A0A093K339_STRCA Loading...

Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A093K339, Species STRCA (Struthio camelus australis), Gene n/a, Length 485 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
1M94.8Very high97.9Very high152 Ų15294.3 Ų94.375%0.74948%0.481SS*.  0129.90-177.7178.9-66.200108.4E5 F6 R9 F53M1-E5 HydrophobicContact CE-CG 4.41Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.72Å; M1-F6 HydrophobicContact CG-CB 4.41Å; M1-F6 HydrophobicContact SD-CB 4.13Å; M1-F6 HydrophobicContact SD-CD2 4.46Å; M1-R9 HydrophobicContact CE-CB 4.24Å; M1-R9 HydrophobicContact CE-CG 3.92Å; M1-F53 HydrophobicContact CE-CB 4.48Å; M1-F53 HydrophobicContact CE-CD2 3.97Å; M1-F53 HydrophobicContact CE-CG 4.48Å
2D97.3Very high98Very high107 Ų10791.4 Ų91.457%0.57246%0.464SS*.  trans-103.2-172.6174.670.614.5000111.6A4 E5 F6D2-A4 PolarHBondContact OD1-N 3.46Å; D2-E5 WeakPolarHBondContact OD1-CB 3.28Å; D2-E5 PolarHBondContact OD1-N 3.28Å; D2-F6 VanDerWaalsContact O-CB 3.29Å; D2-F6 WeakPolarHBondContact O-CB 3.46Å; D2-F6 PolarHBondContact O-N 2.87Å
3A98.2Very high98Very high68 Ų6888.8 Ų88.856%0.56245%0.451SS*.Hα-helixtrans-68.2-33-177.500000114.2R7A3-R7 VanDerWaalsContact O-CG 3.32Å; A3-R7 WeakPolarHBondContact O-CG 3.25Å; A3-R7 PolarHBondContact O-N 3.43Å; A3-R7 VanDerWaalsContact O-N 3.1Å
4A98.4Very high98.1Very high69 Ų6986.8 Ų86.857%0.5744%0.444SS*.Hα-helixtrans-70.7-4517900000109.9D2 R7 K8D2-A4 PolarHBondContact OD1-N 3.46Å; A4-R7 PolarHBondContact O-N 3.38Å; A4-K8 PolarHBondContact O-N 2.89Å; A4-K8 VanDerWaalsContact O-N 3.15Å
5E98Very high98.1Very high57 Ų5787.9 Ų87.927%0.26645%0.451SS..Hα-helixtrans-64.5-43175.5-174.467.1173.500111.3M1 D2 R7 K8 R9M1-E5 HydrophobicContact CE-CG 4.41Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.72Å; D2-E5 WeakPolarHBondContact OD1-CB 3.28Å; D2-E5 PolarHBondContact OD1-N 3.28Å; E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.29Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.46Å; E5-K8 VanDerWaalsContact O-N 3.08Å; E5-R9 VanDerWaalsContact CD-NE 3.34Å; E5-R9 HydrophobicContact CG-CG 4.18Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.11Å; E5-R9 IonicContact OE1-CZ 2.8Å; E5-R9 IonicContact OE1-NE 2.57Å; E5-R9 PolarHBondContact OE1-NE 3.31Å; E5-R9 IonicContact OE1-NH2 2.68Å; E5-R9 PolarHBondContact OE1-NH2 3.34Å; E5-R9 IonicContact OE2-NE 3.55Å; E5-R9 IonicContact OE2-NH2 3.51Å
6F98.3Very high98.1Very high132 Ų13284.5 Ų84.558%0.57943%0.432SS*.Hα-helixtrans-56.4-41.8173.9172.8-102.1000112.4M1 D2 K8 G10M1-F6 HydrophobicContact CG-CB 4.41Å; M1-F6 HydrophobicContact SD-CB 4.13Å; M1-F6 HydrophobicContact SD-CD2 4.46Å; D2-F6 VanDerWaalsContact O-CB 3.29Å; D2-F6 WeakPolarHBondContact O-CB 3.46Å; D2-F6 PolarHBondContact O-N 2.87Å; F6-K8 VanDerWaalsContact C-N 3.32Å; F6-K8 PolarHBondContact O-N 3.19Å; F6-G10 WeakPolarHBondContact O-CA 3.46Å; F6-G10 PolarHBondContact O-N 2.95Å
7R98.6Very high98.2Very high176 Ų17683 Ų8366%0.66442%0.424SS*.Hα-helixtrans-64.7-36.9176.8-74.1174.6-170.5-77.60.7112.4A3 A4 E5 K11A3-R7 VanDerWaalsContact O-CG 3.32Å; A3-R7 WeakPolarHBondContact O-CG 3.25Å; A3-R7 PolarHBondContact O-N 3.43Å; A3-R7 VanDerWaalsContact O-N 3.1Å; A4-R7 PolarHBondContact O-N 3.38Å; E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.29Å; R7-K11 WeakPolarHBondContact O-CD 3.39Å; R7-K11 VanDerWaalsContact O-CG 3.24Å; R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 3.18Å
8K98.5Very high98.2Very high96 Ų9680.1 Ų80.142%0.41741%0.414SS..Hα-helixtrans-66.9-56175.7-177.8-171.6171.7-164.20110.1A4 E5 F6 G10 K11 E12A4-K8 PolarHBondContact O-N 2.89Å; A4-K8 VanDerWaalsContact O-N 3.15Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.46Å; E5-K8 VanDerWaalsContact O-N 3.08Å; F6-K8 VanDerWaalsContact C-N 3.32Å; F6-K8 PolarHBondContact O-N 3.19Å; K8-G10 PolarHBondContact O-N 3.09Å; K8-K11 WeakPolarHBondContact O-CB 3.38Å; K8-K11 PolarHBondContact O-N 3.26Å; K8-K11 VanDerWaalsContact O-N 3.14Å; K8-E12 VanDerWaalsContact CE-OE1 3.25Å; K8-E12 WeakPolarHBondContact CE-OE1 3.23Å; K8-E12 PolarHBondContact O-N 3.4Å; K8-E12 VanDerWaalsContact O-N 3.13Å
