L417-T420 VanDerWaalsContact O-CB 3.31Å; L417-T420 WeakPolarHBondContact O-CB 3.18Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 3.43Å; L417-T420 PolarHBondContact O-OG1 2.82Å; Q418-T420 PolarHBondContact O-N 3.22Å; T420-A422 VanDerWaalsContact OG1-CB 3.28Å; T420-A422 WeakPolarHBondContact OG1-CB 3.24Å; T420-A422 PolarHBondContact OG1-N 3.31Å; T420-A422 VanDerWaalsContact OG1-N 3.11Å
421K98.3Very high97.9Very high40 Ų4038 Ų3817%0.17420%0.203CC..  trans-115.522.2170.2-59.5177-168.5-176.80111.4G268 G273 Q278 W358 W423G268-K421 PolarHBondContact O-N 2.98Å; G273-K421 WeakPolarHBondContact O-CE 3.43Å; G273-K421 WeakPolarHBondContact O-CG 3.34Å; Q278-K421 VanDerWaalsContact OE1-CE 3.28Å; W358-K421 HydrophobicContact CB-CB 4.35Å; W358-K421 WeakPolarHBondContact CB-O 3.31Å; W358-K421 HydrophobicContact CD2-CB 3.66Å; W358-K421 HydrophobicContact CD2-CG 4.12Å; W358-K421 HydrophobicContact CE3-CB 4.16Å; W358-K421 HydrophobicContact CG-CB 3.75Å; W358-K421 HydrophobicContact CG-CG 4.34Å; W358-K421 HydrophobicContact CZ2-CB 4.41Å; W358-K421 HydrophobicContact CZ2-CG 4.07Å; K421-W423 PolarHBondContact O-N 3.36Å
422A98.3Very high97.9Very high0 Ų034.5 Ų34.50%018%0.178CC..  trans-51.9127.5-170.300000111.5Y267 G268 L269 Y362 L417 T420Y267-A422 WeakPolarHBondContact O-CA 3.48Å; G268-A422 PolarHBondContact O-N 3.23Å; L269-A422 HydrophobicContact CD2-CB 3.85Å; Y362-A422 VanDerWaalsContact CE2-O 3.32Å; Y362-A422 WeakPolarHBondContact CE2-O 3.39Å; Y362-A422 PolarHBondContact OH-O 2.85Å; L417-A422 HydrophobicContact CD2-CB 3.48Å; L417-A422 VanDerWaalsContact CD2-CB 3.48Å; T420-A422 VanDerWaalsContact OG1-CB 3.28Å; T420-A422 WeakPolarHBondContact OG1-CB 3.24Å; T420-A422 PolarHBondContact OG1-N 3.31Å; T420-A422 VanDerWaalsContact OG1-N 3.11Å
423W98.4Very high98.1Very high56 Ų5628.2 Ų28.221%0.21215%0.149CC..  trans-69.5133171.3-7110.7000109.3Q266 Y267 K421Q266-W423 HydrophobicContact CG-CH2 3.87Å; Q266-W423 HydrophobicContact CG-CZ2 4.19Å; Q266-W423 HydrophobicContact CG-CZ3 4.41Å; Q266-W423 VanDerWaalsContact O-CZ2 3.3Å; Q266-W423 WeakPolarHBondContact O-CZ2 3.45Å; Q266-W423 PolarHBondContact O-NE1 3.06Å; Y267-W423 HydrophobicContact CD1-CD2 4.07Å; Y267-W423 AromaticContact CD1-CE3 3.48Å; Y267-W423 HydrophobicContact CD1-CE3 3.48Å; Y267-W423 VanDerWaalsContact CD1-CE3 3.48Å; Y267-W423 HydrophobicContact CD1-CG 4.5Å; Y267-W423 HydrophobicContact CD1-CZ3 4.01Å; Y267-W423 AromaticContact CE1-CE3 3.6Å; Y267-W423 HydrophobicContact CE1-CE3 3.6Å; Y267-W423 AromaticContact CE1-CZ3 3.77Å; Y267-W423 HydrophobicContact CE1-CZ3 3.77Å; Y267-W423 PolarHBondContact O-N 3.24Å; K421-W423 PolarHBondContact O-N 3.36Å
424I98.7Very high98.2Very high8 Ų827.4 Ų27.44%0.04115%0.145CC..  trans-113.6149.9175.367.8171.4000110.9Y362 I397 L417 E428 V429Y362-I424 HydrophobicContact CD1-CD1 3.73Å; Y362-I424 HydrophobicContact CD2-CD1 4.13Å; Y362-I424 HydrophobicContact CD2-CG1 4.12Å; Y362-I424 HydrophobicContact CE1-CD1 3.81Å; Y362-I424 HydrophobicContact CE1-CG1 4.39Å; Y362-I424 HydrophobicContact CE1-CG2 4.19Å; Y362-I424 HydrophobicContact CE2-CD1 4.2Å; Y362-I424 HydrophobicContact CE2-CG1 3.98Å; Y362-I424 HydrophobicContact CE2-CG2 4.2Å; Y362-I424 HydrophobicContact CG-CD1 3.91Å; Y362-I424 HydrophobicContact CG-CG1 4.42Å; I397-I424 HydrophobicContact CD1-CD1 3.92Å; L417-I424 HydrophobicContact CD1-CG2 4.37Å; L417-I424 HydrophobicContact CD2-CG2 4.19Å; I424-E428 WeakPolarHBondContact CA-OE2 3.23Å; I424-E428 HydrophobicContact CB-CB 3.97Å; I424-E428 HydrophobicContact CB-CG 4.02Å; I424-E428 HydrophobicContact CD1-CB 4.46Å; I424-E428 HydrophobicContact CG2-CB 4.25Å; I424-E428 HydrophobicContact CG2-CG 3.98Å; I424-V429 HydrophobicContact CD1-CG2 4.4Å
425G98.5Very high98.3Very high17 Ų1723.7 Ų23.718%0.17513%0.126CC..  trans-108.6-159.4-178.500000113.7C427 E428 V429G425-C427 VanDerWaalsContact C-N 3.31Å; G425-E428 PolarHBondContact N-OE2 3.31Å; G425-V429 WeakPolarHBondContact O-CG2 3.28Å
426A98.7Very high98.3Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-68.6-29174.300000112.6V429 Y430 I442 Y485 Q549 V551A426-V429 PolarHBondContact O-N 2.94Å; A426-Y430 WeakPolarHBondContact O-CB 3.19Å; A426-Y430 PolarHBondContact O-N 3.34Å; A426-I442 HydrophobicContact CB-CD1 3.92Å; A426-I442 HydrophobicContact CB-CG1 4.4Å; A426-I442 HydrophobicContact CB-CG2 4.27Å; A426-I442 WeakPolarHBondContact O-CD1 3.39Å; A426-Y485 HydrophobicContact CB-CE1 4.44Å; A426-Q549 HydrophobicContact CB-CB 4.04Å; A426-V551 HydrophobicContact CB-CG2 3.7Å
427C98.6Very high98.4Very high31 Ų3119.1 Ų19.121%0.20910%0.103CC..Hα-helixtrans-64.2-52.4-177.8-55.10000112.1G425 V429 Y430 I431 F572G425-C427 VanDerWaalsContact C-N 3.31Å; C427-V429 VanDerWaalsContact C-N 3.28Å; C427-V429 PolarHBondContact O-N 3.47Å; C427-Y430 PolarHBondContact O-N 3.34Å; C427-Y430 VanDerWaalsContact O-N 3.16Å; C427-I431 PolarHBondContact O-N 2.91Å; C427-F572 HydrophobicContact CB-CE1 4.17Å; C427-F572 HydrophobicContact CB-CE2 4.4Å; C427-F572 HydrophobicContact CB-CZ 3.94Å
428E98.9Very high98.4Very high14 Ų1419.1 Ų19.17%0.06510%0.103CC..Hα-helixtrans-62.3-36.8179.2-6668.7-115.300111.7I397 W401 L413 I424 G425 I431 L432I397-E428 HydrophobicContact CD1-CB 4.14Å; I397-E428 HydrophobicContact CG2-CB 4.13Å; I397-E428 HydrophobicContact CG2-CG 4.12Å; W401-E428 HydrophobicContact CZ2-CG 4.27Å; L413-E428 HydrophobicContact CD1-CG 3.9Å; I424-E428 WeakPolarHBondContact CA-OE2 3.23Å; I424-E428 HydrophobicContact CB-CB 3.97Å; I424-E428 HydrophobicContact CB-CG 4.02Å; I424-E428 HydrophobicContact CD1-CB 4.46Å; I424-E428 HydrophobicContact CG2-CB 4.25Å; I424-E428 HydrophobicContact CG2-CG 3.98Å; G425-E428 PolarHBondContact N-OE2 3.31Å; E428-I431 WeakPolarHBondContact O-CG1 3.14Å; E428-L432 WeakPolarHBondContact O-CB 3.32Å; E428-L432 PolarHBondContact O-N 3.4Å
429V98.9Very high98.4Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-67.8-41.3176173.50000111.4F365 I424 G425 A426 C427 L433 Y485 V551F365-V429 HydrophobicContact CB-CG2 4.49Å; F365-V429 HydrophobicContact CD2-CG1 4.43Å; I424-V429 HydrophobicContact CD1-CG2 4.4Å; G425-V429 WeakPolarHBondContact O-CG2 3.28Å; A426-V429 PolarHBondContact O-N 2.94Å; C427-V429 VanDerWaalsContact C-N 3.28Å; C427-V429 PolarHBondContact O-N 3.47Å; V429-L433 HydrophobicContact CG1-CD1 3.91Å; V429-L433 WeakPolarHBondContact O-CB 3.39Å; V429-L433 WeakPolarHBondContact O-CD1 3.47Å; V429-L433 VanDerWaalsContact O-CG 3.26Å; V429-L433 WeakPolarHBondContact O-CG 3.46Å; V429-L433 PolarHBondContact O-N 3.31Å; V429-Y485 HydrophobicContact CG1-CD2 4.22Å; V429-Y485 HydrophobicContact CG1-CG 4.42Å; V429-Y485 HydrophobicContact CG2-CD2 4.2Å; V429-Y485 HydrophobicContact CG2-CE2 3.74Å; V429-V551 HydrophobicContact CB-CG2 4.34Å; V429-V551 HydrophobicContact CG1-CB 4.44Å; V429-V551 HydrophobicContact CG1-CG2 4.12Å
430Y98.9Very high98.6Very high18 Ų1817.3 Ų17.37%0.0718%0.084CC..Hα-helixtrans-63.3-47.9175165.6-90.8000112.3A426 C427 L432 L433 T434 C440 I442 F572A426-Y430 WeakPolarHBondContact O-CB 3.19Å; A426-Y430 PolarHBondContact O-N 3.34Å; C427-Y430 PolarHBondContact O-N 3.34Å; C427-Y430 VanDerWaalsContact O-N 3.16Å; Y430-L432 VanDerWaalsContact C-N 3.32Å; Y430-L432 PolarHBondContact O-N 3Å; Y430-L433 PolarHBondContact O-N 3.32Å; Y430-T434 VanDerWaalsContact O-CB 3.28Å; Y430-T434 WeakPolarHBondContact O-CB 3.41Å; Y430-T434 PolarHBondContact O-N 3.08Å; Y430-T434 PolarHBondContact O-OG1 2.71Å; Y430-C440 VanDerWaalsContact CD2-SG 3.58Å; Y430-C440 WeakPolarHBondContact CE2-O 3.49Å; Y430-I442 HydrophobicContact CD2-CG1 4.2Å; Y430-I442 HydrophobicContact CG-CD1 4.18Å; Y430-I442 HydrophobicContact CG-CG1 4.17Å; Y430-F572 AromaticContact CD1-CE2 3.62Å; Y430-F572 HydrophobicContact CD1-CE2 3.62Å; Y430-F572 AromaticContact CD1-CZ 3.63Å; Y430-F572 HydrophobicContact CD1-CZ 3.63Å; Y430-F572 AromaticContact CE1-CE2 3.87Å; Y430-F572 HydrophobicContact CE1-CE2 3.87Å; Y430-F572 HydrophobicContact CE1-CZ 4.1Å; Y430-F572 HydrophobicContact CG-CZ 4.29Å
431I98.7Very high98.6Very high0 Ų018.7 Ų18.70%09%0.09CC..Hα-helixtrans-68.7-32.4-179.965.6-178.3000112I397 A400 F405 D406 C427 E428 T434 S435 F572I397-I431 HydrophobicContact CG2-CD1 4.37Å; A400-I431 HydrophobicContact CB-CG1 4.4Å; F405-I431 HydrophobicContact CB-CB 3.85Å; F405-I431 HydrophobicContact CB-CD1 4.43Å; F405-I431 HydrophobicContact CB-CG2 3.93Å; F405-I431 HydrophobicContact CD1-CB 4.27Å; F405-I431 HydrophobicContact CD1-CG2 4.24Å; F405-I431 HydrophobicContact CG-CB 4.21Å; F405-I431 HydrophobicContact CG-CG2 4.45Å; D406-I431 HydrophobicContact CB-CD1 4.32Å; D406-I431 HydrophobicContact CB-CG2 4Å; C427-I431 PolarHBondContact O-N 2.91Å; E428-I431 WeakPolarHBondContact O-CG1 3.14Å; I431-T434 PolarHBondContact O-N 3.18Å; I431-S435 WeakPolarHBondContact O-CB 3.46Å; I431-S435 PolarHBondContact O-N 3.34Å; I431-S435 PolarHBondContact O-OG 2.98Å; I431-F572 HydrophobicContact CG2-CE2 3.97Å
432L98.8Very high98.6Very high1 Ų117.1 Ų17.11%0.0058%0.084CC..Hα-helixtrans-66.7-44.3174.8176.560.1000112.1F365 I393 M396 I397 E428 Y430 S435 L436F365-L432 HydrophobicContact CD1-CD2 3.98Å; F365-L432 HydrophobicContact CD2-CD2 3.73Å; F365-L432 HydrophobicContact CD2-CG 4.43Å; F365-L432 HydrophobicContact CE1-CD2 3.73Å; F365-L432 HydrophobicContact CE2-CD2 3.46Å; F365-L432 VanDerWaalsContact CE2-CD2 3.46Å; F365-L432 HydrophobicContact CE2-CG 3.79Å; F365-L432 HydrophobicContact CG-CD2 3.98Å; F365-L432 HydrophobicContact CZ-CD2 3.46Å; F365-L432 VanDerWaalsContact CZ-CD2 3.46Å; F365-L432 HydrophobicContact CZ-CG 3.87Å; I393-L432 HydrophobicContact CG2-CD2 3.82Å; M396-L432 HydrophobicContact CB-CD1 3.48Å; M396-L432 VanDerWaalsContact CB-CD1 3.48Å; M396-L432 HydrophobicContact CE-CD1 4.17Å; I397-L432 HydrophobicContact CD1-CD2 4.38Å; I397-L432 HydrophobicContact CG1-CB 4.15Å; I397-L432 HydrophobicContact CG1-CD1 4.36Å; I397-L432 HydrophobicContact CG1-CD2 3.95Å; I397-L432 HydrophobicContact CG1-CG 4.4Å; E428-L432 WeakPolarHBondContact O-CB 3.32Å; E428-L432 PolarHBondContact O-N 3.4Å; Y430-L432 VanDerWaalsContact C-N 3.32Å; Y430-L432 PolarHBondContact O-N 3Å; L432-S435 PolarHBondContact O-OG 3.06Å; L432-S435 VanDerWaalsContact O-OG 3.08Å; L432-L436 HydrophobicContact CD1-CD1 4.33Å; L432-L436 VanDerWaalsContact O-CG 3.25Å; L432-L436 WeakPolarHBondContact O-CG 3.21Å; L432-L436 PolarHBondContact O-N 3.37Å
433L98.8Very high98.6Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-65.4-43.7173.7-71166.6000110.8F365 L368 L372 V429 Y430 S435 L436 R437 V438 C440 V551 V553F365-L433 HydrophobicContact CE2-CD2 3.93Å; F365-L433 HydrophobicContact CE2-CG 4.27Å; L368-L433 HydrophobicContact CD2-CD1 3.81Å; L372-L433 HydrophobicContact CD1-CD2 3.91Å; V429-L433 HydrophobicContact CG1-CD1 3.91Å; V429-L433 WeakPolarHBondContact O-CB 3.39Å; V429-L433 WeakPolarHBondContact O-CD1 3.47Å; V429-L433 VanDerWaalsContact O-CG 3.26Å; V429-L433 WeakPolarHBondContact O-CG 3.46Å; V429-L433 PolarHBondContact O-N 3.31Å; Y430-L433 PolarHBondContact O-N 3.32Å; L433-S435 PolarHBondContact O-N 2.68Å; L433-L436 CarbonylContact O-C 3.53Å; L433-L436 WeakPolarHBondContact O-CA 3.32Å; L433-L436 PolarHBondContact O-N 3.24Å; L433-R437 PolarHBondContact O-N 3.09Å; L433-V438 CarbonylContact C-O 3.56Å; L433-V438 HydrophobicContact CB-CB 4.08Å; L433-V438 HydrophobicContact CB-CG1 4.36Å; L433-V438 HydrophobicContact CD2-CB 4.21Å; L433-V438 HydrophobicContact CD2-CG1 4.11Å; L433-V438 HydrophobicContact CD2-CG2 4.45Å; L433-V438 WeakPolarHBondContact O-CA 3.48Å; L433-V438 WeakPolarHBondContact O-CB 3.34Å; L433-V438 PolarHBondContact O-N 3.46Å; L433-C440 VanDerWaalsContact CB-SG 3.58Å; L433-C440 HydrophobicContact CD1-CB 4.32Å; L433-V551 HydrophobicContact CD1-CG1 4.12Å; L433-V553 HydrophobicContact CD1-CG2 4.17Å
434T98.7Very high98.7Very high1 Ų114.7 Ų14.71%0.0068%0.075CC..Hα-helixtrans-65.6-38.7-179.6-540000112.2F405 Y430 I431 L436 R437 L557 R565F405-T434 HydrophobicContact CE1-CG2 3.49Å; F405-T434 VanDerWaalsContact CE1-CG2 3.49Å; F405-T434 HydrophobicContact CZ-CG2 3.88Å; Y430-T434 VanDerWaalsContact O-CB 3.28Å; Y430-T434 WeakPolarHBondContact O-CB 3.41Å; Y430-T434 PolarHBondContact O-N 3.08Å; Y430-T434 PolarHBondContact O-OG1 2.71Å; I431-T434 PolarHBondContact O-N 3.18Å; T434-L436 VanDerWaalsContact C-N 3.3Å; T434-L436 PolarHBondContact O-N 3.07Å; T434-R437 PolarHBondContact O-N 2.83Å; T434-L557 HydrophobicContact CG2-CD1 3.87Å; T434-R565 HydrophobicContact CG2-CB 3.58Å; T434-R565 HydrophobicContact CG2-CG 4.31Å
435S98.4Very high98.7Very high15 Ų1514.3 Ų14.311%0.1057%0.073CC..Hα-helixtrans-66.2-34.1175.173.40000111.6I431 L432 L433 R437 K562I431-S435 WeakPolarHBondContact O-CB 3.46Å; I431-S435 PolarHBondContact O-N 3.34Å; I431-S435 PolarHBondContact O-OG 2.98Å; L432-S435 PolarHBondContact O-OG 3.06Å; L432-S435 VanDerWaalsContact O-OG 3.08Å; L433-S435 PolarHBondContact O-N 2.68Å; S435-R437 PolarHBondContact O-N 2.87Å; S435-K562 WeakPolarHBondContact O-CE 3.4Å; S435-K562 PolarHBondContact O-NZ 3.17Å