9R98.3Very high98.2Very high15 Ų1579.8 Ų79.86%0.05741%0.414CS..Hα-helixtrans-68.4-33.5-175.9-56.4-39.7174.4162.83.7113.5M1 E5 K11 E12 M13 F53 E54M1-R9 HydrophobicContact CE-CB 4.24Å; M1-R9 HydrophobicContact CE-CG 3.92Å; E5-R9 VanDerWaalsContact CD-NE 3.34Å; E5-R9 HydrophobicContact CG-CG 4.18Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.11Å; E5-R9 IonicContact OE1-CZ 2.8Å; E5-R9 IonicContact OE1-NE 2.57Å; E5-R9 PolarHBondContact OE1-NE 3.31Å; E5-R9 IonicContact OE1-NH2 2.68Å; E5-R9 PolarHBondContact OE1-NH2 3.34Å; E5-R9 IonicContact OE2-NE 3.55Å; E5-R9 IonicContact OE2-NH2 3.51Å; R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 3.41Å; R9-E12 WeakPolarHBondContact CD-OE2 3.39Å; R9-E12 IonicContact CZ-OE2 2.56Å; R9-E12 IonicContact NE-OE2 3.77Å; R9-E12 IonicContact NH1-OE1 2.71Å; R9-E12 PolarHBondContact NH1-OE1 3.45Å; R9-E12 IonicContact NH1-OE2 3.53Å; R9-E12 PolarHBondContact NH1-OE2 3.1Å; R9-E12 PolarHBondContact O-N 3.2Å; R9-M13 WeakPolarHBondContact O-CB 3.32Å; R9-M13 PolarHBondContact O-N 2.93Å; R9-F53 HydrophobicContact CB-CD1 4.22Å; R9-F53 HydrophobicContact CB-CD2 4.18Å; R9-F53 HydrophobicContact CB-CE1 3.96Å; R9-F53 HydrophobicContact CB-CE2 3.92Å; R9-F53 HydrophobicContact CB-CG 4.32Å; R9-F53 HydrophobicContact CB-CZ 3.79Å; R9-F53 VanDerWaalsContact CD-CD1 3.4Å; R9-F53 HydrophobicContact CG-CB 4.37Å; R9-F53 HydrophobicContact CG-CD1 3.78Å; R9-F53 HydrophobicContact CG-CD2 4.09Å; R9-F53 HydrophobicContact CG-CE1 4.01Å; R9-F53 HydrophobicContact CG-CE2 4.32Å; R9-F53 HydrophobicContact CG-CG 3.8Å; R9-F53 HydrophobicContact CG-CZ 4.27Å; R9-E54 IonicContact CZ-OE1 3.17Å; R9-E54 IonicContact NH1-OE1 3.77Å; R9-E54 PolarHBondContact NH1-OE1 3.37Å; R9-E54 IonicContact NH2-OE1 3.39Å; R9-E54 PolarHBondContact NH2-OE1 2.99Å; R9-E54 IonicContact NH2-OE2 3.86Å
10G98.3Very high98.2Very high23 Ų2377.4 Ų77.424%0.23740%0.399CS..Hα-helixtrans-60.4-40.2172.200000112.1F6 K8 M13 V14F6-G10 WeakPolarHBondContact O-CA 3.46Å; F6-G10 PolarHBondContact O-N 2.95Å; K8-G10 PolarHBondContact O-N 3.09Å; G10-M13 PolarHBondContact O-N 2.79Å; G10-V14 VanDerWaalsContact O-CG2 3.27Å; G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.41Å
11K98.6Very high98.2Very high142 Ų14274.7 Ų74.762%0.61739%0.385SS*.Hα-helixtrans-67.3-45.6174.5-69.3168.6-174.7-177.60111.6R7 K8 R9 M13 V14 D15R7-K11 WeakPolarHBondContact O-CD 3.39Å; R7-K11 VanDerWaalsContact O-CG 3.24Å; R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 3.18Å; K8-K11 WeakPolarHBondContact O-CB 3.38Å; K8-K11 PolarHBondContact O-N 3.26Å; K8-K11 VanDerWaalsContact O-N 3.14Å; R9-K11 VanDerWaalsContact C-N 3.31Å; R9-K11 PolarHBondContact O-N 3.41Å; K11-M13 VanDerWaalsContact C-N 3.26Å; K11-M13 PolarHBondContact O-N 2.82Å; K11-V14 PolarHBondContact O-N 3.05Å; K11-V14 VanDerWaalsContact O-N 3.1Å; K11-D15 PolarHBondContact O-N 3.23Å
12E98.4Very high98.3Very high60 Ų6074 Ų7428%0.2838%0.38SS..Hα-helixtrans-55.6-41.9176-68.5171.3-174.800111.6K8 R9 Y16 F53K8-E12 VanDerWaalsContact CE-OE1 3.25Å; K8-E12 WeakPolarHBondContact CE-OE1 3.23Å; K8-E12 PolarHBondContact O-N 3.4Å; K8-E12 VanDerWaalsContact O-N 3.13Å; R9-E12 WeakPolarHBondContact CD-OE2 3.39Å; R9-E12 IonicContact CZ-OE2 2.56Å; R9-E12 IonicContact NE-OE2 3.77Å; R9-E12 IonicContact NH1-OE1 2.71Å; R9-E12 PolarHBondContact NH1-OE1 3.45Å; R9-E12 IonicContact NH1-OE2 3.53Å; R9-E12 PolarHBondContact NH1-OE2 3.1Å; R9-E12 PolarHBondContact O-N 3.2Å; E12-Y16 WeakPolarHBondContact O-CB 3.41Å; E12-Y16 PolarHBondContact O-N 2.94Å; E12-F53 WeakPolarHBondContact OE2-CE1 3.3Å
13M98.7Very high98.3Very high58 Ų5873.4 Ų73.429%0.28637%0.373SS..Hα-helixtrans-70.2-38176.7-172.758.567.200113R9 G10 K11 Y16 I17 F53 F57 I60R9-M13 WeakPolarHBondContact O-CB 3.32Å; R9-M13 PolarHBondContact O-N 2.93Å; G10-M13 PolarHBondContact O-N 2.79Å; K11-M13 VanDerWaalsContact C-N 3.26Å; K11-M13 PolarHBondContact O-N 2.82Å; M13-Y16 PolarHBondContact O-N 2.99Å; M13-Y16 HydrophobicContact SD-CD1 4.06Å; M13-I17 HydrophobicContact CG-CD1 3.85Å; M13-I17 HydrophobicContact CG-CG1 4.43Å; M13-I17 WeakPolarHBondContact O-CB 3.28Å; M13-I17 VanDerWaalsContact O-CG1 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.23Å; M13-I17 PolarHBondContact O-N 2.91Å; M13-I17 HydrophobicContact SD-CD1 4.14Å; M13-I17 HydrophobicContact SD-CG1 4.22Å; M13-F53 HydrophobicContact CE-CZ 4.42Å; M13-F57 HydrophobicContact CE-CD2 3.9Å; M13-F57 HydrophobicContact CE-CE2 3.83Å; M13-F57 HydrophobicContact SD-CE2 4.4Å; M13-I60 HydrophobicContact CE-CD1 3.77Å
14V98.7Very high98.2Very high60 Ų6070.3 Ų70.336%0.36435%0.347SS..Hα-helixtrans-61.9-47.2175.2165.60000110.6G10 K11 Y16 I17 A18 M93G10-V14 VanDerWaalsContact O-CG2 3.27Å; G10-V14 WeakPolarHBondContact O-CG2 3.37Å; G10-V14 PolarHBondContact O-N 3.41Å; K11-V14 PolarHBondContact O-N 3.05Å; K11-V14 VanDerWaalsContact O-N 3.1Å; V14-Y16 VanDerWaalsContact C-N 3.34Å; V14-Y16 PolarHBondContact O-N 3.06Å; V14-I17 PolarHBondContact O-N 3.33Å; V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.44Å; V14-M93 HydrophobicContact CG2-CE 3.94Å; V14-M93 HydrophobicContact CG2-SD 4.31Å
15D98.7Very high98.1Very high103 Ų10370 Ų7055%0.55134%0.335SS*.Hα-helixtrans-61.9-44178.3-66.6-21.9000110.5K11 I17 A18 D19K11-D15 PolarHBondContact O-N 3.23Å; D15-I17 PolarHBondContact O-N 3.06Å; D15-A18 PolarHBondContact O-N 2.81Å; D15-D19 WeakPolarHBondContact O-CB 3.33Å; D15-D19 PolarHBondContact O-N 2.92Å
16Y98.7Very high98Very high34 Ų3475.3 Ų75.313%0.13336%0.357CS..Hα-helixtrans-58.1-48.7175.4177.2-99.2000113.4E12 M13 V14 A18 D19 Y20 F57 I60 E61 M65E12-Y16 WeakPolarHBondContact O-CB 3.41Å; E12-Y16 PolarHBondContact O-N 2.94Å; M13-Y16 PolarHBondContact O-N 2.99Å; M13-Y16 HydrophobicContact SD-CD1 4.06Å; V14-Y16 VanDerWaalsContact C-N 3.34Å; V14-Y16 PolarHBondContact O-N 3.06Å; Y16-A18 VanDerWaalsContact C-N 3.35Å; Y16-D19 PolarHBondContact O-N 3.32Å; Y16-Y20 WeakPolarHBondContact O-CB 3.34Å; Y16-Y20 PolarHBondContact O-N 2.84Å; Y16-F57 AromaticContact CD2-CZ 3.99Å; Y16-F57 HydrophobicContact CD2-CZ 3.99Å; Y16-F57 HydrophobicContact CG-CE2 4.34Å; Y16-F57 AromaticContact CG-CZ 3.99Å; Y16-F57 HydrophobicContact CG-CZ 3.99Å; Y16-I60 HydrophobicContact CE1-CG2 3.98Å; Y16-I60 WeakPolarHBondContact OH-CG2 2.75Å; Y16-E61 HydrophobicContact CE2-CG 4.08Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.28Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y16-E61 VanDerWaalsContact OH-CD 3.3Å; Y16-E61 PolarHBondContact OH-OE1 2.9Å; Y16-M65 HydrophobicContact CE1-CE 4.02Å; Y16-M65 WeakPolarHBondContact OH-CE 3.32Å
17I98.7Very high97.9Very high59 Ų5972.2 Ų72.230%0.30334%0.342SS..Hα-helixtrans-64.9-41.3-179.1-70.4166.8000110.7M13 V14 D15 Y20 L21 L89M13-I17 HydrophobicContact CG-CD1 3.85Å; M13-I17 HydrophobicContact CG-CG1 4.43Å; M13-I17 WeakPolarHBondContact O-CB 3.28Å; M13-I17 VanDerWaalsContact O-CG1 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.23Å; M13-I17 PolarHBondContact O-N 2.91Å; M13-I17 HydrophobicContact SD-CD1 4.14Å; M13-I17 HydrophobicContact SD-CG1 4.22Å; V14-I17 PolarHBondContact O-N 3.33Å; D15-I17 PolarHBondContact O-N 3.06Å; I17-Y20 PolarHBondContact O-N 3.2Å; I17-L21 HydrophobicContact CG2-CD1 3.93Å; I17-L21 HydrophobicContact CG2-CG 4.45Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 WeakPolarHBondContact O-CG 3.29Å; I17-L21 PolarHBondContact O-N 2.68Å; I17-L89 HydrophobicContact CG2-CD1 3.95Å
18A98.5Very high97.8Very high30 Ų3068 Ų6825%0.24833%0.33CS..Hα-helixtrans-60.9-51.9176.500000110.9V14 D15 Y16 Y20 L21 E22V14-A18 WeakPolarHBondContact O-CB 3.46Å; V14-A18 PolarHBondContact O-N 3.44Å; D15-A18 PolarHBondContact O-N 2.81Å; Y16-A18 VanDerWaalsContact C-N 3.35Å; A18-Y20 VanDerWaalsContact C-N 3.34Å; A18-Y20 PolarHBondContact O-N 2.84Å; A18-L21 PolarHBondContact O-N 3.47Å; A18-E22 WeakPolarHBondContact O-CB 3.34Å; A18-E22 WeakPolarHBondContact O-CG 3.44Å; A18-E22 PolarHBondContact O-N 2.95Å
19D98.4Very high97.7Very high75 Ų7563.5 Ų63.540%0.40131%0.31SS..Hα-helixtrans-59-43.6177.2-90.4-32.5000112.6D15 Y16 K23D15-D19 WeakPolarHBondContact O-CB 3.33Å; D15-D19 PolarHBondContact O-N 2.92Å; Y16-D19 PolarHBondContact O-N 3.32Å; D19-K23 WeakPolarHBondContact O-CB 3.45Å; D19-K23 PolarHBondContact O-N 3.39Å; D19-K23 IonicContact OD1-NZ 3.63Å; D19-K23 PolarHBondContact OD1-NZ 3.5Å; D19-K23 IonicContact OD2-NZ 3.7Å
20Y98.5Very high97.5Very high31 Ų3166.3 Ų66.312%0.12232%0.323CS..Hα-helixtrans-58.9-49.1177.1164.8-109000111.3Y16 I17 A18 I24 M65 H70Y16-Y20 WeakPolarHBondContact O-CB 3.34Å; Y16-Y20 PolarHBondContact O-N 2.84Å; I17-Y20 PolarHBondContact O-N 3.2Å; A18-Y20 VanDerWaalsContact C-N 3.34Å; A18-Y20 PolarHBondContact O-N 2.84Å; Y20-I24 HydrophobicContact CE1-CD1 4.04Å; Y20-I24 HydrophobicContact CE2-CD1 4.19Å; Y20-I24 HydrophobicContact CE2-CG1 4.25Å; Y20-I24 WeakPolarHBondContact O-CA 3.41Å; Y20-I24 VanDerWaalsContact O-CB 3.3Å; Y20-I24 WeakPolarHBondContact O-CB 3.38Å; Y20-I24 PolarHBondContact O-N 2.98Å; Y20-M65 HydrophobicContact CD2-CE 4.16Å; Y20-M65 HydrophobicContact CE2-CE 4.08Å; Y20-M65 HydrophobicContact CE2-SD 4.07Å; Y20-H70 AromaticContact CE2-CE1 3.77Å; Y20-H70 AromaticContact CE2-ND1 3.59Å; Y20-H70 AromaticContact CZ-ND1 3.66Å; Y20-H70 PolarHBondContact OH-ND1 2.81Å
21L97.9Very high97.4Very high21 Ų2166 Ų6611%0.1132%0.317CS..Hα-helixtrans-71.6-33.5-177.8-70.5175.4000112.9I17 A18 I24 H72 F86 L89I17-L21 HydrophobicContact CG2-CD1 3.93Å; I17-L21 HydrophobicContact CG2-CG 4.45Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 WeakPolarHBondContact O-CG 3.29Å; I17-L21 PolarHBondContact O-N 2.68Å; A18-L21 PolarHBondContact O-N 3.47Å; L21-I24 HydrophobicContact CD2-CD1 4.47Å; L21-I24 WeakPolarHBondContact O-CG2 3.25Å; L21-H72 HydrophobicContact CD2-CB 4.23Å; L21-F86 HydrophobicContact CB-CZ 4.41Å; L21-F86 HydrophobicContact CD1-CD1 4.37Å; L21-F86 HydrophobicContact CD1-CE1 3.73Å; L21-F86 HydrophobicContact CD1-CZ 4.31Å; L21-L89 HydrophobicContact CD1-CD1 3.97Å