436L98.3Very high98.6Very high31 Ų3116.3 Ų16.316%0.1628%0.078CC..THydrogen-bonded Turntrans-7614.3170.1-64.2172.7000114.2F365 C381 L382 M385 M396 L432 L433 T434 V438F365-L436 HydrophobicContact CZ-CD1 4.41Å; C381-L436 WeakPolarHBondContact CB-O 3.49Å; L382-L436 HydrophobicContact CD2-CB 4.13Å; L382-L436 HydrophobicContact CD2-CD1 4.3Å; M385-L436 HydrophobicContact CE-CD1 3.96Å; M385-L436 HydrophobicContact CE-CD2 3.81Å; M385-L436 HydrophobicContact SD-CD2 3.94Å; M396-L436 HydrophobicContact CE-CD1 3.9Å; M396-L436 HydrophobicContact CE-CD2 4.01Å; M396-L436 HydrophobicContact CE-CG 4.42Å; L432-L436 HydrophobicContact CD1-CD1 4.33Å; L432-L436 VanDerWaalsContact O-CG 3.25Å; L432-L436 WeakPolarHBondContact O-CG 3.21Å; L432-L436 PolarHBondContact O-N 3.37Å; L433-L436 CarbonylContact O-C 3.53Å; L433-L436 WeakPolarHBondContact O-CA 3.32Å; L433-L436 PolarHBondContact O-N 3.24Å; T434-L436 VanDerWaalsContact C-N 3.3Å; T434-L436 PolarHBondContact O-N 3.07Å; L436-V438 HydrophobicContact CB-CG2 4.42Å; L436-V438 PolarHBondContact O-N 3.49Å; L436-V438 VanDerWaalsContact O-N 3.16Å
437R98.4Very high98.6Very high64 Ų6421.2 Ų21.224%0.24210%0.099CC..THydrogen-bonded Turntrans5526.9-175.7-66.417553.5-138.2-10.1114D380 C381 L433 T434 S435 A556 L557 K562D380-R437 IonicContact OD2-CZ 2.66Å; D380-R437 IonicContact OD2-NH1 3.03Å; D380-R437 PolarHBondContact OD2-NH1 3.48Å; D380-R437 IonicContact OD2-NH2 3.89Å; D380-R437 PolarHBondContact OD2-NH2 2.86Å; C381-R437 HydrophobicContact CB-CB 3.83Å; L433-R437 PolarHBondContact O-N 3.09Å; T434-R437 PolarHBondContact O-N 2.83Å; S435-R437 PolarHBondContact O-N 2.87Å; R437-A556 CarbonylContact O-C 3.56Å; R437-A556 WeakPolarHBondContact O-CA 3.47Å; R437-L557 HydrophobicContact CB-CB 4.34Å; R437-L557 PolarHBondContact NE-O 3.3Å; R437-L557 PolarHBondContact NH2-O 2.96Å; R437-L557 PolarHBondContact O-N 3.03Å; R437-K562 HydrophobicContact CG-CB 4.39Å; R437-K562 HydrophobicContact CG-CD 3.87Å
438V98.6Very high98.5Very high0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-90.1128.8169.4179.20000108.8L372 Y378 L382 L433 L436 C440 V553 L557L372-V438 HydrophobicContact CD1-CG1 4.09Å; L372-V438 HydrophobicContact CD1-CG2 4.36Å; Y378-V438 HydrophobicContact CD1-CG1 4.29Å; Y378-V438 HydrophobicContact CD1-CG2 4.41Å; Y378-V438 HydrophobicContact CE1-CG1 4.11Å; L382-V438 HydrophobicContact CD1-CG2 4.39Å; L382-V438 HydrophobicContact CD2-CG2 3.96Å; L382-V438 HydrophobicContact CG-CG2 4.31Å; L433-V438 CarbonylContact C-O 3.56Å; L433-V438 HydrophobicContact CB-CB 4.08Å; L433-V438 HydrophobicContact CB-CG1 4.36Å; L433-V438 HydrophobicContact CD2-CB 4.21Å; L433-V438 HydrophobicContact CD2-CG1 4.11Å; L433-V438 HydrophobicContact CD2-CG2 4.45Å; L433-V438 WeakPolarHBondContact O-CA 3.48Å; L433-V438 WeakPolarHBondContact O-CB 3.34Å; L433-V438 PolarHBondContact O-N 3.46Å; L436-V438 HydrophobicContact CB-CG2 4.42Å; L436-V438 PolarHBondContact O-N 3.49Å; L436-V438 VanDerWaalsContact O-N 3.16Å; V438-C440 PolarHBondContact O-N 2.9Å; V438-V553 HydrophobicContact CG1-CG1 3.48Å; V438-V553 VanDerWaalsContact CG1-CG1 3.48Å; V438-V553 HydrophobicContact CG1-CG2 4.25Å; V438-L557 WeakPolarHBondContact O-CD1 3.28Å
439K98.7Very high98.5Very high62 Ų6223.5 Ų23.527%0.2712%0.116SC..EExtended strand (participates in β ladder)trans-81.5116.8177.5-175.9175.5178.9165.90109.3V553 E554 G555 L557K439-V553 WeakPolarHBondContact O-CA 3.49Å; K439-E554 HydrophobicContact CD-CB 4.24Å; K439-E554 HydrophobicContact CG-CB 4.13Å; K439-E554 PolarHBondContact O-N 2.86Å; K439-G555 WeakPolarHBondContact CA-O 3.46Å; K439-G555 WeakPolarHBondContact CB-O 3.35Å; K439-G555 PolarHBondContact N-O 3.43Å; K439-L557 HydrophobicContact CB-CD2 3.6Å; K439-L557 HydrophobicContact CB-CG 3.83Å; K439-L557 HydrophobicContact CD-CD2 4.19Å; K439-L557 HydrophobicContact CG-CD2 3.73Å; K439-L557 HydrophobicContact CG-CG 4.5Å
440C98.6Very high98.3Very high2 Ų224.4 Ų24.41%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-142.7169.7173.756.70000110.7Y430 L433 V438 V551 A552 V553Y430-C440 VanDerWaalsContact CD2-SG 3.58Å; Y430-C440 WeakPolarHBondContact CE2-O 3.49Å; L433-C440 VanDerWaalsContact CB-SG 3.58Å; L433-C440 HydrophobicContact CD1-CB 4.32Å; V438-C440 PolarHBondContact O-N 2.9Å; C440-V551 HydrophobicContact CB-CG1 3.98Å; C440-A552 WeakPolarHBondContact CA-O 3.35Å; C440-A552 WeakPolarHBondContact CB-O 3.49Å; C440-V553 HydrophobicContact CB-CG2 4.25Å
441H98.3Very high98.1Very high32 Ų3228.6 Ų28.615%0.14815%0.154CC..EExtended strand (participates in β ladder)trans-143.6167.1167.563.6-101.2000110.9W461 V551 A552 E554H441-W461 AromaticContact NE2-CZ2 3.48Å; H441-W461 WeakPolarHBondContact NE2-CZ2 3.43Å; H441-V551 WeakPolarHBondContact O-CA 3.45Å; H441-A552 PolarHBondContact N-O 2.84Å; H441-A552 PolarHBondContact O-N 3.5Å; H441-E554 VanDerWaalsContact CE1-CD 3.45Å; H441-E554 IonicContact CE1-OE1 2.73Å; H441-E554 PolarHBondContact CE1-OE1 3.06Å; H441-E554 IonicContact CE1-OE2 3.22Å; H441-E554 IonicContact ND1-OE1 3.65Å; H441-E554 PolarHBondContact ND1-OE1 3.34Å; H441-E554 VanDerWaalsContact ND1-OE1 3.16Å; H441-E554 IonicContact ND1-OE2 2.84Å; H441-E554 PolarHBondContact ND1-OE2 2.87Å
442I98.8Very high98Very high7 Ų735.8 Ų35.84%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-106.8134.5174.2-57.7-179.5000109.7A426 Y430 Q549 I550 V551 F572 A574 E575A426-I442 HydrophobicContact CB-CD1 3.92Å; A426-I442 HydrophobicContact CB-CG1 4.4Å; A426-I442 HydrophobicContact CB-CG2 4.27Å; A426-I442 WeakPolarHBondContact O-CD1 3.39Å; Y430-I442 HydrophobicContact CD2-CG1 4.2Å; Y430-I442 HydrophobicContact CG-CD1 4.18Å; Y430-I442 HydrophobicContact CG-CG1 4.17Å; I442-Q549 HydrophobicContact CG2-CB 4.3Å; I442-I550 VanDerWaalsContact CA-O 3.27Å; I442-I550 WeakPolarHBondContact CA-O 3.49Å; I442-V551 HydrophobicContact CG1-CG2 4.3Å; I442-F572 HydrophobicContact CD1-CE1 3.83Å; I442-F572 HydrophobicContact CD1-CZ 3.72Å; I442-A574 HydrophobicContact CB-CB 3.8Å; I442-A574 HydrophobicContact CG2-CB 3.74Å; I442-E575 PolarHBondContact O-N 2.87Å; I442-E575 VanDerWaalsContact O-N 3.14Å
443V98.8Very high97.8Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-116.5124.7166.5-169.10000109.4F445 W461 Q549 I550 E575 I577V443-F445 HydrophobicContact CB-CE2 3.99Å; V443-F445 HydrophobicContact CB-CZ 4.49Å; V443-F445 HydrophobicContact CG1-CD2 4.33Å; V443-F445 HydrophobicContact CG1-CE2 3.65Å; V443-F445 HydrophobicContact CG1-CZ 3.78Å; V443-W461 HydrophobicContact CG2-CZ2 3.9Å; V443-Q549 CarbonylContact O-C 3.55Å; V443-Q549 WeakPolarHBondContact O-CA 3.42Å; V443-I550 HydrophobicContact CB-CD1 4.11Å; V443-I550 HydrophobicContact CB-CG1 3.77Å; V443-I550 HydrophobicContact CG2-CD1 4.33Å; V443-I550 HydrophobicContact CG2-CG1 4.28Å; V443-I550 PolarHBondContact N-O 3.21Å; V443-I550 VanDerWaalsContact N-O 3.13Å; V443-I550 PolarHBondContact O-N 2.92Å; V443-E575 HydrophobicContact CG1-CB 4.29Å; V443-E575 HydrophobicContact CG1-CG 4.26Å; V443-E575 HydrophobicContact CG2-CB 4.33Å; V443-I577 HydrophobicContact CG1-CD1 3.6Å; V443-I577 HydrophobicContact CG1-CG1 3.88Å
444D98.8Very high97.8Very high6 Ų637.9 Ų37.93%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-106.4101.8-174.9179.423.7000111.3H446 Q547 Q549 A574 E575 K576 I577D444-H446 PolarHBondContact O-N 3.45Å; D444-Q547 PolarHBondContact OD1-NE2 3.36Å; D444-Q547 PolarHBondContact OD2-NE2 3.5Å; D444-Q549 HydrophobicContact CB-CG 4.01Å; D444-Q549 WeakPolarHBondContact OD1-CG 3.39Å; D444-A574 HydrophobicContact CB-CB 4.42Å; D444-E575 WeakPolarHBondContact CB-O 3.47Å; D444-E575 PolarHBondContact N-O 2.86Å; D444-K576 HydrophobicContact CB-CG 3.99Å; D444-K576 WeakPolarHBondContact O-CA 3.08Å; D444-K576 WeakPolarHBondContact OD2-CE 3.21Å; D444-K576 IonicContact OD2-NZ 3.02Å; D444-I577 PolarHBondContact O-N 2.86Å
445F98.7Very high97.7Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-81.167.7171.7-60.5-90.6000109.4V443 K447 R457 L458 W461 Q547 Y548 I550 I577V443-F445 HydrophobicContact CB-CE2 3.99Å; V443-F445 HydrophobicContact CB-CZ 4.49Å; V443-F445 HydrophobicContact CG1-CD2 4.33Å; V443-F445 HydrophobicContact CG1-CE2 3.65Å; V443-F445 HydrophobicContact CG1-CZ 3.78Å; F445-K447 PolarHBondContact O-N 2.82Å; F445-K447 VanDerWaalsContact O-N 3.12Å; F445-R457 HydrophobicContact CD1-CB 4.37Å; F445-R457 HydrophobicContact CE1-CB 4.17Å; F445-L458 HydrophobicContact CD1-CB 3.96Å; F445-L458 HydrophobicContact CD2-CB 4.39Å; F445-L458 HydrophobicContact CD2-CD1 3.67Å; F445-L458 HydrophobicContact CE1-CB 4.05Å; F445-L458 HydrophobicContact CE2-CB 4.46Å; F445-L458 HydrophobicContact CE2-CD1 3.51Å; F445-L458 HydrophobicContact CG-CB 4.14Å; F445-L458 HydrophobicContact CG-CD1 4.27Å; F445-L458 HydrophobicContact CZ-CB 4.3Å; F445-L458 HydrophobicContact CZ-CD1 3.99Å; F445-W461 HydrophobicContact CE1-CB 4.35Å; F445-W461 HydrophobicContact CZ-CB 3.77Å; F445-W461 AromaticContact CZ-CG 3.91Å; F445-W461 HydrophobicContact CZ-CG 3.91Å; F445-Q547 VanDerWaalsContact O-CA 3.3Å; F445-Q547 WeakPolarHBondContact O-CA 3.35Å; F445-Y548 CarbonylContact C-O 3.59Å; F445-Y548 WeakPolarHBondContact CA-O 3.36Å; F445-Y548 WeakPolarHBondContact CB-O 3.47Å; F445-Y548 PolarHBondContact N-O 3.26Å; F445-Y548 PolarHBondContact O-N 3.38Å; F445-I550 HydrophobicContact CE2-CD1 3.89Å; F445-I550 HydrophobicContact CE2-CG1 4.01Å; F445-I577 WeakPolarHBondContact CA-O 3.39Å; F445-I577 HydrophobicContact CD1-CB 3.89Å; F445-I577 HydrophobicContact CD1-CG2 4Å; F445-I577 HydrophobicContact CE1-CB 3.88Å; F445-I577 HydrophobicContact CE1-CD1 3.73Å; F445-I577 HydrophobicContact CE1-CG1 4.32Å; F445-I577 HydrophobicContact CE1-CG2 3.9Å; F445-I577 HydrophobicContact CZ-CD1 3.91Å
446H97.9Very high97.7Very high58 Ų5838.5 Ų38.527%0.26921%0.213SC..  trans-62.5-18.2-168.362.5104.6000115.4D444 I577 P578D444-H446 PolarHBondContact O-N 3.45Å; H446-I577 PolarHBondContact CD2-O 2.87Å; H446-P578 PolarHBondContact CE1-O 3.4Å; H446-P578 PolarHBondContact NE2-O 3.46Å
447K97.3Very high97.7Very high103 Ų10342.5 Ų42.545%0.44823%0.226SC..SBendtrans-150.3148.1176.664.7-164.8175.6-159.30111.5F445 T449 K546 P578F445-K447 PolarHBondContact O-N 2.82Å; F445-K447 VanDerWaalsContact O-N 3.12Å; K447-T449 WeakPolarHBondContact O-CG2 3.19Å; K447-T449 PolarHBondContact O-N 3.48Å; K447-K546 WeakPolarHBondContact CA-O 3.4Å; K447-P578 VanDerWaalsContact CE-CG 3.47Å; K447-P578 WeakPolarHBondContact CE-O 3.44Å; K447-P578 HydrophobicContact CG-CG 4.42Å; K447-P578 PolarHBondContact NZ-O 3.02Å
448S97.6Very high97.7Very high53 Ų5339.4 Ų39.437%0.37122%0.215SC..  trans-58.3127.7176.558.30000112.5T454 H455 K546S448-T454 CarbonylContact C-O 3.54Å; S448-T454 WeakPolarHBondContact CB-O 3.48Å; S448-H455 VanDerWaalsContact CA-CE1 3.44Å; S448-H455 WeakPolarHBondContact CA-CE1 3.39Å; S448-H455 PolarHBondContact N-CE1 2.92Å; S448-K546 PolarHBondContact N-O 3.39Å
449T97.8Very high97.7Very high41 Ų4139.5 Ų39.525%0.25222%0.215SC..  trans-100.85.4-17472.80000114.4K447 T454 P456 R457 P578K447-T449 WeakPolarHBondContact O-CG2 3.19Å; K447-T449 PolarHBondContact O-N 3.48Å; T449-T454 PolarHBondContact N-O 3.29Å; T449-P456 WeakPolarHBondContact OG1-CD 3.22Å; T449-P456 WeakPolarHBondContact OG1-CG 3.4Å; T449-R457 HydrophobicContact CG2-CB 4.01Å; T449-R457 HydrophobicContact CG2-CG 3.85Å; T449-R457 WeakPolarHBondContact OG1-CG 3.29Å; T449-R457 PolarHBondContact OG1-N 2.9Å; T449-P578 HydrophobicContact CG2-CG 3.75Å
450G95.9Very high97.7Very high18 Ų1839.9 Ų39.919%0.18622%0.218CC..BIsolated β-bridgetrans-142.8171.4-175.300000114.1T454G450-T454 VanDerWaalsContact C-OG1 3.28Å; G450-T454 PolarHBondContact N-O 2.95Å; G450-T454 PolarHBondContact O-N 2.98Å
451P95.3Very high97.6Very high106 Ų10641.9 Ų41.969%0.68823%0.225SC*.G310 helixtrans-55.1150.7-176.3-25.534.8000113.2G453 T454P451-G453 PolarHBondContact O-N 3.47Å; P451-G453 VanDerWaalsContact O-N 3.16Å; P451-T454 WeakPolarHBondContact O-CB 3.13Å; P451-T454 WeakPolarHBondContact O-CG2 3.38Å; P451-T454 PolarHBondContact O-N 3.15Å; P451-T454 PolarHBondContact O-OG1 2.91Å
452L95Very high97.7Very high151 Ų15140.4 Ų40.479%0.79122%0.218SC*.G310 helixtrans55.630.8175.3-50.8176.4000114.3K544L452-K544 WeakPolarHBondContact O-CE 3.24Å; L452-K544 PolarHBondContact O-NZ 3.43Å
453G95.9Very high97.6Very high26 Ų2641.6 Ų41.627%0.26822%0.224SC..G310 helixtrans77.225178.500000114.6P451 K544P451-G453 PolarHBondContact O-N 3.47Å; P451-G453 VanDerWaalsContact O-N 3.16Å; G453-K544 WeakPolarHBondContact O-CA 3.43Å
454T97.1Very high97.5Very high19 Ų1946.1 Ų46.112%0.11725%0.248CC..BIsolated β-bridgetrans-88.4161.7-179.655.70000112.5S448 T449 G450 P451 P456 M540S448-T454 CarbonylContact C-O 3.54Å; S448-T454 WeakPolarHBondContact CB-O 3.48Å; T449-T454 PolarHBondContact N-O 3.29Å; G450-T454 VanDerWaalsContact C-OG1 3.28Å; G450-T454 PolarHBondContact N-O 2.95Å; G450-T454 PolarHBondContact O-N 2.98Å; P451-T454 WeakPolarHBondContact O-CB 3.13Å; P451-T454 WeakPolarHBondContact O-CG2 3.38Å; P451-T454 PolarHBondContact O-N 3.15Å; P451-T454 PolarHBondContact O-OG1 2.91Å; T454-P456 VanDerWaalsContact C-CD 3.43Å; T454-P456 WeakPolarHBondContact O-CD 3.5Å; T454-M540 HydrophobicContact CG2-CB 4.28Å; T454-M540 WeakPolarHBondContact CG2-O 3.27Å