22E96.4Very high97.2Very high138 Ų13864.3 Ų64.365%0.64531%0.314SS*.Hα-helixtrans-73.8-30177.3-73.9-172.9171.600113.1A18A18-E22 WeakPolarHBondContact O-CB 3.34Å; A18-E22 WeakPolarHBondContact O-CG 3.44Å; A18-E22 PolarHBondContact O-N 2.95Å
23K96.9Very high97.1Very high95 Ų9563.7 Ų63.741%0.41332%0.315SS..SBendtrans-107.914.8-177.8-61.2161.1-178.21530112.8D19 D25 K26D19-K23 WeakPolarHBondContact O-CB 3.45Å; D19-K23 PolarHBondContact O-N 3.39Å; D19-K23 IonicContact OD1-NZ 3.63Å; D19-K23 PolarHBondContact OD1-NZ 3.5Å; D19-K23 IonicContact OD2-NZ 3.7Å; K23-D25 VanDerWaalsContact C-OD1 3.3Å; K23-D25 PolarHBondContact O-N 3.26Å; K23-K26 HydrophobicContact CB-CD 4.5Å; K23-K26 WeakPolarHBondContact O-CB 3.4Å; K23-K26 PolarHBondContact O-N 2.85Å; K23-K26 VanDerWaalsContact O-N 3.1Å
24I97.3Very high97Very high3 Ų367.9 Ų67.92%0.01533%0.334CS..G310 helixtrans-65.1-25-173.7-162.5165.4000113Y20 L21 K26 R27 H70 H72Y20-I24 HydrophobicContact CE1-CD1 4.04Å; Y20-I24 HydrophobicContact CE2-CD1 4.19Å; Y20-I24 HydrophobicContact CE2-CG1 4.25Å; Y20-I24 WeakPolarHBondContact O-CA 3.41Å; Y20-I24 VanDerWaalsContact O-CB 3.3Å; Y20-I24 WeakPolarHBondContact O-CB 3.38Å; Y20-I24 PolarHBondContact O-N 2.98Å; L21-I24 HydrophobicContact CD2-CD1 4.47Å; L21-I24 WeakPolarHBondContact O-CG2 3.25Å; I24-K26 PolarHBondContact O-N 2.94Å; I24-R27 PolarHBondContact O-N 2.79Å; I24-R27 VanDerWaalsContact O-N 3.14Å; I24-H70 HydrophobicContact CD1-CB 4.07Å; I24-H70 HydrophobicContact CG1-CB 4.07Å; I24-H72 HydrophobicContact CD1-CB 3.8Å
25D95.6Very high97Very high63 Ų6371.1 Ų71.134%0.33736%0.356SS..G310 helixtrans-64.4-24.217565.7-30000113K23 R27 P74 Y75K23-D25 VanDerWaalsContact C-OD1 3.3Å; K23-D25 PolarHBondContact O-N 3.26Å; D25-R27 VanDerWaalsContact C-N 3.3Å; D25-P74 HydrophobicContact CB-CG 3.76Å; D25-Y75 HydrophobicContact CB-CE2 4.21Å
26K96.3Very high96.9Very high167 Ų16768.9 Ų68.973%0.72636%0.357SS*.G310 helixtrans-80-10.4175-58.5-177.7-176.7176.90113.3K23 I24K23-K26 HydrophobicContact CB-CD 4.5Å; K23-K26 WeakPolarHBondContact O-CB 3.4Å; K23-K26 PolarHBondContact O-N 2.85Å; K23-K26 VanDerWaalsContact O-N 3.1Å; I24-K26 PolarHBondContact O-N 2.94Å
27R96.3Very high96.9Very high68 Ų6870.6 Ų70.626%0.25736%0.364SS..SBendtrans-92.8148.1179.7-60.2-170.1179.5-113.12.3111.2I24 D25 V29 E61 H70I24-R27 PolarHBondContact O-N 2.79Å; I24-R27 VanDerWaalsContact O-N 3.14Å; D25-R27 VanDerWaalsContact C-N 3.3Å; R27-V29 PolarHBondContact O-N 3.19Å; R27-E61 IonicContact CZ-OE1 3.15Å; R27-E61 IonicContact CZ-OE2 2.55Å; R27-E61 IonicContact NH1-OE1 3.72Å; R27-E61 IonicContact NH1-OE2 3.04Å; R27-E61 PolarHBondContact NH1-OE2 2.94Å; R27-E61 IonicContact NH2-OE1 2.69Å; R27-E61 PolarHBondContact NH2-OE1 3.04Å; R27-E61 IonicContact NH2-OE2 3.06Å; R27-E61 PolarHBondContact NH2-OE2 3.45Å; R27-H70 VanDerWaalsContact CB-CD2 3.48Å; R27-H70 WeakPolarHBondContact CB-CD2 3.49Å; R27-H70 WeakPolarHBondContact CB-NE2 3.33Å; R27-H70 WeakPolarHBondContact CD-NE2 3.41Å
28Q95.4Very high96.8Very high88 Ų8870.3 Ų70.341%0.41136%0.363SS..  trans-67.8117.5174.1-174.2-177.7-8400109.8F30 H70 K431Q28-F30 WeakPolarHBondContact CG-O 3.23Å; Q28-F30 PolarHBondContact NE2-O 3.04Å; Q28-F30 PolarHBondContact O-N 3.48Å; Q28-H70 PolarHBondContact O-CD2 3.11Å; Q28-K431 HydrophobicContact CG-CB 3.71Å
29V96.1Very high96.8Very high1 Ų176.5 Ų76.51%0.00638%0.379CS..SBendtrans-60.5-39.6-169.360.10000114.4R27 T69 H70 F76 H434R27-V29 PolarHBondContact O-N 3.19Å; V29-T69 WeakPolarHBondContact O-CA 3.32Å; V29-H70 PolarHBondContact O-N 3.21Å; V29-F76 HydrophobicContact CG2-CB 3.69Å; V29-F76 HydrophobicContact CG2-CD2 3.94Å; V29-F76 HydrophobicContact CG2-CG 4.33Å; V29-H434 HydrophobicContact CG1-CB 4.04Å; V29-H434 HydrophobicContact CG2-CB 4.13Å
30F95.6Very high96.7Very high74 Ų7478 Ų7833%0.32539%0.393SS..SBendtrans-113.7131.9-179.8-170.2-106.1000109.2Q28 T69 H434Q28-F30 WeakPolarHBondContact CG-O 3.23Å; Q28-F30 PolarHBondContact NE2-O 3.04Å; Q28-F30 PolarHBondContact O-N 3.48Å; F30-T69 HydrophobicContact CD2-CG2 4.19Å; F30-H434 HydrophobicContact CB-CB 4.41Å; F30-H434 AromaticContact CD2-CE1 3.6Å; F30-H434 AromaticContact CD2-ND1 3.82Å; F30-H434 AromaticContact CD2-NE2 3.75Å; F30-H434 AromaticContact CE2-CE1 3.79Å; F30-H434 AromaticContact CE2-NE2 3.96Å
31P95.4Very high96.7Very high17 Ų1780.7 Ų80.711%0.1141%0.41CS..  trans-70.7156.2-170.230.1-37000112.5V33 P66 T69P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.32Å; P31-P66 WeakPolarHBondContact CB-O 3.43Å; P31-T69 VanDerWaalsContact CD-OG1 3.23Å; P31-T69 WeakPolarHBondContact CD-OG1 3.28Å
32D94.5Very high96.6Very high105 Ų10583.5 Ų83.556%0.56142%0.424SS*.  trans-105.866.4175.9-166.310.4000110.7K431D32-K431 HydrophobicContact CB-CD 4.39Å; D32-K431 IonicContact OD1-NZ 3.79Å; D32-K431 PolarHBondContact OD1-NZ 3.07Å; D32-K431 IonicContact OD2-NZ 2.81Å; D32-K431 PolarHBondContact OD2-NZ 2.94Å
33V96.3Very high96.6Very high47 Ų4781.5 Ų81.529%0.28542%0.423SS..  trans-140.5149.9-176.3-60.20000110.6P31 Y37P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.32Å; V33-Y37 HydrophobicContact CB-CD1 3.6Å; V33-Y37 HydrophobicContact CB-CD2 4.07Å; V33-Y37 HydrophobicContact CB-CE1 4.13Å; V33-Y37 HydrophobicContact CB-CG 3.59Å; V33-Y37 HydrophobicContact CG1-CD1 4.19Å; V33-Y37 HydrophobicContact CG1-CD2 3.78Å; V33-Y37 HydrophobicContact CG1-CE1 4.47Å; V33-Y37 HydrophobicContact CG1-CE2 4.1Å; V33-Y37 HydrophobicContact CG1-CG 3.85Å; V33-Y37 HydrophobicContact CG2-CD1 3.53Å; V33-Y37 HydrophobicContact CG2-CE1 3.64Å; V33-Y37 HydrophobicContact CG2-CG 4.06Å
34E96.7Very high96.6Very high146 Ų14683.1 Ų83.168%0.68244%0.436SS*.  trans-96.7155.9174.8-67.8-59.6148.200111.6G36 Y37E34-G36 PolarHBondContact O-N 3.32Å; E34-Y37 WeakPolarHBondContact O-CB 3.36Å; E34-Y37 PolarHBondContact O-N 2.81Å; E34-Y37 VanDerWaalsContact O-N 3.08Å
35P98Very high96.6Very high129 Ų12987.7 Ų87.784%0.83847%0.467SS*.THydrogen-bonded Turntrans-51.5127174.1-27.335.8000112.1
36G97.4Very high96.8Very high55 Ų5588.9 Ų88.957%0.56749%0.485SS*.THydrogen-bonded Turntrans95.7-5.5-178.200000115.6E34 L38 R39 P40E34-G36 PolarHBondContact O-N 3.32Å; G36-L38 PolarHBondContact O-N 3.17Å; G36-R39 PolarHBondContact O-N 2.95Å; G36-P40 VanDerWaalsContact O-CD 3.28Å; G36-P40 WeakPolarHBondContact O-CD 3.25Å
37Y97.9Very high96.8Very high70 Ų7084.7 Ų84.728%0.27548%0.475SS..THydrogen-bonded Turntrans-52.8-32.4-177.383.1-80000114.7V33 E34 P40 L41 G67V33-Y37 HydrophobicContact CB-CD1 3.6Å; V33-Y37 HydrophobicContact CB-CD2 4.07Å; V33-Y37 HydrophobicContact CB-CE1 4.13Å; V33-Y37 HydrophobicContact CB-CG 3.59Å; V33-Y37 HydrophobicContact CG1-CD1 4.19Å; V33-Y37 HydrophobicContact CG1-CD2 3.78Å; V33-Y37 HydrophobicContact CG1-CE1 4.47Å; V33-Y37 HydrophobicContact CG1-CE2 4.1Å; V33-Y37 HydrophobicContact CG1-CG 3.85Å; V33-Y37 HydrophobicContact CG2-CD1 3.53Å; V33-Y37 HydrophobicContact CG2-CE1 3.64Å; V33-Y37 HydrophobicContact CG2-CG 4.06Å; E34-Y37 WeakPolarHBondContact O-CB 3.36Å; E34-Y37 PolarHBondContact O-N 2.81Å; E34-Y37 VanDerWaalsContact O-N 3.08Å; Y37-P40 WeakPolarHBondContact O-CD 3.29Å; Y37-P40 WeakPolarHBondContact O-CG 3.4Å; Y37-L41 HydrophobicContact CD2-CD1 4.26Å; Y37-G67 WeakPolarHBondContact OH-CA 3.38Å
38L98Very high96.9Very high54 Ų5490 Ų9028%0.28350%0.503SS..THydrogen-bonded Turntrans-76.8-33.7-173.1-172.863.4000112.8G36 L41 I42 I63G36-L38 PolarHBondContact O-N 3.17Å; L38-L41 WeakPolarHBondContact O-CB 3.24Å; L38-L41 PolarHBondContact O-N 3.37Å; L38-I42 HydrophobicContact CD1-CD1 3.95Å; L38-I42 HydrophobicContact CD1-CG1 4.26Å; L38-I42 HydrophobicContact CD2-CD1 4.05Å; L38-I42 HydrophobicContact CG-CD1 3.75Å; L38-I42 HydrophobicContact CG-CG1 4.28Å; L38-I42 PolarHBondContact O-N 3.42Å; L38-I63 HydrophobicContact CD1-CG2 3.36Å
39R97.5Very high97Very high159 Ų15991.7 Ų91.760%0.652%0.515SS*.G310 helixtrans-55.5-48.3-175.6-178.964.2-173.4-145.58.1113.3G36 L41 I42 D44G36-R39 PolarHBondContact O-N 2.95Å; R39-L41 PolarHBondContact O-N 2.9Å; R39-I42 PolarHBondContact O-N 3.44Å; R39-D44 IonicContact CZ-OD1 3.82Å; R39-D44 IonicContact NE-OD1 2.79Å; R39-D44 PolarHBondContact NE-OD1 3.32Å; R39-D44 IonicContact NH2-OD1 3.3Å; R39-D44 PolarHBondContact NH2-OD1 2.94Å
40P97.2Very high97.1Very high107 Ų10797.7 Ų97.770%0.69555%0.554SS**G310 helixtrans-70.7-9178.529.4-37.4000114.1G36 Y37G36-P40 VanDerWaalsContact O-CD 3.28Å; G36-P40 WeakPolarHBondContact O-CD 3.25Å; Y37-P40 WeakPolarHBondContact O-CD 3.29Å; Y37-P40 WeakPolarHBondContact O-CG 3.4Å
41L97.1Very high97.2Very high88 Ų8899.5 Ų99.546%0.46156%0.563SS.*G310 helixtrans-92.9-13.5179-56.9179.2000113.1Y37 L38 R39 I63Y37-L41 HydrophobicContact CD2-CD1 4.26Å; L38-L41 WeakPolarHBondContact O-CB 3.24Å; L38-L41 PolarHBondContact O-N 3.37Å; R39-L41 PolarHBondContact O-N 2.9Å; L41-I63 HydrophobicContact CB-CG2 3.88Å; L41-I63 HydrophobicContact CD1-CG2 4.21Å