455H98.2Very high97.4Very high1 Ų147.2 Ų47.21%0.00525%0.253CS..  trans-12066.1-177.4-72.2-102000112.4S448 R457 L458 F459 H545 K546 Y548S448-H455 VanDerWaalsContact CA-CE1 3.44Å; S448-H455 WeakPolarHBondContact CA-CE1 3.39Å; S448-H455 PolarHBondContact N-CE1 2.92Å; H455-R457 VanDerWaalsContact C-N 3.26Å; H455-R457 PolarHBondContact O-N 2.7Å; H455-L458 HydrophobicContact CB-CB 4.01Å; H455-L458 HydrophobicContact CB-CD2 4.44Å; H455-L458 WeakPolarHBondContact O-CB 3.42Å; H455-L458 PolarHBondContact O-N 2.95Å; H455-L458 VanDerWaalsContact O-N 3.17Å; H455-F459 WeakPolarHBondContact O-CD2 3.2Å; H455-F459 PolarHBondContact O-N 3.14Å; H455-H545 PolarHBondContact NE2-O 2.92Å; H455-K546 PolarHBondContact CE1-O 3.47Å; H455-Y548 AromaticContact CD2-CD2 3.76Å; H455-Y548 AromaticContact CD2-CE2 3.6Å; H455-Y548 AromaticContact CE1-CD2 3.74Å; H455-Y548 AromaticContact CG-CD2 3.98Å; H455-Y548 AromaticContact ND1-CD2 4Å; H455-Y548 AromaticContact NE2-CD2 3.6Å; H455-Y548 AromaticContact NE2-CE2 3.63Å
456P97.9Very high97.2Very high28 Ų2847.4 Ų47.418%0.18225%0.253CS..Hα-helixtrans-57-36.6178.321.3-32.2000113T449 T454 L458 F459 E460 M540T449-P456 WeakPolarHBondContact OG1-CD 3.22Å; T449-P456 WeakPolarHBondContact OG1-CG 3.4Å; T454-P456 VanDerWaalsContact C-CD 3.43Å; T454-P456 WeakPolarHBondContact O-CD 3.5Å; P456-L458 VanDerWaalsContact C-N 3.26Å; P456-L458 PolarHBondContact O-N 3.44Å; P456-F459 WeakPolarHBondContact O-CA 3.4Å; P456-F459 PolarHBondContact O-N 3.32Å; P456-E460 WeakPolarHBondContact O-CG 3.42Å; P456-E460 PolarHBondContact O-N 2.91Å; P456-M540 HydrophobicContact CB-SD 4.01Å
457R98.4Very high96.9Very high115 Ų11546.3 Ų46.343%0.43425%0.252SS..Hα-helixtrans-61.7-30.7178.3-66.2-65-69.3165.6-5.6113.6F445 T449 H455 E460 W461 I577F445-R457 HydrophobicContact CD1-CB 4.37Å; F445-R457 HydrophobicContact CE1-CB 4.17Å; T449-R457 HydrophobicContact CG2-CB 4.01Å; T449-R457 HydrophobicContact CG2-CG 3.85Å; T449-R457 WeakPolarHBondContact OG1-CG 3.29Å; T449-R457 PolarHBondContact OG1-N 2.9Å; H455-R457 VanDerWaalsContact C-N 3.26Å; H455-R457 PolarHBondContact O-N 2.7Å; R457-E460 VanDerWaalsContact CD-OE2 3.31Å; R457-E460 WeakPolarHBondContact CD-OE2 3.34Å; R457-E460 IonicContact CZ-OE2 3.64Å; R457-E460 IonicContact NE-OE2 2.98Å; R457-E460 IonicContact NH1-OE2 3.85Å; R457-E460 PolarHBondContact NH1-OE2 3.2Å; R457-W461 VanDerWaalsContact O-CB 3.29Å; R457-W461 WeakPolarHBondContact O-CB 3.21Å; R457-W461 PolarHBondContact O-N 3.33Å; R457-I577 HydrophobicContact CB-CG2 3.81Å; R457-I577 HydrophobicContact CG-CG2 4.19Å
458L98.6Very high95.6Very high0 Ų045.3 Ų45.30%026%0.258CS..Hα-helixtrans-68.3-40.6172.9173.865.1000111.2F445 H455 P456 I462 L486 L543 Y548 I550F445-L458 HydrophobicContact CD1-CB 3.96Å; F445-L458 HydrophobicContact CD2-CB 4.39Å; F445-L458 HydrophobicContact CD2-CD1 3.67Å; F445-L458 HydrophobicContact CE1-CB 4.05Å; F445-L458 HydrophobicContact CE2-CB 4.46Å; F445-L458 HydrophobicContact CE2-CD1 3.51Å; F445-L458 HydrophobicContact CG-CB 4.14Å; F445-L458 HydrophobicContact CG-CD1 4.27Å; F445-L458 HydrophobicContact CZ-CB 4.3Å; F445-L458 HydrophobicContact CZ-CD1 3.99Å; H455-L458 HydrophobicContact CB-CB 4.01Å; H455-L458 HydrophobicContact CB-CD2 4.44Å; H455-L458 WeakPolarHBondContact O-CB 3.42Å; H455-L458 PolarHBondContact O-N 2.95Å; H455-L458 VanDerWaalsContact O-N 3.17Å; P456-L458 VanDerWaalsContact C-N 3.26Å; P456-L458 PolarHBondContact O-N 3.44Å; L458-I462 HydrophobicContact CD1-CD1 3.71Å; L458-I462 HydrophobicContact CD1-CG1 4.29Å; L458-I462 HydrophobicContact CG-CD1 3.96Å; L458-I462 WeakPolarHBondContact O-CB 3.13Å; L458-I462 WeakPolarHBondContact O-CD1 3.45Å; L458-I462 VanDerWaalsContact O-CG1 3.24Å; L458-I462 WeakPolarHBondContact O-CG1 3.44Å; L458-I462 PolarHBondContact O-N 3.26Å; L458-L486 HydrophobicContact CD1-CD1 4.33Å; L458-L486 HydrophobicContact CD2-CD1 4.16Å; L458-L543 HydrophobicContact CD2-CD2 3.74Å; L458-Y548 HydrophobicContact CD2-CD2 4.2Å; L458-Y548 HydrophobicContact CD2-CG 4.03Å; L458-I550 HydrophobicContact CD1-CG2 3.88Å
459F98.5Very high93.8Very high1 Ų148.7 Ų48.70%0.00427%0.268CS..Hα-helixtrans-71.4-38.3177.9-76.4-117.8000111.4H455 P456 L463 L506 L508 K538 S539 M540 L543H455-F459 WeakPolarHBondContact O-CD2 3.2Å; H455-F459 PolarHBondContact O-N 3.14Å; P456-F459 WeakPolarHBondContact O-CA 3.4Å; P456-F459 PolarHBondContact O-N 3.32Å; F459-L463 VanDerWaalsContact O-CB 3.3Å; F459-L463 WeakPolarHBondContact O-CB 3.23Å; F459-L463 PolarHBondContact O-N 2.96Å; F459-L506 HydrophobicContact CB-CB 4.3Å; F459-L506 HydrophobicContact CB-CD1 4.03Å; F459-L506 HydrophobicContact CD1-CB 3.81Å; F459-L508 HydrophobicContact CD1-CD1 4.46Å; F459-L508 HydrophobicContact CD1-CD2 4.31Å; F459-L508 HydrophobicContact CD1-CG 3.93Å; F459-L508 HydrophobicContact CD2-CD1 4.32Å; F459-L508 HydrophobicContact CE1-CB 4.49Å; F459-L508 HydrophobicContact CE1-CD1 4.13Å; F459-L508 HydrophobicContact CE1-CD2 4.49Å; F459-L508 HydrophobicContact CE1-CG 3.65Å; F459-L508 HydrophobicContact CE2-CD1 3.96Å; F459-L508 HydrophobicContact CE2-CG 4.38Å; F459-L508 HydrophobicContact CG-CG 4.43Å; F459-L508 HydrophobicContact CZ-CD1 3.84Å; F459-L508 HydrophobicContact CZ-CG 3.87Å; F459-K538 WeakPolarHBondContact CE1-O 3.35Å; F459-S539 VanDerWaalsContact CZ-C 3.47Å; F459-M540 HydrophobicContact CD1-CG 3.81Å; F459-M540 HydrophobicContact CD2-CG 3.83Å; F459-M540 HydrophobicContact CE1-CG 3.82Å; F459-M540 HydrophobicContact CE2-CB 4.4Å; F459-M540 HydrophobicContact CE2-CG 3.86Å; F459-M540 HydrophobicContact CG-CG 3.82Å; F459-M540 VanDerWaalsContact CZ-CA 3.49Å; F459-M540 HydrophobicContact CZ-CB 4.29Å; F459-M540 HydrophobicContact CZ-CG 3.88Å; F459-M540 VanDerWaalsContact CZ-N 3.32Å; F459-L543 HydrophobicContact CE2-CB 4.2Å; F459-L543 HydrophobicContact CE2-CD2 3.97Å; F459-L543 HydrophobicContact CZ-CD1 4.42Å; F459-L543 HydrophobicContact CZ-CD2 4.35Å
460E97.7Very high91.7Very high70 Ų7049.6 Ų49.633%0.32729%0.286SS..Hα-helixtrans-62.7-44.7172.2-69.1162.3-131.900111.8P456 R457 L463 N464P456-E460 WeakPolarHBondContact O-CG 3.42Å; P456-E460 PolarHBondContact O-N 2.91Å; R457-E460 VanDerWaalsContact CD-OE2 3.31Å; R457-E460 WeakPolarHBondContact CD-OE2 3.34Å; R457-E460 IonicContact CZ-OE2 3.64Å; R457-E460 IonicContact NE-OE2 2.98Å; R457-E460 IonicContact NH1-OE2 3.85Å; R457-E460 PolarHBondContact NH1-OE2 3.2Å; E460-L463 PolarHBondContact O-N 3.02Å; E460-N464 PolarHBondContact O-N 2.82Å; E460-N464 PolarHBondContact O-ND2 3.49Å
461W98.1Very high89.7Confident45 Ų4558.8 Ų58.817%0.1732%0.323CS..Hα-helixtrans-62.6-48.3177.5-166.6106.9000111.3H441 V443 F445 R457 L463 N464 Y465 I484 I550 A552H441-W461 AromaticContact NE2-CZ2 3.48Å; H441-W461 WeakPolarHBondContact NE2-CZ2 3.43Å; V443-W461 HydrophobicContact CG2-CZ2 3.9Å; F445-W461 HydrophobicContact CE1-CB 4.35Å; F445-W461 HydrophobicContact CZ-CB 3.77Å; F445-W461 AromaticContact CZ-CG 3.91Å; F445-W461 HydrophobicContact CZ-CG 3.91Å; R457-W461 VanDerWaalsContact O-CB 3.29Å; R457-W461 WeakPolarHBondContact O-CB 3.21Å; R457-W461 PolarHBondContact O-N 3.33Å; W461-L463 VanDerWaalsContact C-N 3.31Å; W461-L463 PolarHBondContact O-N 3.1Å; W461-N464 PolarHBondContact O-N 2.78Å; W461-Y465 AromaticContact CH2-CD2 3.85Å; W461-Y465 HydrophobicContact CH2-CD2 3.85Å; W461-Y465 HydrophobicContact CH2-CG 4.37Å; W461-Y465 AromaticContact CZ3-CD2 3.86Å; W461-Y465 HydrophobicContact CZ3-CD2 3.86Å; W461-Y465 AromaticContact CZ3-CG 3.93Å; W461-Y465 HydrophobicContact CZ3-CG 3.93Å; W461-Y465 PolarHBondContact O-N 3.06Å; W461-I484 HydrophobicContact CZ3-CD1 4.01Å; W461-I550 HydrophobicContact CD2-CD1 3.76Å; W461-I550 HydrophobicContact CE3-CD1 3.37Å; W461-I550 HydrophobicContact CH2-CD1 3.95Å; W461-I550 HydrophobicContact CZ2-CD1 4.24Å; W461-I550 HydrophobicContact CZ3-CD1 3.48Å; W461-I550 VanDerWaalsContact CZ3-CD1 3.48Å; W461-A552 HydrophobicContact CH2-CB 3.52Å; W461-A552 HydrophobicContact CZ3-CB 4.1Å
462I98.4Very high88.4Confident0 Ų057.8 Ų57.80%033%0.333CS..Hα-helixtrans-65.9-34.9178.3-65.4166.5000111.4L458 Y466 I484 V495 I498 L508L458-I462 HydrophobicContact CD1-CD1 3.71Å; L458-I462 HydrophobicContact CD1-CG1 4.29Å; L458-I462 HydrophobicContact CG-CD1 3.96Å; L458-I462 WeakPolarHBondContact O-CB 3.13Å; L458-I462 WeakPolarHBondContact O-CD1 3.45Å; L458-I462 VanDerWaalsContact O-CG1 3.24Å; L458-I462 WeakPolarHBondContact O-CG1 3.44Å; L458-I462 PolarHBondContact O-N 3.26Å; I462-Y466 HydrophobicContact CG2-CD2 3.74Å; I462-Y466 HydrophobicContact CG2-CE2 3.8Å; I462-Y466 WeakPolarHBondContact O-CD2 3.41Å; I462-Y466 PolarHBondContact O-N 3.35Å; I462-I484 HydrophobicContact CB-CD1 4.38Å; I462-I484 HydrophobicContact CG1-CD1 3.91Å; I462-I484 HydrophobicContact CG2-CD1 4.01Å; I462-V495 HydrophobicContact CD1-CG2 4.49Å; I462-V495 HydrophobicContact CG2-CG1 4.23Å; I462-I498 HydrophobicContact CG2-CB 4.37Å; I462-I498 HydrophobicContact CG2-CD1 4.35Å; I462-L508 HydrophobicContact CB-CD2 4.05Å; I462-L508 HydrophobicContact CD1-CD1 3.77Å; I462-L508 HydrophobicContact CD1-CD2 3.82Å; I462-L508 HydrophobicContact CD1-CG 4.47Å; I462-L508 HydrophobicContact CG2-CD2 3.66Å
463L97.2Very high87.6Confident32 Ų3252.6 Ų52.617%0.16831%0.309CS..Hα-helixtrans-58.7-54.8171.5-177.363.8000110.2W341 F459 E460 W461 Y465 Y466 S467 I498 L506W341-L463 HydrophobicContact CE3-CD1 3.99Å; W341-L463 HydrophobicContact CH2-CD1 3.86Å; W341-L463 HydrophobicContact CZ2-CD1 4.49Å; W341-L463 HydrophobicContact CZ3-CD1 3.57Å; F459-L463 VanDerWaalsContact O-CB 3.3Å; F459-L463 WeakPolarHBondContact O-CB 3.23Å; F459-L463 PolarHBondContact O-N 2.96Å; E460-L463 PolarHBondContact O-N 3.02Å; W461-L463 VanDerWaalsContact C-N 3.31Å; W461-L463 PolarHBondContact O-N 3.1Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; L463-Y465 PolarHBondContact O-N 3.49Å; L463-Y466 PolarHBondContact O-N 3.3Å; L463-Y466 VanDerWaalsContact O-N 3.16Å; L463-S467 WeakPolarHBondContact O-CB 3.26Å; L463-S467 PolarHBondContact O-N 3Å; L463-S467 PolarHBondContact O-OG 2.81Å; L463-I498 HydrophobicContact CB-CD1 3.93Å; L463-I498 HydrophobicContact CD1-CD1 4.33Å; L463-I498 HydrophobicContact CD1-CG2 4.27Å; L463-L506 HydrophobicContact CB-CD1 4.35Å; L463-L506 HydrophobicContact CD1-CD2 4.28Å; L463-L506 HydrophobicContact CD2-CD1 4.06Å; L463-L506 HydrophobicContact CD2-CD2 4.08Å
464N96.3Very high87.3Confident95 Ų9555.2 Ų55.251%0.50832%0.322SS..Hα-helixtrans-59-40.5-178.9-66.6-16.1000112.3E460 W461 Y466 S468E460-N464 PolarHBondContact O-N 2.82Å; E460-N464 PolarHBondContact O-ND2 3.49Å; W461-N464 PolarHBondContact O-N 2.78Å; N464-Y466 PolarHBondContact O-N 2.74Å; N464-S468 PolarHBondContact O-OG 2.71Å
465Y96.9Very high87Confident30 Ų3057.7 Ų57.712%0.11833%0.331CS..Hα-helixtrans-55.3-49.8175.4176.9-93.2000111.5W461 L463 K481 P482 I484 A552 V553W461-Y465 AromaticContact CH2-CD2 3.85Å; W461-Y465 HydrophobicContact CH2-CD2 3.85Å; W461-Y465 HydrophobicContact CH2-CG 4.37Å; W461-Y465 AromaticContact CZ3-CD2 3.86Å; W461-Y465 HydrophobicContact CZ3-CD2 3.86Å; W461-Y465 AromaticContact CZ3-CG 3.93Å; W461-Y465 HydrophobicContact CZ3-CG 3.93Å; W461-Y465 PolarHBondContact O-N 3.06Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; L463-Y465 PolarHBondContact O-N 3.49Å; Y465-K481 HydrophobicContact CE1-CB 3.91Å; Y465-K481 HydrophobicContact CE1-CD 4.34Å; Y465-K481 WeakPolarHBondContact O-CD 3.32Å; Y465-K481 WeakPolarHBondContact O-CE 3.29Å; Y465-K481 PolarHBondContact O-NZ 3.46Å; Y465-P482 WeakPolarHBondContact CE1-O 3.3Å; Y465-P482 PolarHBondContact OH-O 3.4Å; Y465-I484 HydrophobicContact CD1-CD1 3.64Å; Y465-I484 HydrophobicContact CD1-CG1 4.06Å; Y465-I484 HydrophobicContact CE1-CD1 3.97Å; Y465-I484 HydrophobicContact CE1-CG1 3.85Å; Y465-I484 HydrophobicContact CG-CD1 3.99Å; Y465-A552 HydrophobicContact CD2-CB 4.44Å; Y465-A552 HydrophobicContact CE2-CB 4.07Å; Y465-V553 PolarHBondContact OH-O 3.13Å
466Y96.3Very high86.9Confident3 Ų358.1 Ų58.11%0.01233%0.333CS..Hα-helixtrans-84.1-28-177.3-74.8-62.2000115.1W341 I462 L463 N464 P483 I484 V495 I498W341-Y466 HydrophobicContact CB-CG 4.39Å; I462-Y466 HydrophobicContact CG2-CD2 3.74Å; I462-Y466 HydrophobicContact CG2-CE2 3.8Å; I462-Y466 WeakPolarHBondContact O-CD2 3.41Å; I462-Y466 PolarHBondContact O-N 3.35Å; L463-Y466 PolarHBondContact O-N 3.3Å; L463-Y466 VanDerWaalsContact O-N 3.16Å; N464-Y466 PolarHBondContact O-N 2.74Å; Y466-P483 WeakPolarHBondContact OH-CA 3.32Å; Y466-I484 HydrophobicContact CE2-CD1 4Å; Y466-V495 PolarHBondContact OH-O 2.61Å; Y466-I498 HydrophobicContact CD2-CG2 3.99Å; Y466-I498 HydrophobicContact CG-CG2 4.5Å
467S91.6Very high86.8Confident36 Ų3657.8 Ų57.825%0.25233%0.331SS..Hα-helixtrans-87.7-8.5-168.871.10000115.7L463 E469L463-S467 WeakPolarHBondContact O-CB 3.26Å; L463-S467 PolarHBondContact O-N 3Å; L463-S467 PolarHBondContact O-OG 2.81Å; S467-E469 PolarHBondContact O-N 2.8Å
468S69.6Low86.6Confident81 Ų8155.3 Ų55.357%0.56633%0.33SS*.  trans-74.543.5-169.6-63.80000115.7N464N464-S468 PolarHBondContact O-OG 2.71Å
469E59.1Low86.4Confident125 Ų12556.1 Ų56.158%0.58434%0.335SS*.SBendtrans-144116167.1-70-169.5177.900112.5S467S467-E469 PolarHBondContact O-N 2.8Å
470G54.6Low86.2Confident60 Ų6059.6 Ų59.662%0.61936%0.359SS*.  trans85118.9158.400000118.4S473G470-S473 WeakPolarHBondContact O-CB 3.37Å; G470-S473 PolarHBondContact O-OG 3.26Å; G470-S473 VanDerWaalsContact O-OG 3.12Å
471E53.9Low86.1Confident210 Ų21058.6 Ų58.698%0.98135%0.354SS*.THydrogen-bonded Turntrans-64.1138.6155.1-67.4-169.5156.700109.8
472G66.6Low86.1Confident86 Ų8656.7 Ų56.789%0.88735%0.347SS*.THydrogen-bonded Turntrans79.115.4-17600000115
473S77.8Confident86.2Confident42 Ų4256.7 Ų56.729%0.29435%0.347SS..  trans-57145.7177.143.80000113.4Q339 G470Q339-S473 PolarHBondContact NE2-OG 3.41Å; G470-S473 WeakPolarHBondContact O-CB 3.37Å; G470-S473 PolarHBondContact O-OG 3.26Å; G470-S473 VanDerWaalsContact O-OG 3.12Å
474P89.7Confident86.2Confident81 Ų8155.1 Ų55.153%0.52634%0.339SS..  trans-70.7162.5-176.528.9-35.7000112.8Q339 V476 V477Q339-P474 PolarHBondContact NE2-O 2.84Å; P474-V476 PolarHBondContact O-N 3.3Å; P474-V477 HydrophobicContact CG-CG2 4.22Å; P474-V477 WeakPolarHBondContact O-CG2 3.5Å
475K92.6Very high86.4Confident71 Ų7150.6 Ų50.631%0.30932%0.315SS..SBendtrans-48.5-34.3174.2-176.5-162.6177.7-164.90113.2Y330 A334 Q339 V340Y330-K475 WeakPolarHBondContact O-CE 3.49Å; Y330-K475 PolarHBondContact O-NZ 3.29Å; A334-K475 WeakPolarHBondContact O-CE 3.25Å; A334-K475 PolarHBondContact O-NZ 3.08Å; Q339-K475 CarbonylContact C-O 3.44Å; Q339-K475 VanDerWaalsContact CA-O 3.31Å; Q339-K475 WeakPolarHBondContact CA-O 3.42Å; V340-K475 PolarHBondContact N-O 2.98Å
476V95Very high86.5Confident9 Ų949.2 Ų49.26%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-127.7114.2-177.6-164.60000107.8Q331 V340 P474Q331-V476 HydrophobicContact CB-CG2 4.44Å; V340-V476 HydrophobicContact CG1-CB 4.22Å; V340-V476 HydrophobicContact CG1-CG1 3.83Å; V340-V476 HydrophobicContact CG1-CG2 4.21Å; P474-V476 PolarHBondContact O-N 3.3Å
477V95.1Very high86.6Confident22 Ų2250 Ų5013%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-110.8114.5179.3-1730000108.1V340 W341 L342 P474 T479V340-V477 PolarHBondContact O-N 3.43Å; W341-V477 CarbonylContact C-O 3.54Å; W341-V477 WeakPolarHBondContact CA-O 3.47Å; W341-V477 HydrophobicContact CG-CB 4.27Å; L342-V477 PolarHBondContact N-O 3.4Å; P474-V477 HydrophobicContact CG-CG2 4.22Å; P474-V477 WeakPolarHBondContact O-CG2 3.5Å; V477-T479 HydrophobicContact CG1-CG2 3.89Å
478C94.4Very high86.9Confident63 Ų6349 Ų4943%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-93111.7165.4-59.30000107H327H327-C478 PolarHBondContact CD2-SG 3.02Å
479T94.5Very high88.2Confident16 Ų1651.5 Ų51.510%0.09831%0.308CS..  trans-87.2164.4-175.866.60000111.3L342 S343 S344 V477 K481L342-T479 WeakPolarHBondContact O-CB 3.19Å; L342-T479 PolarHBondContact O-N 3.13Å; L342-T479 PolarHBondContact O-OG1 3Å; S343-T479 CarbonylContact C-O 3.57Å; S344-T479 VanDerWaalsContact CA-O 3.3Å; S344-T479 WeakPolarHBondContact CA-O 3.44Å; S344-T479 PolarHBondContact N-O 3.16Å; V477-T479 HydrophobicContact CG1-CG2 3.89Å; T479-K481 PolarHBondContact O-N 3.15Å; T479-K481 PolarHBondContact OG1-N 3.14Å
480S94.8Very high89.9Confident74 Ų7447.3 Ų47.352%0.51730%0.298SS..SBendtrans-78.61.4165.854.40000113.2N375N375-S480 PolarHBondContact ND2-O 3.46Å
481K96.6Very high92Very high49 Ų4946.7 Ų46.721%0.21328%0.279CS..PPolyproline II helixtrans-86.3131.9-168.7-59.4-168.1-178.2-165.70111.3S343 S344 Y465 T479S343-K481 CarbonylContact C-O 3.42Å; S343-K481 VanDerWaalsContact CA-O 3.25Å; S343-K481 WeakPolarHBondContact CA-O 3.22Å; S343-K481 VanDerWaalsContact CB-O 3.26Å; S343-K481 WeakPolarHBondContact CB-O 3.4Å; S344-K481 PolarHBondContact N-O 3.34Å; S344-K481 PolarHBondContact OG-O 3.44Å; S344-K481 VanDerWaalsContact OG-O 3.13Å; Y465-K481 HydrophobicContact CE1-CB 3.91Å; Y465-K481 HydrophobicContact CE1-CD 4.34Å; Y465-K481 WeakPolarHBondContact O-CD 3.32Å; Y465-K481 WeakPolarHBondContact O-CE 3.29Å; Y465-K481 PolarHBondContact O-NZ 3.46Å; T479-K481 PolarHBondContact O-N 3.15Å; T479-K481 PolarHBondContact OG1-N 3.14Å
482P98.2Very high94.1Very high5 Ų536.7 Ų36.73%0.03223%0.232CC..PPolyproline II helixtrans-57155.4175.1-25.435.4000112.4L368 L372 Y378 Y465 V553L368-P482 HydrophobicContact CD1-CB 3.95Å; L372-P482 HydrophobicContact CD2-CB 3.74Å; L372-P482 HydrophobicContact CD2-CG 3.42Å; L372-P482 VanDerWaalsContact CD2-CG 3.42Å; Y378-P482 HydrophobicContact CE2-CG 4.38Å; Y465-P482 WeakPolarHBondContact CE1-O 3.3Å; Y465-P482 PolarHBondContact OH-O 3.4Å; P482-V553 HydrophobicContact CB-CB 4.25Å; P482-V553 HydrophobicContact CG-CB 4.14Å; P482-V553 HydrophobicContact CG-CG1 4.25Å
483P98.7Very high95.7Very high0 Ų033.8 Ų33.80%020%0.195CC..PPolyproline II helixtrans-67.4164.4172.733.8-38.6000111.4V346 L368 S371 Y466 T494 V495 I496V346-P483 HydrophobicContact CG1-CG 4.27Å; V346-P483 HydrophobicContact CG2-CB 4.06Å; V346-P483 HydrophobicContact CG2-CG 3.74Å; L368-P483 HydrophobicContact CD1-CG 4.11Å; L368-P483 WeakPolarHBondContact CD1-O 3.33Å; S371-P483 VanDerWaalsContact CB-CD 3.43Å; S371-P483 WeakPolarHBondContact OG-CD 3.29Å; Y466-P483 WeakPolarHBondContact OH-CA 3.32Å; P483-T494 HydrophobicContact CB-CG2 3.61Å; P483-T494 HydrophobicContact CG-CG2 3.95Å; P483-V495 WeakPolarHBondContact CA-O 3.26Å; P483-V495 WeakPolarHBondContact CB-O 3.41Å; P483-I496 HydrophobicContact CB-CG2 4.2Å
484I98.9Very high96.7Very high0 Ų031.8 Ų31.80%018%0.181CC..EExtended strand (participates in β ladder)trans-103.7128.8-177-60165.7000109.7W461 I462 Y465 Y466 T494 V495 I550W461-I484 HydrophobicContact CZ3-CD1 4.01Å; I462-I484 HydrophobicContact CB-CD1 4.38Å; I462-I484 HydrophobicContact CG1-CD1 3.91Å; I462-I484 HydrophobicContact CG2-CD1 4.01Å; Y465-I484 HydrophobicContact CD1-CD1 3.64Å; Y465-I484 HydrophobicContact CD1-CG1 4.06Å; Y465-I484 HydrophobicContact CE1-CD1 3.97Å; Y465-I484 HydrophobicContact CE1-CG1 3.85Å; Y465-I484 HydrophobicContact CG-CD1 3.99Å; Y466-I484 HydrophobicContact CE2-CD1 4Å; I484-T494 CarbonylContact O-C 3.54Å; I484-T494 WeakPolarHBondContact O-CA 3.32Å; I484-V495 HydrophobicContact CB-CB 4.27Å; I484-V495 PolarHBondContact N-O 3.02Å; I484-V495 PolarHBondContact O-N 3.39Å; I484-I550 HydrophobicContact CG2-CB 3.64Å; I484-I550 HydrophobicContact CG2-CD1 4.29Å; I484-I550 HydrophobicContact CG2-CG1 4.5Å; I484-I550 HydrophobicContact CG2-CG2 3.79Å
485Y98.9Very high97.1Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-72.1132168.8-179.2-82.4000109.3G361 N364 A426 V429 Q487 S492 I550 V551G361-Y485 VanDerWaalsContact CA-OH 3.28Å; G361-Y485 WeakPolarHBondContact CA-OH 3.25Å; N364-Y485 HydrophobicContact CB-CD2 3.57Å; N364-Y485 HydrophobicContact CB-CE2 3.54Å; A426-Y485 HydrophobicContact CB-CE1 4.44Å; V429-Y485 HydrophobicContact CG1-CD2 4.22Å; V429-Y485 HydrophobicContact CG1-CG 4.42Å; V429-Y485 HydrophobicContact CG2-CD2 4.2Å; V429-Y485 HydrophobicContact CG2-CE2 3.74Å; Y485-Q487 HydrophobicContact CE1-CB 4.04Å; Y485-Q487 VanDerWaalsContact CE1-OE1 3.31Å; Y485-Q487 PolarHBondContact OH-OE1 3Å; Y485-S492 VanDerWaalsContact OH-CB 3.27Å; Y485-S492 WeakPolarHBondContact OH-CB 3.46Å; Y485-S492 PolarHBondContact OH-OG 2.96Å; Y485-I550 CarbonylContact O-C 3.56Å; Y485-I550 WeakPolarHBondContact O-CA 3.27Å; Y485-I550 WeakPolarHBondContact O-CB 3.2Å; Y485-V551 HydrophobicContact CD1-CG2 3.89Å; Y485-V551 HydrophobicContact CG-CG2 4.27Å; Y485-V551 PolarHBondContact N-O 2.81Å; Y485-V551 PolarHBondContact O-N 2.86Å
486L98.9Very high97.4Very high0 Ų024.6 Ų24.60%014%0.141CC..EExtended strand (participates in β ladder)trans-126.9110.9-178.3177.469.4000111.3L458 S492 R493 V495 I510 L543 Y548 I550L458-L486 HydrophobicContact CD1-CD1 4.33Å; L458-L486 HydrophobicContact CD2-CD1 4.16Å; L486-S492 CarbonylContact O-C 3.54Å; L486-S492 WeakPolarHBondContact O-CA 3.41Å; L486-S492 WeakPolarHBondContact O-CB 3.31Å; L486-R493 WeakPolarHBondContact CA-O 3.17Å; L486-R493 PolarHBondContact N-O 2.69Å; L486-R493 PolarHBondContact O-N 2.78Å; L486-V495 HydrophobicContact CB-CG2 3.95Å; L486-V495 HydrophobicContact CD2-CG2 3.89Å; L486-V495 HydrophobicContact CG-CG2 4.5Å; L486-I510 HydrophobicContact CD2-CD1 3.86Å; L486-L543 HydrophobicContact CD2-CD2 4.1Å; L486-Y548 HydrophobicContact CD1-CD1 3.77Å; L486-Y548 HydrophobicContact CD1-CG 4.29Å; L486-Y548 HydrophobicContact CD2-CD1 4.48Å; L486-Y548 HydrophobicContact CG-CD1 4.19Å; L486-I550 HydrophobicContact CB-CG2 4.45Å; L486-I550 HydrophobicContact CD1-CG2 3.54Å
487Q98.8Very high97.6Very high21 Ų2124.1 Ų24.110%0.09814%0.139CC..EExtended strand (participates in β ladder)trans-91.9146.6174.5-165.26451.400111.8Y485 H491 Y548 Q549Y485-Q487 HydrophobicContact CE1-CB 4.04Å; Y485-Q487 VanDerWaalsContact CE1-OE1 3.31Å; Y485-Q487 PolarHBondContact OH-OE1 3Å; Q487-H491 PolarHBondContact NE2-O 2.73Å; Q487-Y548 VanDerWaalsContact O-CA 3.29Å; Q487-Y548 WeakPolarHBondContact O-CA 3.48Å; Q487-Y548 WeakPolarHBondContact O-CD1 3.48Å; Q487-Q549 HydrophobicContact CB-CB 4.1Å; Q487-Q549 PolarHBondContact N-O 2.71Å; Q487-Q549 PolarHBondContact O-N 2.77Å; Q487-Q549 VanDerWaalsContact O-N 3.09Å
488H98.3Very high97.7Very high13 Ų1323.1 Ų23.16%0.0613%0.132CC..EExtended strand (participates in β ladder)trans-139.9179.814757.584.5000109.3G490 H491 R493 H545 Y548H488-G490 PolarHBondContact O-N 3.38Å; H488-G490 VanDerWaalsContact O-N 3.15Å; H488-H491 PolarHBondContact CD2-O 2.87Å; H488-H491 PolarHBondContact N-O 3.38Å; H488-H491 PolarHBondContact O-N 2.85Å; H488-R493 PolarHBondContact CD2-NH2 3.42Å; H488-R493 VanDerWaalsContact CD2-NH2 3.34Å; H488-R493 PolarHBondContact NE2-NH2 3.15Å; H488-H545 HydrophobicContact CB-CB 3.92Å; H488-H545 AromaticContact CE1-CE1 3.5Å; H488-H545 PolarHBondContact CE1-CE1 2.88Å; H488-H545 VanDerWaalsContact CE1-CE1 3.5Å; H488-H545 AromaticContact CE1-ND1 3.93Å; H488-H545 AromaticContact CE1-NE2 3.59Å; H488-H545 AromaticContact CG-CG 3.82Å; H488-H545 AromaticContact CG-ND1 3.92Å; H488-H545 AromaticContact ND1-CD2 3.92Å; H488-H545 AromaticContact ND1-CE1 3.35Å; H488-H545 PolarHBondContact ND1-CE1 3.28Å; H488-H545 AromaticContact ND1-CG 3.68Å; H488-H545 AromaticContact ND1-ND1 3.32Å; H488-H545 PolarHBondContact ND1-ND1 2.82Å; H488-H545 AromaticContact ND1-NE2 3.73Å; H488-Y548 HydrophobicContact CB-CD1 3.84Å; H488-Y548 HydrophobicContact CB-CE1 3.82Å; H488-Y548 AromaticContact CD2-CE1 3.81Å
489Q96.8Very high97.8Very high134 Ų13420.1 Ų20.163%0.62611%0.112SC*.THydrogen-bonded Turntrans-58.9124.1174.2-166.76414.400110.4Y267Y267-Q489 PolarHBondContact OH-NE2 3.1Å
490G95.5Very high97.9Very high38 Ų3820.5 Ų20.539%0.39211%0.113SC..THydrogen-bonded Turntrans83.8-5.2172.400000117.9H488H488-G490 PolarHBondContact O-N 3.38Å; H488-G490 VanDerWaalsContact O-N 3.15Å
491H98.3Very high97.9Very high46 Ų4618 Ų1821%0.2139%0.093CC..EExtended strand (participates in β ladder)trans-162154.1171.7-165.345.5000111.1C360 Q487 H488 D512C360-H491 VanDerWaalsContact CB-ND1 3.34Å; C360-H491 WeakPolarHBondContact CB-ND1 3.35Å; Q487-H491 PolarHBondContact NE2-O 2.73Å; H488-H491 PolarHBondContact CD2-O 2.87Å; H488-H491 PolarHBondContact N-O 3.38Å; H488-H491 PolarHBondContact O-N 2.85Å; H491-D512 IonicContact CD2-OD2 2.74Å; H491-D512 IonicContact CE1-OD1 2.71Å; H491-D512 IonicContact NE2-OD1 2.78Å; H491-D512 PolarHBondContact NE2-OD1 2.72Å; H491-D512 IonicContact NE2-OD2 3.06Å; H491-D512 PolarHBondContact NE2-OD2 2.93Å
492S98.7Very high97.9Very high0 Ų022.7 Ų22.70%011%0.113CC..EExtended strand (participates in β ladder)trans-128.7158.5167.857.20000111.8G361 N364 Y485 L486G361-S492 VanDerWaalsContact CA-OG 3.29Å; G361-S492 WeakPolarHBondContact CA-OG 3.13Å; G361-S492 PolarHBondContact N-OG 3.14Å; N364-S492 PolarHBondContact ND2-O 3.43Å; N364-S492 PolarHBondContact ND2-OG 2.92Å; Y485-S492 VanDerWaalsContact OH-CB 3.27Å; Y485-S492 WeakPolarHBondContact OH-CB 3.46Å; Y485-S492 PolarHBondContact OH-OG 2.96Å; L486-S492 CarbonylContact O-C 3.54Å; L486-S492 WeakPolarHBondContact O-CA 3.41Å; L486-S492 WeakPolarHBondContact O-CB 3.31Å
493R98.8Very high97.7Very high25 Ų2528.1 Ų28.19%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-145.7168.5-174.3-72174.6-82.8174.3-13.2110.3N364 L486 H488 I510 F511 D512N364-R493 PolarHBondContact ND2-N 3.45Å; N364-R493 VanDerWaalsContact OD1-CA 3.23Å; N364-R493 WeakPolarHBondContact OD1-CA 3.28Å; L486-R493 WeakPolarHBondContact CA-O 3.17Å; L486-R493 PolarHBondContact N-O 2.69Å; L486-R493 PolarHBondContact O-N 2.78Å; H488-R493 PolarHBondContact CD2-NH2 3.42Å; H488-R493 VanDerWaalsContact CD2-NH2 3.34Å; H488-R493 PolarHBondContact NE2-NH2 3.15Å; R493-I510 HydrophobicContact CB-CG2 3.53Å; R493-I510 HydrophobicContact CG-CG2 4.25Å; R493-F511 WeakPolarHBondContact CB-O 3.15Å; R493-D512 WeakPolarHBondContact CD-OD2 3.33Å; R493-D512 HydrophobicContact CG-CB 4.28Å
494T98.9Very high97.4Very high1 Ų130.4 Ų30.41%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-117.5123.6179.4-67.50000110.9N364 M367 P483 I484 I496 I510 F511N364-T494 WeakPolarHBondContact CB-OG1 3.43Å; N364-T494 PolarHBondContact OD1-N 2.91Å; N364-T494 PolarHBondContact OD1-OG1 2.92Å; M367-T494 HydrophobicContact CB-CG2 4.37Å; P483-T494 HydrophobicContact CB-CG2 3.61Å; P483-T494 HydrophobicContact CG-CG2 3.95Å; I484-T494 CarbonylContact O-C 3.54Å; I484-T494 WeakPolarHBondContact O-CA 3.32Å; T494-I496 HydrophobicContact CG2-CG2 4.2Å; T494-I510 CarbonylContact O-C 3.07Å; T494-I510 WeakPolarHBondContact O-CA 3.49Å; T494-F511 PolarHBondContact N-O 3.5Å; T494-F511 PolarHBondContact O-N 3.43Å