42I96.4Very high97.3Very high80 Ų80100.7 Ų100.741%0.4157%0.572SS.*SBendtrans-112.8140.1-177.9-60.8-174000108.9L38 R39 I63L38-I42 HydrophobicContact CD1-CD1 3.95Å; L38-I42 HydrophobicContact CD1-CG1 4.26Å; L38-I42 HydrophobicContact CD2-CD1 4.05Å; L38-I42 HydrophobicContact CG-CD1 3.75Å; L38-I42 HydrophobicContact CG-CG1 4.28Å; L38-I42 PolarHBondContact O-N 3.42Å; R39-I42 PolarHBondContact O-N 3.44Å; I42-I63 HydrophobicContact CG1-CG2 4.33Å
43P96.5Very high97.4Very high95 Ų9597.8 Ų97.862%0.61755%0.554SS**  trans-53.3145173-26.835.5000112.9C45P43-C45 PolarHBondContact O-N 3.45Å; P43-C45 VanDerWaalsContact O-N 3.17Å
44D97.4Very high97.5Very high130 Ų13099 Ų9970%0.69556%0.557SS**SBendtrans-69.1-12.9-177.4-81.8-45.8000114.3R39R39-D44 IonicContact CZ-OD1 3.82Å; R39-D44 IonicContact NE-OD1 2.79Å; R39-D44 PolarHBondContact NE-OD1 3.32Å; R39-D44 IonicContact NH2-OD1 3.3Å; R39-D44 PolarHBondContact NH2-OD1 2.94Å
45C97.8Very high97.5Very high99 Ų9995.3 Ų95.367%0.66954%0.542SS*.SBendtrans-137.3156.8174.761.30000111.1P43P43-C45 PolarHBondContact O-N 3.45Å; P43-C45 VanDerWaalsContact O-N 3.17Å
46A98.1Very high97.5Very high87 Ų8792.8 Ų92.872%0.71952%0.524SS*.  trans-62149.4172.400000111
47P97.8Very high97.5Very high79 Ų7992.7 Ų92.751%0.51351%0.508SS..  trans-67.8138179.731.7-38000110.7D49 E51P47-D49 WeakPolarHBondContact CB-O 3.45Å; P47-E51 HydrophobicContact CB-CG 4.19Å; P47-E51 HydrophobicContact CG-CG 4.3Å
48Q98.1Very high97.5Very high179 Ų17995.3 Ų95.384%0.83652%0.521SS*.SBendtrans-72.9-36.1176.5179.459.247.500111.7
49D97.9Very high97.6Very high125 Ų12595.1 Ų95.167%0.66852%0.52SS*.SBendtrans-110.7150.8179.3-64.8-56.1000109.9P47 E51P47-D49 WeakPolarHBondContact CB-O 3.45Å; D49-E51 PolarHBondContact O-N 3.49Å
50P97Very high97.6Very high127 Ų12789.1 Ų89.183%0.82550%0.5SS*.PPolyproline II helixtrans-63.9134.8-179.226.6-34.7000111.9
51E97.6Very high97.6Very high111 Ų11187.4 Ų87.452%0.51948%0.483SS..PPolyproline II helixtrans-83.5158.4169.4-62.7-175.4-10000111.3P47 D49 V56P47-E51 HydrophobicContact CB-CG 4.19Å; P47-E51 HydrophobicContact CG-CG 4.3Å; D49-E51 PolarHBondContact O-N 3.49Å; E51-V56 HydrophobicContact CB-CG2 4.43Å
52S97.3Very high97.6Very high42 Ų4290.4 Ų90.429%0.29449%0.492SS..PPolyproline II helixtrans-71.9150.4176.380.80000111E54 D55 V56S52-E54 PolarHBondContact O-N 3.2Å; S52-D55 PolarHBondContact O-N 3.39Å; S52-D55 PolarHBondContact OG-N 3.19Å; S52-D55 VanDerWaalsContact OG-N 3.13Å; S52-D55 PolarHBondContact OG-OD2 2.76Å; S52-V56 PolarHBondContact O-N 3.09Å
53F97.5Very high97.7Very high44 Ų4487.2 Ų87.219%0.19348%0.475CS..Hα-helixtrans-62.3-35.9173.7177.4-90.7000110.9M1 R9 E12 M13 D55 V56 F57M1-F53 HydrophobicContact CE-CB 4.48Å; M1-F53 HydrophobicContact CE-CD2 3.97Å; M1-F53 HydrophobicContact CE-CG 4.48Å; R9-F53 HydrophobicContact CB-CD1 4.22Å; R9-F53 HydrophobicContact CB-CD2 4.18Å; R9-F53 HydrophobicContact CB-CE1 3.96Å; R9-F53 HydrophobicContact CB-CE2 3.92Å; R9-F53 HydrophobicContact CB-CG 4.32Å; R9-F53 HydrophobicContact CB-CZ 3.79Å; R9-F53 VanDerWaalsContact CD-CD1 3.4Å; R9-F53 HydrophobicContact CG-CB 4.37Å; R9-F53 HydrophobicContact CG-CD1 3.78Å; R9-F53 HydrophobicContact CG-CD2 4.09Å; R9-F53 HydrophobicContact CG-CE1 4.01Å; R9-F53 HydrophobicContact CG-CE2 4.32Å; R9-F53 HydrophobicContact CG-CG 3.8Å; R9-F53 HydrophobicContact CG-CZ 4.27Å; E12-F53 WeakPolarHBondContact OE2-CE1 3.3Å; M13-F53 HydrophobicContact CE-CZ 4.42Å; F53-D55 VanDerWaalsContact C-N 3.27Å; F53-D55 PolarHBondContact O-N 2.97Å; F53-V56 PolarHBondContact O-N 3.32Å; F53-F57 HydrophobicContact CD1-CB 4.1Å; F53-F57 HydrophobicContact CE1-CB 3.8Å; F53-F57 AromaticContact CE1-CD2 3.58Å; F53-F57 HydrophobicContact CE1-CD2 3.58Å; F53-F57 HydrophobicContact CE1-CE2 4.37Å; F53-F57 AromaticContact CE1-CG 3.86Å; F53-F57 HydrophobicContact CE1-CG 3.86Å; F53-F57 HydrophobicContact CZ-CB 4.24Å; F53-F57 AromaticContact CZ-CD2 3.55Å; F53-F57 HydrophobicContact CZ-CD2 3.55Å; F53-F57 HydrophobicContact CZ-CE2 4.28Å; F53-F57 HydrophobicContact CZ-CG 4.24Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 3.21Å
54E97.9Very high97.8Very high74 Ų7486.3 Ų86.335%0.34647%0.465SS..Hα-helixtrans-56.6-40.8177.2-74.475.7-17400112.6R9 S52 K58R9-E54 IonicContact CZ-OE1 3.17Å; R9-E54 IonicContact NH1-OE1 3.77Å; R9-E54 PolarHBondContact NH1-OE1 3.37Å; R9-E54 IonicContact NH2-OE1 3.39Å; R9-E54 PolarHBondContact NH2-OE1 2.99Å; R9-E54 IonicContact NH2-OE2 3.86Å; S52-E54 PolarHBondContact O-N 3.2Å; E54-K58 WeakPolarHBondContact O-CD 3.49Å; E54-K58 WeakPolarHBondContact O-CG 3.39Å; E54-K58 PolarHBondContact O-N 3.36Å