495V98.9Very high97.2Very high0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-91112178.3-172.60000109.6I462 Y466 P483 I484 L486 L508 L509 I510I462-V495 HydrophobicContact CD1-CG2 4.49Å; I462-V495 HydrophobicContact CG2-CG1 4.23Å; Y466-V495 PolarHBondContact OH-O 2.61Å; P483-V495 WeakPolarHBondContact CA-O 3.26Å; P483-V495 WeakPolarHBondContact CB-O 3.41Å; I484-V495 HydrophobicContact CB-CB 4.27Å; I484-V495 PolarHBondContact N-O 3.02Å; I484-V495 PolarHBondContact O-N 3.39Å; L486-V495 HydrophobicContact CB-CG2 3.95Å; L486-V495 HydrophobicContact CD2-CG2 3.89Å; L486-V495 HydrophobicContact CG-CG2 4.5Å; V495-L508 HydrophobicContact CG1-CB 4.31Å; V495-L508 HydrophobicContact CG1-CD2 4.16Å; V495-L509 WeakPolarHBondContact CA-O 3.17Å; V495-I510 HydrophobicContact CG1-CG1 4.46Å; V495-I510 HydrophobicContact CG2-CD1 3.96Å; V495-I510 HydrophobicContact CG2-CG1 4.07Å
496I98.6Very high97.1Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-98.75.4-175.661.5140.2000113.9I323 L326 L342 S343 V346 P483 T494 L509 F511 L536I323-I496 HydrophobicContact CD1-CB 4.01Å; I323-I496 HydrophobicContact CD1-CD1 3.55Å; I323-I496 HydrophobicContact CD1-CG1 4.41Å; I323-I496 HydrophobicContact CD1-CG2 4.49Å; L326-I496 HydrophobicContact CD1-CD1 3.48Å; L326-I496 VanDerWaalsContact CD1-CD1 3.48Å; L342-I496 WeakPolarHBondContact CA-O 3.19Å; S343-I496 PolarHBondContact N-O 3.11Å; S343-I496 PolarHBondContact OG-O 2.72Å; V346-I496 HydrophobicContact CB-CG2 4.37Å; V346-I496 HydrophobicContact CG1-CG2 4.34Å; V346-I496 HydrophobicContact CG2-CG2 4.09Å; P483-I496 HydrophobicContact CB-CG2 4.2Å; T494-I496 HydrophobicContact CG2-CG2 4.2Å; I496-L509 HydrophobicContact CD1-CB 4.35Å; I496-L509 HydrophobicContact CG1-CB 3.96Å; I496-L509 WeakPolarHBondContact CG1-O 3.31Å; I496-L509 PolarHBondContact N-O 2.93Å; I496-F511 HydrophobicContact CD1-CD1 4.02Å; I496-F511 HydrophobicContact CD1-CE1 3.43Å; I496-F511 VanDerWaalsContact CD1-CE1 3.43Å; I496-F511 HydrophobicContact CD1-CZ 3.76Å; I496-F511 HydrophobicContact CG1-CD1 4.09Å; I496-F511 HydrophobicContact CG1-CE1 4.01Å; I496-F511 HydrophobicContact CG1-CZ 4.41Å; I496-F511 HydrophobicContact CG2-CB 4.46Å; I496-F511 HydrophobicContact CG2-CD1 4.17Å; I496-F511 HydrophobicContact CG2-CD2 3.64Å; I496-F511 HydrophobicContact CG2-CE1 4.31Å; I496-F511 HydrophobicContact CG2-CE2 3.8Å; I496-F511 HydrophobicContact CG2-CG 3.83Å; I496-F511 HydrophobicContact CG2-CZ 4.12Å; I496-L536 HydrophobicContact CD1-CD1 4.2Å; I496-L536 HydrophobicContact CG1-CD1 4.37Å
497G98.3Very high97.1Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans159.4-179.1-179.300000113.9W341 L509W341-G497 CarbonylContact O-C 3.45Å; W341-G497 WeakPolarHBondContact O-CA 3.37Å; G497-L509 PolarHBondContact O-N 2.82Å
498I98.4Very high97.1Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-145.9133.9-177.9-173.7169.2000110.5V340 W341 I462 L463 Y466 L506 L508V340-I498 WeakPolarHBondContact CA-O 3.5Å; V340-I498 WeakPolarHBondContact CG2-O 3.21Å; W341-I498 HydrophobicContact CB-CG2 4.43Å; W341-I498 HydrophobicContact CE3-CG2 3.99Å; W341-I498 PolarHBondContact N-O 2.94Å; W341-I498 PolarHBondContact O-N 3.12Å; I462-I498 HydrophobicContact CG2-CB 4.37Å; I462-I498 HydrophobicContact CG2-CD1 4.35Å; L463-I498 HydrophobicContact CB-CD1 3.93Å; L463-I498 HydrophobicContact CD1-CD1 4.33Å; L463-I498 HydrophobicContact CD1-CG2 4.27Å; Y466-I498 HydrophobicContact CD2-CG2 3.99Å; Y466-I498 HydrophobicContact CG-CG2 4.5Å; I498-L506 HydrophobicContact CD1-CB 4.29Å; I498-L506 HydrophobicContact CD1-CD1 4.35Å; I498-L506 HydrophobicContact CD1-CD2 4.34Å; I498-L508 HydrophobicContact CB-CD2 4.14Å; I498-L508 HydrophobicContact CD1-CD2 3.79Å; I498-L508 HydrophobicContact CG1-CD2 3.94Å
499E97.1Very high97.1Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-97.3136.1170.4-38.6176112.300109.7Y330 V337 V340 K501 L506 C507 L509 R537Y330-E499 HydrophobicContact CE1-CG 4.41Å; Y330-E499 WeakPolarHBondContact CE1-OE1 3.47Å; Y330-E499 VanDerWaalsContact CZ-OE1 3.3Å; Y330-E499 PolarHBondContact OH-OE1 3.15Å; V337-E499 HydrophobicContact CG2-CB 4.24Å; V337-E499 HydrophobicContact CG2-CG 4.49Å; V340-E499 HydrophobicContact CG2-CG 4.14Å; E499-K501 IonicContact OE1-NZ 3.96Å; E499-K501 PolarHBondContact OE1-NZ 3.35Å; E499-K501 WeakPolarHBondContact OE2-CE 3.45Å; E499-K501 IonicContact OE2-NZ 3.84Å; E499-K501 PolarHBondContact OE2-NZ 3.46Å; E499-L506 WeakPolarHBondContact O-CA 3.39Å; E499-C507 HydrophobicContact CB-CB 4.2Å; E499-C507 HydrophobicContact CG-CB 4.46Å; E499-C507 PolarHBondContact N-O 3.42Å; E499-C507 PolarHBondContact O-N 3.2Å; E499-C507 WeakPolarHBondContact OE2-CB 3.4Å; E499-C507 PolarHBondContact OE2-SG 3.18Å; E499-L509 HydrophobicContact CG-CD1 4.23Å; E499-L509 HydrophobicContact CG-CD2 3.8Å; E499-L509 HydrophobicContact CG-CG 4.08Å; E499-R537 VanDerWaalsContact CD-NE 3.3Å; E499-R537 IonicContact OE1-CZ 2.67Å; E499-R537 IonicContact OE1-NE 2.71Å; E499-R537 PolarHBondContact OE1-NE 3.17Å; E499-R537 IonicContact OE1-NH2 2.9Å; E499-R537 PolarHBondContact OE1-NH2 2.81Å; E499-R537 IonicContact OE2-CZ 3.09Å; E499-R537 IonicContact OE2-NE 2.74Å; E499-R537 PolarHBondContact OE2-NE 3.02Å
500E96.3Very high97.2Very high25 Ų2527.1 Ų27.112%0.11716%0.156CC..EExtended strand (participates in β ladder)trans-100.7125.1157.8-175.3-175-15300109.2R338 Q339 W341 L506R338-E500 VanDerWaalsContact CZ-CD 3.47Å; R338-E500 IonicContact CZ-OE1 3.92Å; R338-E500 VanDerWaalsContact CZ-OE1 3.28Å; R338-E500 IonicContact CZ-OE2 2.75Å; R338-E500 PolarHBondContact N-O 3.06Å; R338-E500 VanDerWaalsContact NE-CD 3.27Å; R338-E500 IonicContact NE-OE1 2.68Å; R338-E500 IonicContact NE-OE2 3.67Å; R338-E500 PolarHBondContact NE-OE2 3.16Å; R338-E500 IonicContact NH2-OE1 2.71Å; R338-E500 PolarHBondContact NH2-OE1 3.1Å; R338-E500 IonicContact NH2-OE2 3.95Å; R338-E500 PolarHBondContact NH2-OE2 3.44Å; Q339-E500 PolarHBondContact N-O 2.94Å; Q339-E500 PolarHBondContact O-N 3.25Å; W341-E500 HydrophobicContact CH2-CB 4.18Å; W341-E500 HydrophobicContact CZ3-CB 3.85Å; E500-L506 HydrophobicContact CB-CD2 4Å; E500-L506 HydrophobicContact CG-CD2 4.08Å
501K95.1Very high97.3Very high21 Ų2125.4 Ų25.49%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-84158.2178.9-61-60.8177.7-177.20111.6D336 V337 E499 N503 G504 T505D336-K501 IonicContact OD1-NZ 2.7Å; D336-K501 WeakPolarHBondContact OD2-CD 3.49Å; D336-K501 WeakPolarHBondContact OD2-CE 3.32Å; D336-K501 IonicContact OD2-NZ 2.84Å; D336-K501 PolarHBondContact OD2-NZ 3Å; V337-K501 HydrophobicContact CG2-CD 4.14Å; E499-K501 IonicContact OE1-NZ 3.96Å; E499-K501 PolarHBondContact OE1-NZ 3.35Å; E499-K501 WeakPolarHBondContact OE2-CE 3.45Å; E499-K501 IonicContact OE2-NZ 3.84Å; E499-K501 PolarHBondContact OE2-NZ 3.46Å; K501-N503 WeakPolarHBondContact CB-OD1 3.37Å; K501-N503 PolarHBondContact O-N 2.82Å; K501-G504 PolarHBondContact O-N 2.98Å; K501-T505 WeakPolarHBondContact CB-O 3.49Å; K501-T505 WeakPolarHBondContact CG-O 3.39Å; K501-T505 PolarHBondContact N-O 3.21Å
502K94.9Very high97.3Very high147 Ų14725.4 Ų25.464%0.63914%0.14SC*.THydrogen-bonded Turntrans-59.5-16176.8-73.9177.2174.1174.50115T335 D336 R338T335-K502 VanDerWaalsContact O-CE 3.24Å; T335-K502 WeakPolarHBondContact O-CE 3.23Å; T335-K502 PolarHBondContact O-NZ 3.34Å; D336-K502 PolarHBondContact O-N 2.64Å; R338-K502 HydrophobicContact CB-CG 4.28Å
503N94.2Very high97.3Very high119 Ų11925.5 Ų25.564%0.63614%0.14SC*.THydrogen-bonded Turntrans-96.112.6172.767.7-7.1000113.8K501 T505K501-N503 WeakPolarHBondContact CB-OD1 3.37Å; K501-N503 PolarHBondContact O-N 2.82Å; N503-T505 VanDerWaalsContact C-N 3.29Å; N503-T505 PolarHBondContact O-N 3.04Å; N503-T505 PolarHBondContact OD1-N 3.36Å; N503-T505 PolarHBondContact OD1-OG1 3.49Å
504G92.3Very high97.2Very high49 Ų4927.1 Ų27.151%0.50516%0.164SC..SBendtrans76.15.6-179.900000115.3K501K501-G504 PolarHBondContact O-N 2.98Å
505T95.3Very high97Very high60 Ų6027.9 Ų27.937%0.36817%0.169SC..  trans-83.5140.4177.162.20000111.9K501 N503K501-T505 WeakPolarHBondContact CB-O 3.49Å; K501-T505 WeakPolarHBondContact CG-O 3.39Å; K501-T505 PolarHBondContact N-O 3.21Å; N503-T505 VanDerWaalsContact C-N 3.29Å; N503-T505 PolarHBondContact O-N 3.04Å; N503-T505 PolarHBondContact OD1-N 3.36Å; N503-T505 PolarHBondContact OD1-OG1 3.49Å
506L97.4Very high96.8Very high24 Ų2429.4 Ų29.413%0.12618%0.18CC..EExtended strand (participates in β ladder)trans-95.2142.9179-60.9177.4000111.8F459 L463 I498 E499 E500F459-L506 HydrophobicContact CB-CB 4.3Å; F459-L506 HydrophobicContact CB-CD1 4.03Å; F459-L506 HydrophobicContact CD1-CB 3.81Å; L463-L506 HydrophobicContact CB-CD1 4.35Å; L463-L506 HydrophobicContact CD1-CD2 4.28Å; L463-L506 HydrophobicContact CD2-CD1 4.06Å; L463-L506 HydrophobicContact CD2-CD2 4.08Å; I498-L506 HydrophobicContact CD1-CB 4.29Å; I498-L506 HydrophobicContact CD1-CD1 4.35Å; I498-L506 HydrophobicContact CD1-CD2 4.34Å; E499-L506 WeakPolarHBondContact O-CA 3.39Å; E500-L506 HydrophobicContact CB-CD2 4Å; E500-L506 HydrophobicContact CG-CD2 4.08Å
507C97.9Very high96.6Very high11 Ų1130.5 Ų30.57%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-142116.2-177.3-178.70000110.2E499E499-C507 HydrophobicContact CB-CB 4.2Å; E499-C507 HydrophobicContact CG-CB 4.46Å; E499-C507 PolarHBondContact N-O 3.42Å; E499-C507 PolarHBondContact O-N 3.2Å; E499-C507 WeakPolarHBondContact OE2-CB 3.4Å; E499-C507 PolarHBondContact OE2-SG 3.18Å
508L98.6Very high96.4Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-76.2147.7179.1-61.2178.2000111.1F459 I462 V495 I498 I510 R537 K538 L543F459-L508 HydrophobicContact CD1-CD1 4.46Å; F459-L508 HydrophobicContact CD1-CD2 4.31Å; F459-L508 HydrophobicContact CD1-CG 3.93Å; F459-L508 HydrophobicContact CD2-CD1 4.32Å; F459-L508 HydrophobicContact CE1-CB 4.49Å; F459-L508 HydrophobicContact CE1-CD1 4.13Å; F459-L508 HydrophobicContact CE1-CD2 4.49Å; F459-L508 HydrophobicContact CE1-CG 3.65Å; F459-L508 HydrophobicContact CE2-CD1 3.96Å; F459-L508 HydrophobicContact CE2-CG 4.38Å; F459-L508 HydrophobicContact CG-CG 4.43Å; F459-L508 HydrophobicContact CZ-CD1 3.84Å; F459-L508 HydrophobicContact CZ-CG 3.87Å; I462-L508 HydrophobicContact CB-CD2 4.05Å; I462-L508 HydrophobicContact CD1-CD1 3.77Å; I462-L508 HydrophobicContact CD1-CD2 3.82Å; I462-L508 HydrophobicContact CD1-CG 4.47Å; I462-L508 HydrophobicContact CG2-CD2 3.66Å; V495-L508 HydrophobicContact CG1-CB 4.31Å; V495-L508 HydrophobicContact CG1-CD2 4.16Å; I498-L508 HydrophobicContact CB-CD2 4.14Å; I498-L508 HydrophobicContact CD1-CD2 3.79Å; I498-L508 HydrophobicContact CG1-CD2 3.94Å; L508-I510 HydrophobicContact CB-CD1 3.81Å; L508-I510 HydrophobicContact CB-CG1 3.71Å; L508-I510 HydrophobicContact CD1-CD1 3.96Å; L508-R537 CarbonylContact O-C 3.57Å; L508-R537 WeakPolarHBondContact O-CA 3.47Å; L508-K538 PolarHBondContact N-O 3.48Å; L508-K538 PolarHBondContact O-N 2.92Å; L508-L543 HydrophobicContact CD1-CD2 3.88Å
509L98.5Very high96.2Very high0 Ų040.9 Ų40.90%023%0.228CC..EExtended strand (participates in β ladder)trans-104.6109.8171.3-58.2-178.5000108.2Y330 V340 L342 V495 I496 G497 E499 L536 R537Y330-L509 HydrophobicContact CE2-CD1 3.91Å; Y330-L509 WeakPolarHBondContact OH-CD1 3.2Å; Y330-L509 WeakPolarHBondContact OH-CD2 3.45Å; V340-L509 HydrophobicContact CG2-CD1 4.04Å; L342-L509 HydrophobicContact CD2-CD1 3.57Å; V495-L509 WeakPolarHBondContact CA-O 3.17Å; I496-L509 HydrophobicContact CD1-CB 4.35Å; I496-L509 HydrophobicContact CG1-CB 3.96Å; I496-L509 WeakPolarHBondContact CG1-O 3.31Å; I496-L509 PolarHBondContact N-O 2.93Å; G497-L509 PolarHBondContact O-N 2.82Å; E499-L509 HydrophobicContact CG-CD1 4.23Å; E499-L509 HydrophobicContact CG-CD2 3.8Å; E499-L509 HydrophobicContact CG-CG 4.08Å; L509-L536 HydrophobicContact CB-CD1 4.32Å; L509-L536 HydrophobicContact CB-CD2 4.16Å; L509-L536 HydrophobicContact CB-CG 4.01Å; L509-L536 HydrophobicContact CD2-CD2 3.97Å; L509-L536 HydrophobicContact CD2-CG 4.05Å; L509-L536 HydrophobicContact CG-CD2 4.44Å; L509-R537 HydrophobicContact CD2-CG 3.83Å
510I98.7Very high96.1Very high4 Ų441.3 Ų41.32%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-124.6115.6-166.5-52.3-161.9000111.3L486 R493 T494 V495 L508 L536 K538 L543L486-I510 HydrophobicContact CD2-CD1 3.86Å; R493-I510 HydrophobicContact CB-CG2 3.53Å; R493-I510 HydrophobicContact CG-CG2 4.25Å; T494-I510 CarbonylContact O-C 3.07Å; T494-I510 WeakPolarHBondContact O-CA 3.49Å; V495-I510 HydrophobicContact CG1-CG1 4.46Å; V495-I510 HydrophobicContact CG2-CD1 3.96Å; V495-I510 HydrophobicContact CG2-CG1 4.07Å; L508-I510 HydrophobicContact CB-CD1 3.81Å; L508-I510 HydrophobicContact CB-CG1 3.71Å; L508-I510 HydrophobicContact CD1-CD1 3.96Å; I510-L536 PolarHBondContact N-O 3.28Å; I510-K538 HydrophobicContact CB-CG 4.02Å; I510-K538 HydrophobicContact CD1-CB 4.08Å; I510-K538 HydrophobicContact CD1-CG 3.8Å; I510-K538 HydrophobicContact CG1-CB 4.33Å; I510-K538 HydrophobicContact CG1-CG 3.84Å; I510-L543 HydrophobicContact CD1-CD1 4.38Å
511F98.6Very high96Very high1 Ų144.8 Ų44.80%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-72.4140.6165.7-78.13.3000110.7I322 V346 H348 M367 R493 T494 I496 M520 L536I322-F511 HydrophobicContact CB-CE1 4.5Å; I322-F511 HydrophobicContact CB-CZ 3.85Å; I322-F511 HydrophobicContact CD1-CE1 4.32Å; I322-F511 HydrophobicContact CD1-CE2 4.13Å; I322-F511 HydrophobicContact CD1-CZ 3.68Å; I322-F511 HydrophobicContact CG1-CZ 4.4Å; I322-F511 HydrophobicContact CG2-CE1 3.79Å; I322-F511 HydrophobicContact CG2-CZ 3.62Å; V346-F511 HydrophobicContact CB-CE2 4.12Å; V346-F511 HydrophobicContact CG1-CD2 4.19Å; V346-F511 HydrophobicContact CG1-CE2 3.97Å; H348-F511 HydrophobicContact CB-CD2 3.94Å; H348-F511 HydrophobicContact CB-CE2 3.87Å; H348-F511 AromaticContact CD2-CD2 3.94Å; H348-F511 AromaticContact CD2-CG 3.97Å; M367-F511 HydrophobicContact CE-CB 4.32Å; M367-F511 HydrophobicContact SD-CB 3.91Å; M367-F511 HydrophobicContact SD-CD2 3.81Å; M367-F511 HydrophobicContact SD-CG 4.35Å; R493-F511 WeakPolarHBondContact CB-O 3.15Å; T494-F511 PolarHBondContact N-O 3.5Å; T494-F511 PolarHBondContact O-N 3.43Å; I496-F511 HydrophobicContact CD1-CD1 4.02Å; I496-F511 HydrophobicContact CD1-CE1 3.43Å; I496-F511 VanDerWaalsContact CD1-CE1 3.43Å; I496-F511 HydrophobicContact CD1-CZ 3.76Å; I496-F511 HydrophobicContact CG1-CD1 4.09Å; I496-F511 HydrophobicContact CG1-CE1 4.01Å; I496-F511 HydrophobicContact CG1-CZ 4.41Å; I496-F511 HydrophobicContact CG2-CB 4.46Å; I496-F511 HydrophobicContact CG2-CD1 4.17Å; I496-F511 HydrophobicContact CG2-CD2 3.64Å; I496-F511 HydrophobicContact CG2-CE1 4.31Å; I496-F511 HydrophobicContact CG2-CE2 3.8Å; I496-F511 HydrophobicContact CG2-CG 3.83Å; I496-F511 HydrophobicContact CG2-CZ 4.12Å; F511-M520 HydrophobicContact CD1-CE 3.77Å; F511-M520 HydrophobicContact CE1-CE 3.73Å; F511-M520 HydrophobicContact CG-CE 4.37Å; F511-M520 HydrophobicContact CZ-CE 4.29Å; F511-L536 HydrophobicContact CD1-CD1 3.62Å; F511-L536 HydrophobicContact CE1-CD1 3.86Å
512D98.1Very high95.9Very high47 Ų4746.6 Ų46.625%0.25125%0.254SS..  trans-125.9124.9179.9-165.1-44.1000109.3H348 H491 R493 G514 C515H348-D512 PolarHBondContact NE2-O 3.36Å; H491-D512 IonicContact CD2-OD2 2.74Å; H491-D512 IonicContact CE1-OD1 2.71Å; H491-D512 IonicContact NE2-OD1 2.78Å; H491-D512 PolarHBondContact NE2-OD1 2.72Å; H491-D512 IonicContact NE2-OD2 3.06Å; H491-D512 PolarHBondContact NE2-OD2 2.93Å; R493-D512 WeakPolarHBondContact CD-OD2 3.33Å; R493-D512 HydrophobicContact CG-CB 4.28Å; D512-G514 PolarHBondContact O-N 3.41Å; D512-G514 WeakPolarHBondContact OD1-CA 3.29Å; D512-G514 PolarHBondContact OD1-N 2.85Å; D512-C515 HydrophobicContact CB-CB 4.47Å; D512-C515 VanDerWaalsContact O-CB 3.23Å; D512-C515 WeakPolarHBondContact O-CB 3.3Å; D512-C515 PolarHBondContact O-N 3.42Å
513P98Very high95.8Very high2 Ų240 Ų401%0.01323%0.226CC..THydrogen-bonded Turntrans-72.2-6.5178.430.4-35.3000113.2H350 S351 C360 R363 N364 M367 C515H350-P513 CarbonylContact C-O 3.53Å; H350-P513 VanDerWaalsContact CA-O 3.25Å; H350-P513 WeakPolarHBondContact CA-O 3.49Å; H350-P513 WeakPolarHBondContact CB-O 3.46Å; S351-P513 PolarHBondContact N-O 3.24Å; C360-P513 HydrophobicContact CB-CG 3.99Å; R363-P513 HydrophobicContact CB-CB 3.49Å; R363-P513 VanDerWaalsContact CB-CB 3.49Å; R363-P513 HydrophobicContact CB-CG 4.31Å; R363-P513 HydrophobicContact CG-CB 4.16Å; N364-P513 WeakPolarHBondContact OD1-CD 3.32Å; M367-P513 HydrophobicContact CE-CB 4.3Å; P513-C515 VanDerWaalsContact C-N 3.34Å
514G96.3Very high95.7Very high58 Ų5836.6 Ų36.660%0.59821%0.208SC*.THydrogen-bonded Turntrans-79.4-11.6165.700000114.3D512D512-G514 PolarHBondContact O-N 3.41Å; D512-G514 WeakPolarHBondContact OD1-CA 3.29Å; D512-G514 PolarHBondContact OD1-N 2.85Å
515C95.6Very high95.5Very high17 Ų1739.1 Ų39.112%0.11520%0.204CC..SBendtrans-81.5119179.7-163.20000110.7H348 H350 D512 P513 E519 M520H348-C515 PolarHBondContact CE1-O 3.44Å; H348-C515 VanDerWaalsContact CE1-O 3.25Å; H350-C515 WeakPolarHBondContact CB-O 3.3Å; D512-C515 HydrophobicContact CB-CB 4.47Å; D512-C515 VanDerWaalsContact O-CB 3.23Å; D512-C515 WeakPolarHBondContact O-CB 3.3Å; D512-C515 PolarHBondContact O-N 3.42Å; P513-C515 VanDerWaalsContact C-N 3.34Å; C515-E519 VanDerWaalsContact SG-CB 3.59Å; C515-M520 HydrophobicContact CB-CG 4.37Å; C515-M520 HydrophobicContact CB-SD 4.05Å
516P95.2Very high94.7Very high33 Ų3345.5 Ų45.521%0.21423%0.23CC..  trans-78.5152.5-177.631.8-34.3000111.8R518 E519P516-R518 HydrophobicContact CB-CG 4.45Å; P516-R518 HydrophobicContact CG-CG 4.14Å; P516-R518 PolarHBondContact O-N 3.43Å; P516-E519 HydrophobicContact CG-CG 4.02Å; P516-E519 PolarHBondContact O-N 2.85Å
517S94.4Very high93.8Very high23 Ų2351 Ų5116%0.16126%0.26CS..Hα-helixtrans-50.8-36.3-174.2-59.60000114T319 H350 E519 M520 Q521T319-S517 WeakPolarHBondContact OG1-CB 3.36Å; T319-S517 PolarHBondContact OG1-OG 3.2Å; H350-S517 PolarHBondContact CD2-N 2.96Å; H350-S517 PolarHBondContact CD2-OG 2.89Å; H350-S517 PolarHBondContact NE2-N 3.24Å; H350-S517 PolarHBondContact NE2-OG 3.08Å; S517-E519 PolarHBondContact O-N 3.13Å; S517-E519 VanDerWaalsContact O-N 3.1Å; S517-M520 PolarHBondContact O-N 2.9Å; S517-M520 VanDerWaalsContact O-N 3.14Å; S517-Q521 VanDerWaalsContact O-CB 3.3Å; S517-Q521 WeakPolarHBondContact O-CB 3.14Å; S517-Q521 WeakPolarHBondContact O-CG 3.35Å; S517-Q521 PolarHBondContact O-N 3.44Å
518R93.9Very high92.9Very high180 Ų18051.3 Ų51.368%0.67926%0.261SS*.Hα-helixtrans-57.9-24177.370.6170.6-173.1-89.9-5.1115.2P516P516-R518 HydrophobicContact CB-CG 4.45Å; P516-R518 HydrophobicContact CG-CG 4.14Å; P516-R518 PolarHBondContact O-N 3.43Å
519E93.9Very high91.9Very high37 Ų3755.3 Ų55.317%0.17328%0.28CS..Hα-helixtrans-86.6-45.1175.4-64.4-60.6122.500110C515 P516 S517 Q521 K522 Q535C515-E519 VanDerWaalsContact SG-CB 3.59Å; P516-E519 HydrophobicContact CG-CG 4.02Å; P516-E519 PolarHBondContact O-N 2.85Å; S517-E519 PolarHBondContact O-N 3.13Å; S517-E519 VanDerWaalsContact O-N 3.1Å; E519-Q521 VanDerWaalsContact C-N 3.32Å; E519-Q521 PolarHBondContact O-N 2.84Å; E519-K522 VanDerWaalsContact O-CB 3.23Å; E519-K522 WeakPolarHBondContact O-CB 3.19Å; E519-K522 WeakPolarHBondContact O-CG 3.22Å; E519-K522 PolarHBondContact O-N 3.35Å; E519-K522 WeakPolarHBondContact OE1-CE 3.36Å; E519-K522 IonicContact OE1-NZ 3.86Å; E519-K522 PolarHBondContact OE1-NZ 3.01Å; E519-K522 IonicContact OE2-NZ 3.71Å; E519-K522 PolarHBondContact OE2-NZ 3.26Å; E519-Q535 PolarHBondContact OE2-NE2 2.96Å
520M94.6Very high90.7Very high10 Ų1058.8 Ų58.85%0.04931%0.309CS..Hα-helixtrans-63.2-36.7177.9-59.8-57.7-66.400112.6T319 I322 H348 F511 C515 S517 K522 L523T319-M520 HydrophobicContact CG2-CB 4.03Å; I322-M520 HydrophobicContact CD1-CE 3.74Å; H348-M520 HydrophobicContact CB-CE 4.23Å; F511-M520 HydrophobicContact CD1-CE 3.77Å; F511-M520 HydrophobicContact CE1-CE 3.73Å; F511-M520 HydrophobicContact CG-CE 4.37Å; F511-M520 HydrophobicContact CZ-CE 4.29Å; C515-M520 HydrophobicContact CB-CG 4.37Å; C515-M520 HydrophobicContact CB-SD 4.05Å; S517-M520 PolarHBondContact O-N 2.9Å; S517-M520 VanDerWaalsContact O-N 3.14Å; M520-K522 PolarHBondContact O-N 2.84Å; M520-K522 VanDerWaalsContact O-N 3.14Å; M520-L523 HydrophobicContact CE-CD1 3.95Å; M520-L523 VanDerWaalsContact O-CB 3.27Å; M520-L523 WeakPolarHBondContact O-CB 3.23Å; M520-L523 PolarHBondContact O-N 2.93Å; M520-L523 HydrophobicContact SD-CD1 4.41Å
521Q93.7Very high89.7Confident98 Ų9861.9 Ų61.946%0.45833%0.331SS..G310 helixtrans-59.7-20.9173.4-70.8-78.8-26.400113T319 S517 E519 L523 L524T319-Q521 HydrophobicContact CG2-CG 4.44Å; S517-Q521 VanDerWaalsContact O-CB 3.3Å; S517-Q521 WeakPolarHBondContact O-CB 3.14Å; S517-Q521 WeakPolarHBondContact O-CG 3.35Å; S517-Q521 PolarHBondContact O-N 3.44Å; E519-Q521 VanDerWaalsContact C-N 3.32Å; E519-Q521 PolarHBondContact O-N 2.84Å; Q521-L523 PolarHBondContact O-N 3.48Å; Q521-L524 PolarHBondContact O-N 2.96Å
522K93.8Very high89Confident59 Ų5962 Ų6226%0.25733%0.332SS..G310 helixtrans-67.8-26.3172.5-57.2174.6-173.21720112.3E519 M520 L524 S532E519-K522 VanDerWaalsContact O-CB 3.23Å; E519-K522 WeakPolarHBondContact O-CB 3.19Å; E519-K522 WeakPolarHBondContact O-CG 3.22Å; E519-K522 PolarHBondContact O-N 3.35Å; E519-K522 WeakPolarHBondContact OE1-CE 3.36Å; E519-K522 IonicContact OE1-NZ 3.86Å; E519-K522 PolarHBondContact OE1-NZ 3.01Å; E519-K522 IonicContact OE2-NZ 3.71Å; E519-K522 PolarHBondContact OE2-NZ 3.26Å; M520-K522 PolarHBondContact O-N 2.84Å; M520-K522 VanDerWaalsContact O-N 3.14Å; K522-L524 VanDerWaalsContact C-N 3.26Å; K522-L524 PolarHBondContact O-N 2.59Å; K522-S532 WeakPolarHBondContact CB-OG 3.15Å
523L92.3Very high88.4Confident7 Ų759.8 Ų59.84%0.03732%0.32CS..G310 helixtrans-74-16.9175.2-55.7174.9000112.6I322 A325 M520 Q521 V528I322-L523 HydrophobicContact CG2-CB 4.38Å; I322-L523 HydrophobicContact CG2-CD1 3.95Å; A325-L523 VanDerWaalsContact CB-O 3.25Å; A325-L523 WeakPolarHBondContact CB-O 3.37Å; M520-L523 HydrophobicContact CE-CD1 3.95Å; M520-L523 VanDerWaalsContact O-CB 3.27Å; M520-L523 WeakPolarHBondContact O-CB 3.23Å; M520-L523 PolarHBondContact O-N 2.93Å; M520-L523 HydrophobicContact SD-CD1 4.41Å; Q521-L523 PolarHBondContact O-N 3.48Å; L523-V528 HydrophobicContact CD2-CG1 3.98Å; L523-V528 WeakPolarHBondContact O-CG2 3.45Å
524L92.5Very high87.8Confident49 Ų4967.6 Ų67.626%0.25735%0.354SS..G310 helixtrans-88.3-9.7179.5-56.6-176000113.4T319 S320 G321 I322 A325 Q521 K522T319-L524 HydrophobicContact CG2-CD1 3.99Å; S320-L524 WeakPolarHBondContact O-CD1 3.42Å; G321-L524 WeakPolarHBondContact O-CD2 3.3Å; I322-L524 HydrophobicContact CB-CD2 4.42Å; I322-L524 HydrophobicContact CG1-CD2 3.92Å; A325-L524 HydrophobicContact CB-CD2 3.99Å; Q521-L524 PolarHBondContact O-N 2.96Å; K522-L524 VanDerWaalsContact C-N 3.26Å; K522-L524 PolarHBondContact O-N 2.59Å
525K89.2Confident87.4Confident101 Ų10168.9 Ų68.944%0.43934%0.344SS..SBendtrans-59.2151.3170.8-64.7-179.3179.7-174.70110.6V528 E529K525-V528 WeakPolarHBondContact O-CG2 3.3Å; K525-E529 IonicContact NZ-OE1 3.78Å; K525-E529 PolarHBondContact NZ-OE1 3.3Å
526Q76.9Confident87.3Confident195 Ų19568.3 Ų68.391%0.91134%0.34SS*.SBendtrans-61.1-50.2174.2-71.1179.4-21.400111.3V528Q526-V528 PolarHBondContact O-N 3.08Å
527D79.9Confident87.3Confident140 Ų14068.7 Ų68.775%0.74934%0.337SS*.SBendtrans-8994171.3-65-52.3000110.3E529D527-E529 PolarHBondContact O-N 2.86Å; D527-E529 VanDerWaalsContact O-N 3.12Å
528V78.6Confident87.5Confident17 Ų1769.6 Ų69.610%0.10334%0.338CS..  trans-72.5104.6177-175.10000109.9Y329 L523 K525 Q526 A530 L533Y329-V528 HydrophobicContact CD2-CB 3.98Å; Y329-V528 HydrophobicContact CG-CB 4.36Å; L523-V528 HydrophobicContact CD2-CG1 3.98Å; L523-V528 WeakPolarHBondContact O-CG2 3.45Å; K525-V528 WeakPolarHBondContact O-CG2 3.3Å; Q526-V528 PolarHBondContact O-N 3.08Å; V528-A530 PolarHBondContact O-N 3.29Å; V528-L533 HydrophobicContact CB-CD1 4.35Å; V528-L533 HydrophobicContact CG1-CD1 3.66Å; V528-L533 HydrophobicContact CG1-CD2 4.4Å; V528-L533 HydrophobicContact CG1-CG 3.75Å
529E77.3Confident87.6Confident83 Ų8363.4 Ų63.439%0.38832%0.322SS..  trans-56.3131.7178.6-56.5168-140.100111.6K525 D527 S531 S532 L533K525-E529 IonicContact NZ-OE1 3.78Å; K525-E529 PolarHBondContact NZ-OE1 3.3Å; D527-E529 PolarHBondContact O-N 2.86Å; D527-E529 VanDerWaalsContact O-N 3.12Å; E529-S531 WeakPolarHBondContact CB-OG 3.41Å; E529-S531 PolarHBondContact O-N 3.05Å; E529-S531 VanDerWaalsContact O-N 3.08Å; E529-S531 PolarHBondContact OE2-OG 3.42Å; E529-S531 VanDerWaalsContact OE2-OG 3.05Å; E529-S532 WeakPolarHBondContact O-CB 3.44Å; E529-S532 PolarHBondContact O-N 2.9Å; E529-L533 PolarHBondContact O-N 3.42Å
530A74.3Confident87.6Confident74 Ų7464.5 Ų64.561%0.61233%0.328SS*.Hα-helixtrans-59.8-23.6178.700000113.5V528 K534V528-A530 PolarHBondContact O-N 3.29Å; A530-K534 PolarHBondContact O-N 2.99Å
531S77.1Confident87.6Confident69 Ų6966 Ų6648%0.48335%0.346SS..Hα-helixtrans-58.2-43.3169.253.60000112.6E529 K534E529-S531 WeakPolarHBondContact CB-OG 3.41Å; E529-S531 PolarHBondContact O-N 3.05Å; E529-S531 VanDerWaalsContact O-N 3.08Å; E529-S531 PolarHBondContact OE2-OG 3.42Å; E529-S531 VanDerWaalsContact OE2-OG 3.05Å; S531-K534 WeakPolarHBondContact O-CB 3.43Å; S531-K534 PolarHBondContact O-N 3.2Å
532S82.4Confident87.8Confident4 Ų465.7 Ų65.73%0.02835%0.348CS..Hα-helixtrans-73.7-42.1-177.3-59.20000110.7K522 E529 K534 Q535K522-S532 WeakPolarHBondContact CB-OG 3.15Å; E529-S532 WeakPolarHBondContact O-CB 3.44Å; E529-S532 PolarHBondContact O-N 2.9Å; S532-K534 PolarHBondContact O-N 2.82Å; S532-Q535 WeakPolarHBondContact O-CB 3.34Å; S532-Q535 PolarHBondContact O-N 3.33Å
533L86.5Confident87.9Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-61.3-26.5173.8-76.5153.1000113.4L326 Y329 V528 E529 Q535 L536 R537L326-L533 HydrophobicContact CD2-CD2 3.75Å; Y329-L533 HydrophobicContact CD1-CD1 3.92Å; Y329-L533 HydrophobicContact CD1-CD2 4.1Å; Y329-L533 HydrophobicContact CD2-CD1 3.95Å; Y329-L533 HydrophobicContact CE1-CD1 3.46Å; Y329-L533 VanDerWaalsContact CE1-CD1 3.46Å; Y329-L533 HydrophobicContact CE1-CD2 4.01Å; Y329-L533 HydrophobicContact CE1-CG 4.39Å; Y329-L533 HydrophobicContact CE2-CD1 3.5Å; Y329-L533 VanDerWaalsContact CE2-CD1 3.5Å; Y329-L533 HydrophobicContact CG-CD1 4.16Å; V528-L533 HydrophobicContact CB-CD1 4.35Å; V528-L533 HydrophobicContact CG1-CD1 3.66Å; V528-L533 HydrophobicContact CG1-CD2 4.4Å; V528-L533 HydrophobicContact CG1-CG 3.75Å; E529-L533 PolarHBondContact O-N 3.42Å; L533-Q535 PolarHBondContact O-N 3.33Å; L533-L536 HydrophobicContact CD2-CD2 4.47Å; L533-L536 PolarHBondContact O-N 2.99Å; L533-R537 VanDerWaalsContact O-CB 3.31Å; L533-R537 WeakPolarHBondContact O-CB 3.38Å; L533-R537 VanDerWaalsContact O-CG 3.29Å; L533-R537 WeakPolarHBondContact O-CG 3.41Å; L533-R537 PolarHBondContact O-N 2.68Å
534K86.3Confident88.1Confident166 Ų16667.3 Ų67.372%0.72236%0.355SS*.Hα-helixtrans-67-23.4173.1-170.5177.9176.6-178.10112.8A530 S531 S532A530-K534 PolarHBondContact O-N 2.99Å; S531-K534 WeakPolarHBondContact O-CB 3.43Å; S531-K534 PolarHBondContact O-N 3.2Å; S532-K534 PolarHBondContact O-N 2.82Å