55D97.4Very high97.8Very high67 Ų6781.3 Ų81.336%0.35844%0.437SS..Hα-helixtrans-73.4-45.4-179-61.2-35.5000110.8S52 F53 F57 K58 D59S52-D55 PolarHBondContact O-N 3.39Å; S52-D55 PolarHBondContact OG-N 3.19Å; S52-D55 VanDerWaalsContact OG-N 3.13Å; S52-D55 PolarHBondContact OG-OD2 2.76Å; F53-D55 VanDerWaalsContact C-N 3.27Å; F53-D55 PolarHBondContact O-N 2.97Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 2.78Å; D55-K58 PolarHBondContact O-N 2.9Å; D55-K58 IonicContact OD1-NZ 2.71Å; D55-K58 PolarHBondContact OD1-NZ 3.3Å; D55-D59 PolarHBondContact O-N 3.48Å; D55-D59 VanDerWaalsContact O-N 3.1Å
56V97.9Very high97.8Very high77 Ų7779.6 Ų79.647%0.46743%0.425SS..Hα-helixtrans-58.4-41173178.20000111.6E51 S52 F53 D59 I60E51-V56 HydrophobicContact CB-CG2 4.43Å; S52-V56 PolarHBondContact O-N 3.09Å; F53-V56 PolarHBondContact O-N 3.32Å; V56-D59 PolarHBondContact O-N 2.92Å; V56-I60 PolarHBondContact O-N 3.39Å
57F98.3Very high97.8Very high53 Ų5376.5 Ų76.523%0.23240%0.401CS..Hα-helixtrans-69.7-38.2-179.2-169.9-93.1000112.2M13 Y16 F53 D55 D59 I60M13-F57 HydrophobicContact CE-CD2 3.9Å; M13-F57 HydrophobicContact CE-CE2 3.83Å; M13-F57 HydrophobicContact SD-CE2 4.4Å; Y16-F57 AromaticContact CD2-CZ 3.99Å; Y16-F57 HydrophobicContact CD2-CZ 3.99Å; Y16-F57 HydrophobicContact CG-CE2 4.34Å; Y16-F57 AromaticContact CG-CZ 3.99Å; Y16-F57 HydrophobicContact CG-CZ 3.99Å; F53-F57 HydrophobicContact CD1-CB 4.1Å; F53-F57 HydrophobicContact CE1-CB 3.8Å; F53-F57 AromaticContact CE1-CD2 3.58Å; F53-F57 HydrophobicContact CE1-CD2 3.58Å; F53-F57 HydrophobicContact CE1-CE2 4.37Å; F53-F57 AromaticContact CE1-CG 3.86Å; F53-F57 HydrophobicContact CE1-CG 3.86Å; F53-F57 HydrophobicContact CZ-CB 4.24Å; F53-F57 AromaticContact CZ-CD2 3.55Å; F53-F57 HydrophobicContact CZ-CD2 3.55Å; F53-F57 HydrophobicContact CZ-CE2 4.28Å; F53-F57 HydrophobicContact CZ-CG 4.24Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 3.21Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 2.78Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 3.4Å; F57-I60 HydrophobicContact CD2-CD1 3.91Å; F57-I60 HydrophobicContact CE2-CD1 4.4Å; F57-I60 HydrophobicContact CG-CD1 4.42Å; F57-I60 WeakPolarHBondContact O-CB 3.42Å; F57-I60 PolarHBondContact O-N 2.97Å
58K97.9Very high97.8Very high125 Ų12574.7 Ų74.754%0.54339%0.389SS..Hα-helixtrans-61.4-38172.1-72.9164.8-157.4157.80111.6E54 D55 I60 E61 K62E54-K58 WeakPolarHBondContact O-CD 3.49Å; E54-K58 WeakPolarHBondContact O-CG 3.39Å; E54-K58 PolarHBondContact O-N 3.36Å; D55-K58 PolarHBondContact O-N 2.9Å; D55-K58 IonicContact OD1-NZ 2.71Å; D55-K58 PolarHBondContact OD1-NZ 3.3Å; K58-I60 PolarHBondContact O-N 3.34Å; K58-E61 PolarHBondContact O-N 2.93Å; K58-K62 WeakPolarHBondContact O-CB 3.46Å; K58-K62 PolarHBondContact O-N 2.98Å; K58-K62 VanDerWaalsContact O-N 3.17Å
59D98.3Very high97.8Very high49 Ų4967.7 Ų67.726%0.26236%0.358SS..Hα-helixtrans-68.3-19.2-178.8-77-14.7000113.3D55 V56 F57 E61 K62 I63 I64D55-D59 PolarHBondContact O-N 3.48Å; D55-D59 VanDerWaalsContact O-N 3.1Å; V56-D59 PolarHBondContact O-N 2.92Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 3.4Å; D59-E61 PolarHBondContact O-N 2.92Å; D59-K62 PolarHBondContact O-N 2.99Å; D59-K62 IonicContact OD1-NZ 3.29Å; D59-I63 HydrophobicContact CB-CB 4.49Å; D59-I63 HydrophobicContact CB-CD1 3.9Å; D59-I63 HydrophobicContact CB-CG1 4.21Å; D59-I63 VanDerWaalsContact CG-CD1 3.43Å; D59-I63 WeakPolarHBondContact O-CA 3.38Å; D59-I63 WeakPolarHBondContact O-CB 3.33Å; D59-I63 PolarHBondContact O-N 3.17Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.46Å; D59-I64 PolarHBondContact O-N 3.11Å; D59-I64 VanDerWaalsContact O-N 3.17Å
60I98.2Very high97.8Very high33 Ų3362.1 Ų62.117%0.16933%0.328CS..Iπ-helixtrans-57.3-52172.1-60.3174.1000110.5M13 Y16 V56 F57 K58 I64 M65M13-I60 HydrophobicContact CE-CD1 3.77Å; Y16-I60 HydrophobicContact CE1-CG2 3.98Å; Y16-I60 WeakPolarHBondContact OH-CG2 2.75Å; V56-I60 PolarHBondContact O-N 3.39Å; F57-I60 HydrophobicContact CD2-CD1 3.91Å; F57-I60 HydrophobicContact CE2-CD1 4.4Å; F57-I60 HydrophobicContact CG-CD1 4.42Å; F57-I60 WeakPolarHBondContact O-CB 3.42Å; F57-I60 PolarHBondContact O-N 2.97Å; K58-I60 PolarHBondContact O-N 3.34Å; I60-I64 WeakPolarHBondContact O-CB 3.34Å; I60-I64 PolarHBondContact O-N 3.38Å; I60-M65 HydrophobicContact CG2-CE 4.13Å; I60-M65 HydrophobicContact CG2-CG 4.36Å; I60-M65 WeakPolarHBondContact O-CG 3.41Å; I60-M65 PolarHBondContact O-N 2.96Å