535Q86.9Confident88.4Confident84 Ų8469 Ų6939%0.39336%0.361SS..Hα-helixtrans-73.2-36.8171.8-57.7-173.312.100111.6E519 S532 L533 K538E519-Q535 PolarHBondContact OE2-NE2 2.96Å; S532-Q535 WeakPolarHBondContact O-CB 3.34Å; S532-Q535 PolarHBondContact O-N 3.33Å; L533-Q535 PolarHBondContact O-N 3.33Å; Q535-K538 WeakPolarHBondContact O-CE 3.48Å; Q535-K538 PolarHBondContact O-NZ 3.37Å
536L93.7Very high88.8Confident6 Ų673.2 Ų73.23%0.03138%0.38CS..Hα-helixtrans-76.8-46.4178.6-177.469.3000112.9L326 I496 L509 I510 F511 L533L326-L536 HydrophobicContact CD1-CD2 3.68Å; L326-L536 HydrophobicContact CD2-CD2 3.62Å; L326-L536 HydrophobicContact CG-CD2 4.31Å; I496-L536 HydrophobicContact CD1-CD1 4.2Å; I496-L536 HydrophobicContact CG1-CD1 4.37Å; L509-L536 HydrophobicContact CB-CD1 4.32Å; L509-L536 HydrophobicContact CB-CD2 4.16Å; L509-L536 HydrophobicContact CB-CG 4.01Å; L509-L536 HydrophobicContact CD2-CD2 3.97Å; L509-L536 HydrophobicContact CD2-CG 4.05Å; L509-L536 HydrophobicContact CG-CD2 4.44Å; I510-L536 PolarHBondContact N-O 3.28Å; F511-L536 HydrophobicContact CD1-CD1 3.62Å; F511-L536 HydrophobicContact CE1-CD1 3.86Å; L533-L536 HydrophobicContact CD2-CD2 4.47Å; L533-L536 PolarHBondContact O-N 2.99Å
537R96.1Very high89.8Confident41 Ų4167.7 Ų67.716%0.15535%0.354CS..EExtended strand (participates in β ladder)trans-66.5132.1-175.4-76.1171.3165.8156.4-3.5112.4D336 E499 L508 L509 L533D336-R537 IonicContact OD1-NH2 3.28Å; E499-R537 VanDerWaalsContact CD-NE 3.3Å; E499-R537 IonicContact OE1-CZ 2.67Å; E499-R537 IonicContact OE1-NE 2.71Å; E499-R537 PolarHBondContact OE1-NE 3.17Å; E499-R537 IonicContact OE1-NH2 2.9Å; E499-R537 PolarHBondContact OE1-NH2 2.81Å; E499-R537 IonicContact OE2-CZ 3.09Å; E499-R537 IonicContact OE2-NE 2.74Å; E499-R537 PolarHBondContact OE2-NE 3.02Å; L508-R537 CarbonylContact O-C 3.57Å; L508-R537 WeakPolarHBondContact O-CA 3.47Å; L509-R537 HydrophobicContact CD2-CG 3.83Å; L533-R537 VanDerWaalsContact O-CB 3.31Å; L533-R537 WeakPolarHBondContact O-CB 3.38Å; L533-R537 VanDerWaalsContact O-CG 3.29Å; L533-R537 WeakPolarHBondContact O-CG 3.41Å; L533-R537 PolarHBondContact O-N 2.68Å
538K97.2Very high90.7Very high41 Ų4161 Ų6118%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-133.1109.9172.8-51.1-62.1154.5-145.20110.9F459 L508 I510 Q535 N542 L543F459-K538 WeakPolarHBondContact CE1-O 3.35Å; L508-K538 PolarHBondContact N-O 3.48Å; L508-K538 PolarHBondContact O-N 2.92Å; I510-K538 HydrophobicContact CB-CG 4.02Å; I510-K538 HydrophobicContact CD1-CB 4.08Å; I510-K538 HydrophobicContact CD1-CG 3.8Å; I510-K538 HydrophobicContact CG1-CB 4.33Å; I510-K538 HydrophobicContact CG1-CG 3.84Å; Q535-K538 WeakPolarHBondContact O-CE 3.48Å; Q535-K538 PolarHBondContact O-NZ 3.37Å; K538-N542 HydrophobicContact CB-CB 4.27Å; K538-N542 HydrophobicContact CD-CB 4.35Å; K538-L543 HydrophobicContact CB-CD1 3.59Å; K538-L543 HydrophobicContact CG-CD1 4.26Å
539S96.2Very high91.7Very high50 Ų5062.2 Ų62.235%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-74.8167.4169.672.40000111.3F459 G541 N542F459-S539 VanDerWaalsContact CZ-C 3.47Å; S539-G541 PolarHBondContact O-N 3.12Å; S539-G541 VanDerWaalsContact O-N 3.12Å; S539-G541 PolarHBondContact OG-N 3.08Å; S539-N542 PolarHBondContact N-OD1 3.1Å; S539-N542 WeakPolarHBondContact O-CB 3.4Å; S539-N542 PolarHBondContact O-N 3.11Å; S539-N542 PolarHBondContact OG-OD1 3.05Å
540M94.4Very high92.7Very high60 Ų6058.3 Ų58.330%0.29630%0.304SS..G310 helixtrans-51.8-33.8171-69.4-177-76.200112.8T454 P456 F459 N542 L543T454-M540 HydrophobicContact CG2-CB 4.28Å; T454-M540 WeakPolarHBondContact CG2-O 3.27Å; P456-M540 HydrophobicContact CB-SD 4.01Å; F459-M540 HydrophobicContact CD1-CG 3.81Å; F459-M540 HydrophobicContact CD2-CG 3.83Å; F459-M540 HydrophobicContact CE1-CG 3.82Å; F459-M540 HydrophobicContact CE2-CB 4.4Å; F459-M540 HydrophobicContact CE2-CG 3.86Å; F459-M540 HydrophobicContact CG-CG 3.82Å; F459-M540 VanDerWaalsContact CZ-CA 3.49Å; F459-M540 HydrophobicContact CZ-CB 4.29Å; F459-M540 HydrophobicContact CZ-CG 3.88Å; F459-M540 VanDerWaalsContact CZ-N 3.32Å; M540-N542 PolarHBondContact O-N 2.93Å; M540-L543 PolarHBondContact O-N 2.83Å
541G94.4Very high93.9Very high42 Ų4254.8 Ų54.843%0.43328%0.275SS..G310 helixtrans-65.2-15.8176.700000114.6S539 K544S539-G541 PolarHBondContact O-N 3.12Å; S539-G541 VanDerWaalsContact O-N 3.12Å; S539-G541 PolarHBondContact OG-N 3.08Å; G541-K544 WeakPolarHBondContact O-CE 3.45Å
542N96.6Very high94.9Very high91 Ų9151.5 Ų51.549%0.48725%0.252SS..G310 helixtrans-95.9-12.4178.4-54.1113.6000113.6K538 S539 M540K538-N542 HydrophobicContact CB-CB 4.27Å; K538-N542 HydrophobicContact CD-CB 4.35Å; S539-N542 PolarHBondContact N-OD1 3.1Å; S539-N542 WeakPolarHBondContact O-CB 3.4Å; S539-N542 PolarHBondContact O-N 3.11Å; S539-N542 PolarHBondContact OG-OD1 3.05Å; M540-N542 PolarHBondContact O-N 2.93Å
543L96.4Very high95.7Very high0 Ų051.5 Ų51.50%025%0.252CS..  trans-111.891.4179.1-86.771.8000109.7L458 F459 L486 L508 I510 K538 M540 Y548L458-L543 HydrophobicContact CD2-CD2 3.74Å; F459-L543 HydrophobicContact CE2-CB 4.2Å; F459-L543 HydrophobicContact CE2-CD2 3.97Å; F459-L543 HydrophobicContact CZ-CD1 4.42Å; F459-L543 HydrophobicContact CZ-CD2 4.35Å; L486-L543 HydrophobicContact CD2-CD2 4.1Å; L508-L543 HydrophobicContact CD1-CD2 3.88Å; I510-L543 HydrophobicContact CD1-CD1 4.38Å; K538-L543 HydrophobicContact CB-CD1 3.59Å; K538-L543 HydrophobicContact CG-CD1 4.26Å; M540-L543 PolarHBondContact O-N 2.83Å; L543-Y548 VanDerWaalsContact C-OH 3.3Å; L543-Y548 WeakPolarHBondContact CA-OH 3.45Å; L543-Y548 HydrophobicContact CB-CE2 4.11Å; L543-Y548 HydrophobicContact CD2-CE1 4.24Å; L543-Y548 HydrophobicContact CG-CE1 4.17Å
544K97.4Very high96.1Very high101 Ų10156.1 Ų56.144%0.43927%0.274SS..  trans-13215.2-174-61-165.7175.4-1540115L452 G453 G541 Y548L452-K544 WeakPolarHBondContact O-CE 3.24Å; L452-K544 PolarHBondContact O-NZ 3.43Å; G453-K544 WeakPolarHBondContact O-CA 3.43Å; G541-K544 WeakPolarHBondContact O-CE 3.45Å; K544-Y548 PolarHBondContact N-OH 3.08Å; K544-Y548 VanDerWaalsContact N-OH 3.14Å
545H98.2Very high96.6Very high85 Ų8549 Ų4939%0.39425%0.247SC..SBendtrans-64.7151.6167.5-70.1-104.6000109.1H455 H488 Q547 Y548H455-H545 PolarHBondContact NE2-O 2.92Å; H488-H545 HydrophobicContact CB-CB 3.92Å; H488-H545 AromaticContact CE1-CE1 3.5Å; H488-H545 PolarHBondContact CE1-CE1 2.88Å; H488-H545 VanDerWaalsContact CE1-CE1 3.5Å; H488-H545 AromaticContact CE1-ND1 3.93Å; H488-H545 AromaticContact CE1-NE2 3.59Å; H488-H545 AromaticContact CG-CG 3.82Å; H488-H545 AromaticContact CG-ND1 3.92Å; H488-H545 AromaticContact ND1-CD2 3.92Å; H488-H545 AromaticContact ND1-CE1 3.35Å; H488-H545 PolarHBondContact ND1-CE1 3.28Å; H488-H545 AromaticContact ND1-CG 3.68Å; H488-H545 AromaticContact ND1-ND1 3.32Å; H488-H545 PolarHBondContact ND1-ND1 2.82Å; H488-H545 AromaticContact ND1-NE2 3.73Å; H545-Q547 PolarHBondContact O-N 2.86Å; H545-Y548 HydrophobicContact CB-CE1 4.39Å; H545-Y548 HydrophobicContact CB-CE2 4.04Å; H545-Y548 PolarHBondContact CD2-OH 3.46Å; H545-Y548 PolarHBondContact N-OH 2.97Å; H545-Y548 VanDerWaalsContact N-OH 3.16Å
546K97.9Very high97.1Very high189 Ų18946.8 Ų46.882%0.82224%0.243SC*.SBendtrans-55.2-41.3-175.1-68.3-174.8178.2-1790112.3K447 S448 H455K447-K546 WeakPolarHBondContact CA-O 3.4Å; S448-K546 PolarHBondContact N-O 3.39Å; H455-K546 PolarHBondContact CE1-O 3.47Å
547Q98.4Very high97.3Very high78 Ų7846.7 Ų46.736%0.36424%0.243SC..  trans-134.2144.8-173.7169.5169.730.600109.9D444 F445 H545D444-Q547 PolarHBondContact OD1-NE2 3.36Å; D444-Q547 PolarHBondContact OD2-NE2 3.5Å; F445-Q547 VanDerWaalsContact O-CA 3.3Å; F445-Q547 WeakPolarHBondContact O-CA 3.35Å; H545-Q547 PolarHBondContact O-N 2.86Å
548Y98.8Very high97.4Very high0 Ų046.5 Ų46.50%025%0.247CC..EExtended strand (participates in β ladder)trans-129.1145.1165.9-70-87.7000109.5F445 H455 L458 L486 Q487 H488 L543 K544 H545F445-Y548 CarbonylContact C-O 3.59Å; F445-Y548 WeakPolarHBondContact CA-O 3.36Å; F445-Y548 WeakPolarHBondContact CB-O 3.47Å; F445-Y548 PolarHBondContact N-O 3.26Å; F445-Y548 PolarHBondContact O-N 3.38Å; H455-Y548 AromaticContact CD2-CD2 3.76Å; H455-Y548 AromaticContact CD2-CE2 3.6Å; H455-Y548 AromaticContact CE1-CD2 3.74Å; H455-Y548 AromaticContact CG-CD2 3.98Å; H455-Y548 AromaticContact ND1-CD2 4Å; H455-Y548 AromaticContact NE2-CD2 3.6Å; H455-Y548 AromaticContact NE2-CE2 3.63Å; L458-Y548 HydrophobicContact CD2-CD2 4.2Å; L458-Y548 HydrophobicContact CD2-CG 4.03Å; L486-Y548 HydrophobicContact CD1-CD1 3.77Å; L486-Y548 HydrophobicContact CD1-CG 4.29Å; L486-Y548 HydrophobicContact CD2-CD1 4.48Å; L486-Y548 HydrophobicContact CG-CD1 4.19Å; Q487-Y548 VanDerWaalsContact O-CA 3.29Å; Q487-Y548 WeakPolarHBondContact O-CA 3.48Å; Q487-Y548 WeakPolarHBondContact O-CD1 3.48Å; H488-Y548 HydrophobicContact CB-CD1 3.84Å; H488-Y548 HydrophobicContact CB-CE1 3.82Å; H488-Y548 AromaticContact CD2-CE1 3.81Å; L543-Y548 VanDerWaalsContact C-OH 3.3Å; L543-Y548 WeakPolarHBondContact CA-OH 3.45Å; L543-Y548 HydrophobicContact CB-CE2 4.11Å; L543-Y548 HydrophobicContact CD2-CE1 4.24Å; L543-Y548 HydrophobicContact CG-CE1 4.17Å; K544-Y548 PolarHBondContact N-OH 3.08Å; K544-Y548 VanDerWaalsContact N-OH 3.14Å; H545-Y548 HydrophobicContact CB-CE1 4.39Å; H545-Y548 HydrophobicContact CB-CE2 4.04Å; H545-Y548 PolarHBondContact CD2-OH 3.46Å; H545-Y548 PolarHBondContact N-OH 2.97Å; H545-Y548 VanDerWaalsContact N-OH 3.16Å
549Q98.9Very high97.4Very high43 Ų4348 Ų4820%0.20126%0.261CS..EExtended strand (participates in β ladder)trans-121.3145.4166.3-67.6171-21.300108.6A426 I442 V443 D444 Q487A426-Q549 HydrophobicContact CB-CB 4.04Å; I442-Q549 HydrophobicContact CG2-CB 4.3Å; V443-Q549 CarbonylContact O-C 3.55Å; V443-Q549 WeakPolarHBondContact O-CA 3.42Å; D444-Q549 HydrophobicContact CB-CG 4.01Å; D444-Q549 WeakPolarHBondContact OD1-CG 3.39Å; Q487-Q549 HydrophobicContact CB-CB 4.1Å; Q487-Q549 PolarHBondContact N-O 2.71Å; Q487-Q549 PolarHBondContact O-N 2.77Å; Q487-Q549 VanDerWaalsContact O-N 3.09Å
550I98.9Very high97.5Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-118.6149.217158.3174.1000111.4I442 V443 F445 L458 W461 I484 Y485 L486I442-I550 VanDerWaalsContact CA-O 3.27Å; I442-I550 WeakPolarHBondContact CA-O 3.49Å; V443-I550 HydrophobicContact CB-CD1 4.11Å; V443-I550 HydrophobicContact CB-CG1 3.77Å; V443-I550 HydrophobicContact CG2-CD1 4.33Å; V443-I550 HydrophobicContact CG2-CG1 4.28Å; V443-I550 PolarHBondContact N-O 3.21Å; V443-I550 VanDerWaalsContact N-O 3.13Å; V443-I550 PolarHBondContact O-N 2.92Å; F445-I550 HydrophobicContact CE2-CD1 3.89Å; F445-I550 HydrophobicContact CE2-CG1 4.01Å; L458-I550 HydrophobicContact CD1-CG2 3.88Å; W461-I550 HydrophobicContact CD2-CD1 3.76Å; W461-I550 HydrophobicContact CE3-CD1 3.37Å; W461-I550 HydrophobicContact CH2-CD1 3.95Å; W461-I550 HydrophobicContact CZ2-CD1 4.24Å; W461-I550 HydrophobicContact CZ3-CD1 3.48Å; W461-I550 VanDerWaalsContact CZ3-CD1 3.48Å; I484-I550 HydrophobicContact CG2-CB 3.64Å; I484-I550 HydrophobicContact CG2-CD1 4.29Å; I484-I550 HydrophobicContact CG2-CG1 4.5Å; I484-I550 HydrophobicContact CG2-CG2 3.79Å; Y485-I550 CarbonylContact O-C 3.56Å; Y485-I550 WeakPolarHBondContact O-CA 3.27Å; Y485-I550 WeakPolarHBondContact O-CB 3.2Å; L486-I550 HydrophobicContact CB-CG2 4.45Å; L486-I550 HydrophobicContact CD1-CG2 3.54Å
551V98.9Very high97.7Very high0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-112122.6161-163.70000107.5A426 V429 L433 C440 H441 I442 Y485A426-V551 HydrophobicContact CB-CG2 3.7Å; V429-V551 HydrophobicContact CB-CG2 4.34Å; V429-V551 HydrophobicContact CG1-CB 4.44Å; V429-V551 HydrophobicContact CG1-CG2 4.12Å; L433-V551 HydrophobicContact CD1-CG1 4.12Å; C440-V551 HydrophobicContact CB-CG1 3.98Å; H441-V551 WeakPolarHBondContact O-CA 3.45Å; I442-V551 HydrophobicContact CG1-CG2 4.3Å; Y485-V551 HydrophobicContact CD1-CG2 3.89Å; Y485-V551 HydrophobicContact CG-CG2 4.27Å; Y485-V551 PolarHBondContact N-O 2.81Å; Y485-V551 PolarHBondContact O-N 2.86Å
552A98.6Very high97.9Very high1 Ų152.4 Ų52.41%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-117.3141.7176.500000110C440 H441 W461 Y465C440-A552 WeakPolarHBondContact CA-O 3.35Å; C440-A552 WeakPolarHBondContact CB-O 3.49Å; H441-A552 PolarHBondContact N-O 2.84Å; H441-A552 PolarHBondContact O-N 3.5Å; W461-A552 HydrophobicContact CH2-CB 3.52Å; W461-A552 HydrophobicContact CZ3-CB 4.1Å; Y465-A552 HydrophobicContact CD2-CB 4.44Å; Y465-A552 HydrophobicContact CE2-CB 4.07Å
553V98.4Very high98Very high4 Ų450.9 Ų50.92%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-102.6138.9-179179.60000109.7L368 L372 Y378 L433 V438 K439 C440 Y465 P482L368-V553 HydrophobicContact CD1-CG2 4.03Å; L368-V553 HydrophobicContact CD2-CG2 4.12Å; L368-V553 HydrophobicContact CG-CG2 4.48Å; L372-V553 HydrophobicContact CD2-CB 4.43Å; L372-V553 HydrophobicContact CD2-CG1 3.93Å; Y378-V553 HydrophobicContact CE1-CG1 3.59Å; Y378-V553 WeakPolarHBondContact OH-CG1 3.25Å; L433-V553 HydrophobicContact CD1-CG2 4.17Å; V438-V553 HydrophobicContact CG1-CG1 3.48Å; V438-V553 VanDerWaalsContact CG1-CG1 3.48Å; V438-V553 HydrophobicContact CG1-CG2 4.25Å; K439-V553 WeakPolarHBondContact O-CA 3.49Å; C440-V553 HydrophobicContact CB-CG2 4.25Å; Y465-V553 PolarHBondContact OH-O 3.13Å; P482-V553 HydrophobicContact CB-CB 4.25Å; P482-V553 HydrophobicContact CG-CB 4.14Å; P482-V553 HydrophobicContact CG-CG1 4.25Å
554E96.2Very high98.1Very high97 Ų9753 Ų5345%0.45328%0.275SS..EExtended strand (participates in β ladder)trans-125.5-6.9-169.8-53.6-178.1110.200113.9K439 H441K439-E554 HydrophobicContact CD-CB 4.24Å; K439-E554 HydrophobicContact CG-CB 4.13Å; K439-E554 PolarHBondContact O-N 2.86Å; H441-E554 VanDerWaalsContact CE1-CD 3.45Å; H441-E554 IonicContact CE1-OE1 2.73Å; H441-E554 PolarHBondContact CE1-OE1 3.06Å; H441-E554 IonicContact CE1-OE2 3.22Å; H441-E554 IonicContact ND1-OE1 3.65Å; H441-E554 PolarHBondContact ND1-OE1 3.34Å; H441-E554 VanDerWaalsContact ND1-OE1 3.16Å; H441-E554 IonicContact ND1-OE2 2.84Å; H441-E554 PolarHBondContact ND1-OE2 2.87Å
555G96.8Very high98.1Very high15 Ų1551.5 Ų51.516%0.15527%0.267CS..EExtended strand (participates in β ladder)trans144.4-155.4-178.800000113Y378 K439Y378-G555 VanDerWaalsContact CE1-O 3.3Å; Y378-G555 WeakPolarHBondContact CE1-O 3.27Å; Y378-G555 PolarHBondContact OH-N 3.44Å; K439-G555 WeakPolarHBondContact CA-O 3.46Å; K439-G555 WeakPolarHBondContact CB-O 3.35Å; K439-G555 PolarHBondContact N-O 3.43Å
556A97.6Very high98.1Very high38 Ų3851.1 Ų51.131%0.31426%0.262SS..EExtended strand (participates in β ladder)trans-97.5164.717300000112.3R437R437-A556 CarbonylContact O-C 3.56Å; R437-A556 WeakPolarHBondContact O-CA 3.47Å
557L98.1Very high98.1Very high5 Ų548.4 Ų48.43%0.02625%0.252CS..  trans-109.9145.2174-64.2170.9000111.4T434 R437 V438 K439 E561T434-L557 HydrophobicContact CG2-CD1 3.87Å; R437-L557 HydrophobicContact CB-CB 4.34Å; R437-L557 PolarHBondContact NE-O 3.3Å; R437-L557 PolarHBondContact NH2-O 2.96Å; R437-L557 PolarHBondContact O-N 3.03Å; V438-L557 WeakPolarHBondContact O-CD1 3.28Å; K439-L557 HydrophobicContact CB-CD2 3.6Å; K439-L557 HydrophobicContact CB-CG 3.83Å; K439-L557 HydrophobicContact CD-CD2 4.19Å; K439-L557 HydrophobicContact CG-CD2 3.73Å; K439-L557 HydrophobicContact CG-CG 4.5Å; L557-E561 WeakPolarHBondContact CA-OE2 3.45Å; L557-E561 HydrophobicContact CB-CB 4.18Å; L557-E561 HydrophobicContact CD2-CB 3.86Å
558S97.9Very high98Very high36 Ų3649.1 Ų49.125%0.25226%0.259SS..  trans-67.1160159.6100.20000111.1E560 E561 K562S558-E560 VanDerWaalsContact CB-OE2 3.25Å; S558-E560 WeakPolarHBondContact CB-OE2 3.36Å; S558-E560 PolarHBondContact O-N 3.37Å; S558-E560 PolarHBondContact OG-N 2.79Å; S558-E560 VanDerWaalsContact OG-N 3.14Å; S558-E560 PolarHBondContact OG-OE2 2.92Å; S558-E561 PolarHBondContact N-OE2 2.96Å; S558-E561 PolarHBondContact O-N 3.49Å; S558-E561 PolarHBondContact OG-N 3.41Å; S558-K562 PolarHBondContact O-N 3.2Å
559P97.1Very high97.9Very high73 Ų7349.2 Ų49.247%0.47426%0.259SS..Hα-helixtrans-56.5-36.9171.7-24.735.2000112.8K562 V563P559-K562 PolarHBondContact O-N 2.82Å; P559-V563 WeakPolarHBondContact O-CG2 3.32Å; P559-V563 PolarHBondContact O-N 3.07Å
560E98.1Very high97.8Very high133 Ų13351.8 Ų51.862%0.62127%0.271SS*.Hα-helixtrans-69.3-43.5178.4-54.468.6-145.200111.1S558 K562 V563 A564S558-E560 VanDerWaalsContact CB-OE2 3.25Å; S558-E560 WeakPolarHBondContact CB-OE2 3.36Å; S558-E560 PolarHBondContact O-N 3.37Å; S558-E560 PolarHBondContact OG-N 2.79Å; S558-E560 VanDerWaalsContact OG-N 3.14Å; S558-E560 PolarHBondContact OG-OE2 2.92Å; E560-K562 PolarHBondContact O-N 3.05Å; E560-V563 PolarHBondContact O-N 2.87Å; E560-A564 PolarHBondContact O-N 2.77Å
561E98.3Very high97.7Very high78 Ų7857.2 Ų57.236%0.36430%0.304SS..Hα-helixtrans-62.5-40.7173.6-68-178.4110.900111.6L557 S558 V563 A564 R565L557-E561 WeakPolarHBondContact CA-OE2 3.45Å; L557-E561 HydrophobicContact CB-CB 4.18Å; L557-E561 HydrophobicContact CD2-CB 3.86Å; S558-E561 PolarHBondContact N-OE2 2.96Å; S558-E561 PolarHBondContact O-N 3.49Å; S558-E561 PolarHBondContact OG-N 3.41Å; E561-V563 VanDerWaalsContact C-N 3.31Å; E561-V563 PolarHBondContact O-N 2.81Å; E561-A564 PolarHBondContact O-N 2.8Å; E561-R565 WeakPolarHBondContact O-CG 3.37Å; E561-R565 PolarHBondContact O-N 3.08Å
562K98.3Very high97.6Very high33 Ų3359.3 Ų59.314%0.14331%0.313CS..Hα-helixtrans-57.8-43.6172.6173.4178.3166.3174.90111.2E403 F405 S435 R437 S558 P559 E560 R566E403-K562 IonicContact OE1-NZ 2.73Å; E403-K562 PolarHBondContact OE1-NZ 2.92Å; E403-K562 WeakPolarHBondContact OE2-CE 3.47Å; E403-K562 IonicContact OE2-NZ 2.76Å; E403-K562 PolarHBondContact OE2-NZ 3.04Å; F405-K562 HydrophobicContact CZ-CG 4.05Å; S435-K562 WeakPolarHBondContact O-CE 3.4Å; S435-K562 PolarHBondContact O-NZ 3.17Å; R437-K562 HydrophobicContact CG-CB 4.39Å; R437-K562 HydrophobicContact CG-CD 3.87Å; S558-K562 PolarHBondContact O-N 3.2Å; P559-K562 PolarHBondContact O-N 2.82Å; E560-K562 PolarHBondContact O-N 3.05Å; K562-R566 WeakPolarHBondContact O-CB 3.47Å; K562-R566 PolarHBondContact O-N 3.36Å
563V98.3Very high97.5Very high60 Ų6064.8 Ų64.836%0.36435%0.347SS..Hα-helixtrans-65.9-41178.3169.80000111.8P559 E560 E561 R566 Q567P559-V563 WeakPolarHBondContact O-CG2 3.32Å; P559-V563 PolarHBondContact O-N 3.07Å; E560-V563 PolarHBondContact O-N 2.87Å; E561-V563 VanDerWaalsContact C-N 3.31Å; E561-V563 PolarHBondContact O-N 2.81Å; V563-R566 WeakPolarHBondContact O-CB 3.48Å; V563-R566 PolarHBondContact O-N 3.13Å; V563-Q567 PolarHBondContact O-N 3.04Å; V563-Q567 VanDerWaalsContact O-N 3.16Å
564A98.3Very high97.5Very high43 Ų4366.1 Ų66.136%0.35536%0.358SS..Hα-helixtrans-62.1-51.2174.700000111.4E560 E561 R566 Q567 D568E560-A564 PolarHBondContact O-N 2.77Å; E561-A564 PolarHBondContact O-N 2.8Å; A564-R566 PolarHBondContact O-N 3.33Å; A564-R566 VanDerWaalsContact O-N 3.16Å; A564-Q567 CarbonylContact O-C 3.6Å; A564-Q567 WeakPolarHBondContact O-CA 3.41Å; A564-Q567 WeakPolarHBondContact O-CB 3.44Å; A564-Q567 PolarHBondContact O-N 2.81Å; A564-D568 PolarHBondContact O-N 3.32Å
565R98.1Very high97.5Very high71 Ų7166.3 Ų66.327%0.26836%0.359SS..Hα-helixtrans-60.1-29178.3-66.9-60-170.9132.7-0.3113.5T434 E561 S569T434-R565 HydrophobicContact CG2-CB 3.58Å; T434-R565 HydrophobicContact CG2-CG 4.31Å; E561-R565 WeakPolarHBondContact O-CG 3.37Å; E561-R565 PolarHBondContact O-N 3.08Å; R565-S569 WeakPolarHBondContact O-CB 3.18Å; R565-S569 PolarHBondContact O-N 3.29Å
566R98.2Very high97.6Very high76 Ų7671.8 Ų71.829%0.28738%0.379SS..Hα-helixtrans-68.3-41.9171-173.9178.752.9175.6-6.2112.3E403 F405 K562 V563 A564 S569 Q570E403-R566 WeakPolarHBondContact O-CD 3.46Å; E403-R566 PolarHBondContact O-NH1 3.24Å; F405-R566 HydrophobicContact CD1-CB 3.95Å; F405-R566 HydrophobicContact CD1-CG 4.02Å; F405-R566 HydrophobicContact CD2-CB 4.48Å; F405-R566 HydrophobicContact CD2-CG 4.03Å; F405-R566 VanDerWaalsContact CE1-CA 3.45Å; F405-R566 HydrophobicContact CE1-CB 3.52Å; F405-R566 HydrophobicContact CE1-CG 4.04Å; F405-R566 HydrophobicContact CE2-CB 4.11Å; F405-R566 HydrophobicContact CE2-CG 4.05Å; F405-R566 HydrophobicContact CG-CB 4.42Å; F405-R566 HydrophobicContact CG-CG 4.02Å; F405-R566 HydrophobicContact CZ-CB 3.62Å; F405-R566 HydrophobicContact CZ-CG 4.06Å; K562-R566 WeakPolarHBondContact O-CB 3.47Å; K562-R566 PolarHBondContact O-N 3.36Å; V563-R566 WeakPolarHBondContact O-CB 3.48Å; V563-R566 PolarHBondContact O-N 3.13Å; A564-R566 PolarHBondContact O-N 3.33Å; A564-R566 VanDerWaalsContact O-N 3.16Å; R566-S569 PolarHBondContact O-N 2.91Å; R566-S569 PolarHBondContact O-OG 3.41Å; R566-Q570 PolarHBondContact O-NE2 3.1Å
567Q97.6Very high97.6Very high132 Ų13270.6 Ų70.662%0.61737%0.367SS*.Hα-helixtrans-65.3-42.3174.8-69.6175.9-16.700111.1V563 A564 S569 Q570V563-Q567 PolarHBondContact O-N 3.04Å; V563-Q567 VanDerWaalsContact O-N 3.16Å; A564-Q567 CarbonylContact O-C 3.6Å; A564-Q567 WeakPolarHBondContact O-CA 3.41Å; A564-Q567 WeakPolarHBondContact O-CB 3.44Å; A564-Q567 PolarHBondContact O-N 2.81Å; Q567-S569 VanDerWaalsContact C-N 3.26Å; Q567-S569 PolarHBondContact O-N 3.39Å; Q567-Q570 WeakPolarHBondContact O-CB 3.4Å; Q567-Q570 WeakPolarHBondContact O-CG 3.41Å; Q567-Q570 PolarHBondContact O-N 3.2Å; Q567-Q570 VanDerWaalsContact O-N 3.14Å
568D96.4Very high96.7Very high94 Ų9475.1 Ų75.150%0.50340%0.396SS..Hα-helixtrans-57.6-40.9172.8-58.7-32.4000111.2A564 Q570 V571A564-D568 PolarHBondContact O-N 3.32Å; D568-Q570 PolarHBondContact O-N 3.43Å; D568-Q570 VanDerWaalsContact O-N 3.08Å; D568-V571 CarbonylContact O-C 3.57Å; D568-V571 PolarHBondContact O-N 3.04Å; D568-V571 VanDerWaalsContact O-N 3.1Å
569S97.3Very high96.6Very high2 Ų277.1 Ų77.11%0.01440%0.404CS..G310 helixtrans-66.9-6.7179.8790000115.4F405 D406 R565 R566 Q567 V571F405-S569 WeakPolarHBondContact CA-OG 3.3Å; D406-S569 WeakPolarHBondContact CA-O 3.49Å; D406-S569 PolarHBondContact N-OG 3.38Å; R565-S569 WeakPolarHBondContact O-CB 3.18Å; R565-S569 PolarHBondContact O-N 3.29Å; R566-S569 PolarHBondContact O-N 2.91Å; R566-S569 PolarHBondContact O-OG 3.41Å; Q567-S569 VanDerWaalsContact C-N 3.26Å; Q567-S569 PolarHBondContact O-N 3.39Å; S569-V571 PolarHBondContact O-N 3.23Å
570Q96.8Very high96.6Very high97 Ų9777.3 Ų77.345%0.45340%0.4SS..G310 helixtrans-67.1-27.7169.7-57.3-46.7-77.200112G404 R566 Q567 D568G404-Q570 PolarHBondContact O-NE2 3.12Å; R566-Q570 PolarHBondContact O-NE2 3.1Å; Q567-Q570 WeakPolarHBondContact O-CB 3.4Å; Q567-Q570 WeakPolarHBondContact O-CG 3.41Å; Q567-Q570 PolarHBondContact O-N 3.2Å; Q567-Q570 VanDerWaalsContact O-N 3.14Å; D568-Q570 PolarHBondContact O-N 3.43Å; D568-Q570 VanDerWaalsContact O-N 3.08Å
571V96.9Very high96.5Very high114 Ų11474.2 Ų74.269%0.69139%0.388SS*.G310 helixtrans-125.274.1175.2-174.20000107D568 S569 T573D568-V571 CarbonylContact O-C 3.57Å; D568-V571 PolarHBondContact O-N 3.04Å; D568-V571 VanDerWaalsContact O-N 3.1Å; S569-V571 PolarHBondContact O-N 3.23Å; V571-T573 PolarHBondContact O-N 3.12Å
572F96.8Very high96.4Very high43 Ų4373.9 Ų73.919%0.18939%0.389CS..  trans-59.4121.7-167.2-159.3-78.8000112.3D406 C427 Y430 I431 I442D406-F572 HydrophobicContact CB-CD2 3.85Å; D406-F572 HydrophobicContact CB-CE2 4.33Å; C427-F572 HydrophobicContact CB-CE1 4.17Å; C427-F572 HydrophobicContact CB-CE2 4.4Å; C427-F572 HydrophobicContact CB-CZ 3.94Å; Y430-F572 AromaticContact CD1-CE2 3.62Å; Y430-F572 HydrophobicContact CD1-CE2 3.62Å; Y430-F572 AromaticContact CD1-CZ 3.63Å; Y430-F572 HydrophobicContact CD1-CZ 3.63Å; Y430-F572 AromaticContact CE1-CE2 3.87Å; Y430-F572 HydrophobicContact CE1-CE2 3.87Å; Y430-F572 HydrophobicContact CE1-CZ 4.1Å; Y430-F572 HydrophobicContact CG-CZ 4.29Å; I431-F572 HydrophobicContact CG2-CE2 3.97Å; I442-F572 HydrophobicContact CD1-CE1 3.83Å; I442-F572 HydrophobicContact CD1-CZ 3.72Å
573T96.9Very high96.3Very high117 Ų11776.5 Ų76.572%0.71840%0.404SS*.  trans-139.2160.4179.154.30000111.1V571V571-T573 PolarHBondContact O-N 3.12Å
574A97.2Very high96.2Very high32 Ų3277.6 Ų77.626%0.26441%0.407SS..  trans-137.8157.8179.400000109.6I442 D444 K576I442-A574 HydrophobicContact CB-CB 3.8Å; I442-A574 HydrophobicContact CG2-CB 3.74Å; D444-A574 HydrophobicContact CB-CB 4.42Å; A574-K576 PolarHBondContact O-N 2.84Å
575E97.6Very high96Very high100 Ų10080.1 Ų80.147%0.46741%0.411SS..EExtended strand (participates in β ladder)trans-59.9138.1167.5-176-174.4153.600108.7I442 V443 D444 I577I442-E575 PolarHBondContact O-N 2.87Å; I442-E575 VanDerWaalsContact O-N 3.14Å; V443-E575 HydrophobicContact CG1-CB 4.29Å; V443-E575 HydrophobicContact CG1-CG 4.26Å; V443-E575 HydrophobicContact CG2-CB 4.33Å; D444-E575 WeakPolarHBondContact CB-O 3.47Å; D444-E575 PolarHBondContact N-O 2.86Å; E575-I577 WeakPolarHBondContact OE1-CD1 3.37Å
576K98.2Very high95.8Very high130 Ų13080.8 Ų80.857%0.56542%0.422SS*.EExtended strand (participates in β ladder)trans-117.8133.3178.5-80.5-178.3178.2-173.20111.2D444 A574D444-K576 HydrophobicContact CB-CG 3.99Å; D444-K576 WeakPolarHBondContact O-CA 3.08Å; D444-K576 WeakPolarHBondContact OD2-CE 3.21Å; D444-K576 IonicContact OD2-NZ 3.02Å; A574-K576 PolarHBondContact O-N 2.84Å
577I97.4Very high95.7Very high14 Ų1481.2 Ų81.27%0.07243%0.433CS..  trans-128.5126176-58.6-176.7000109.2V443 D444 F445 H446 R457 E575V443-I577 HydrophobicContact CG1-CD1 3.6Å; V443-I577 HydrophobicContact CG1-CG1 3.88Å; D444-I577 PolarHBondContact O-N 2.86Å; F445-I577 WeakPolarHBondContact CA-O 3.39Å; F445-I577 HydrophobicContact CD1-CB 3.89Å; F445-I577 HydrophobicContact CD1-CG2 4Å; F445-I577 HydrophobicContact CE1-CB 3.88Å; F445-I577 HydrophobicContact CE1-CD1 3.73Å; F445-I577 HydrophobicContact CE1-CG1 4.32Å; F445-I577 HydrophobicContact CE1-CG2 3.9Å; F445-I577 HydrophobicContact CZ-CD1 3.91Å; H446-I577 PolarHBondContact CD2-O 2.87Å; R457-I577 HydrophobicContact CB-CG2 3.81Å; R457-I577 HydrophobicContact CG-CG2 4.19Å; E575-I577 WeakPolarHBondContact OE1-CD1 3.37Å
578P78.8Confident95.5Very high99 Ų9976.5 Ų76.564%0.64342%0.416SS*.  cis-97.70-9.837.2-29000112.8H446 K447 T449H446-P578 PolarHBondContact CE1-O 3.4Å; H446-P578 PolarHBondContact NE2-O 3.46Å; K447-P578 VanDerWaalsContact CE-CG 3.47Å; K447-P578 WeakPolarHBondContact CE-O 3.44Å; K447-P578 HydrophobicContact CG-CG 4.42Å; K447-P578 PolarHBondContact NZ-O 3.02Å; T449-P578 HydrophobicContact CG2-CG 3.75Å

Retrieved 578 of 578 residues in 3691.4 ms (Link to these results)

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