61E97.8Very high97.9Very high72 Ų7260.9 Ų60.934%0.33631%0.307SS..Iπ-helixtrans-78.2-34.9179.6-73.7-65.4169.900112.8Y16 R27 K58 D59 P66Y16-E61 HydrophobicContact CE2-CG 4.08Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.28Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y16-E61 VanDerWaalsContact OH-CD 3.3Å; Y16-E61 PolarHBondContact OH-OE1 2.9Å; R27-E61 IonicContact CZ-OE1 3.15Å; R27-E61 IonicContact CZ-OE2 2.55Å; R27-E61 IonicContact NH1-OE1 3.72Å; R27-E61 IonicContact NH1-OE2 3.04Å; R27-E61 PolarHBondContact NH1-OE2 2.94Å; R27-E61 IonicContact NH2-OE1 2.69Å; R27-E61 PolarHBondContact NH2-OE1 3.04Å; R27-E61 IonicContact NH2-OE2 3.06Å; R27-E61 PolarHBondContact NH2-OE2 3.45Å; K58-E61 PolarHBondContact O-N 2.93Å; D59-E61 PolarHBondContact O-N 2.92Å; E61-P66 WeakPolarHBondContact O-CD 3.35Å
62K97.7Very high97.9Very high150 Ų15058 Ų5865%0.65229%0.294SS*.Iπ-helixtrans-76.3-38.6-174.4179.3-172.2166.8-157.70112.9K58 D59K58-K62 WeakPolarHBondContact O-CB 3.46Å; K58-K62 PolarHBondContact O-N 2.98Å; K58-K62 VanDerWaalsContact O-N 3.17Å; D59-K62 PolarHBondContact O-N 2.99Å; D59-K62 IonicContact OD1-NZ 3.29Å
63I97.6Very high97.9Very high13 Ų1356 Ų567%0.06728%0.28CS..Iπ-helixtrans-117.2-42.7-167.4-55.9-177.6000111.2L38 L41 I42 D59L38-I63 HydrophobicContact CD1-CG2 3.36Å; L41-I63 HydrophobicContact CB-CG2 3.88Å; L41-I63 HydrophobicContact CD1-CG2 4.21Å; I42-I63 HydrophobicContact CG1-CG2 4.33Å; D59-I63 HydrophobicContact CB-CB 4.49Å; D59-I63 HydrophobicContact CB-CD1 3.9Å; D59-I63 HydrophobicContact CB-CG1 4.21Å; D59-I63 VanDerWaalsContact CG-CD1 3.43Å; D59-I63 WeakPolarHBondContact O-CA 3.38Å; D59-I63 WeakPolarHBondContact O-CB 3.33Å; D59-I63 PolarHBondContact O-N 3.17Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.46Å
64I98.3Very high98Very high77 Ų7754 Ų5440%0.39527%0.271SS..Iπ-helixtrans-82.8-57.7-174.3-53.7-58.5000111.8D59 I60 P66 G67 V68D59-I64 PolarHBondContact O-N 3.11Å; D59-I64 VanDerWaalsContact O-N 3.17Å; I60-I64 WeakPolarHBondContact O-CB 3.34Å; I60-I64 PolarHBondContact O-N 3.38Å; I64-P66 VanDerWaalsContact C-N 3.33Å; I64-G67 PolarHBondContact O-N 3.41Å; I64-G67 VanDerWaalsContact O-N 3.12Å; I64-V68 HydrophobicContact CG2-CG2 4.07Å; I64-V68 WeakPolarHBondContact O-CG2 3.49Å
65M98.1Very high98Very high24 Ų2452.6 Ų52.612%0.11826%0.263CS..G310 helixtrans-55.6-33.6-174-73.7-61174.900115.4Y16 Y20 I60 G67 V68Y16-M65 HydrophobicContact CE1-CE 4.02Å; Y16-M65 WeakPolarHBondContact OH-CE 3.32Å; Y20-M65 HydrophobicContact CD2-CE 4.16Å; Y20-M65 HydrophobicContact CE2-CE 4.08Å; Y20-M65 HydrophobicContact CE2-SD 4.07Å; I60-M65 HydrophobicContact CG2-CE 4.13Å; I60-M65 HydrophobicContact CG2-CG 4.36Å; I60-M65 WeakPolarHBondContact O-CG 3.41Å; I60-M65 PolarHBondContact O-N 2.96Å; M65-G67 PolarHBondContact O-N 3.28Å; M65-V68 PolarHBondContact O-N 2.7Å; M65-V68 VanDerWaalsContact O-N 3.12Å; M65-V68 HydrophobicContact SD-CB 4.29Å; M65-V68 HydrophobicContact SD-CG2 4.08Å
66P97.3Very high98.1Very high64 Ų6449.5 Ų49.542%0.41625%0.246SC..G310 helixtrans-59.7-26.1177.3-27.637.3000114.9P31 E61 I64P31-P66 WeakPolarHBondContact CB-O 3.43Å; E61-P66 WeakPolarHBondContact O-CD 3.35Å; I64-P66 VanDerWaalsContact C-N 3.33Å
67G97.7Very high98.1Very high21 Ų2145.8 Ų45.822%0.21622%0.224CC..G310 helixtrans-106.69.9176.200000115Y37 I64 M65Y37-G67 WeakPolarHBondContact OH-CA 3.38Å; I64-G67 PolarHBondContact O-N 3.41Å; I64-G67 VanDerWaalsContact O-N 3.12Å; M65-G67 PolarHBondContact O-N 3.28Å
68V98.2Very high98.1Very high41 Ų4143.3 Ų43.325%0.24821%0.213CC..  trans-82.6122.4175.3172.50000109.5I64 M65 H70I64-V68 HydrophobicContact CG2-CG2 4.07Å; I64-V68 WeakPolarHBondContact O-CG2 3.49Å; M65-V68 PolarHBondContact O-N 2.7Å; M65-V68 VanDerWaalsContact O-N 3.12Å; M65-V68 HydrophobicContact SD-CB 4.29Å; M65-V68 HydrophobicContact SD-CG2 4.08Å; V68-H70 PolarHBondContact O-N 3.36Å
69T98.1Very high98.1Very high32 Ų3243 Ų4320%0.19621%0.209CC..  trans-72.7122.2159.1-58.10000108.7V29 F30 P31 W71 F76V29-T69 WeakPolarHBondContact O-CA 3.32Å; F30-T69 HydrophobicContact CD2-CG2 4.19Å; P31-T69 VanDerWaalsContact CD-OG1 3.23Å; P31-T69 WeakPolarHBondContact CD-OG1 3.28Å; T69-W71 PolarHBondContact O-N 2.97Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.73Å
70H98.1Very high98.1Very high9 Ų941.3 Ų41.34%0.04220%0.199CC..  trans-84.279.2-175.1-63.2-56.9000111.8Y20 I24 R27 Q28 V29 V68 H72 S73Y20-H70 AromaticContact CE2-CE1 3.77Å; Y20-H70 AromaticContact CE2-ND1 3.59Å; Y20-H70 AromaticContact CZ-ND1 3.66Å; Y20-H70 PolarHBondContact OH-ND1 2.81Å; I24-H70 HydrophobicContact CD1-CB 4.07Å; I24-H70 HydrophobicContact CG1-CB 4.07Å; R27-H70 VanDerWaalsContact CB-CD2 3.48Å; R27-H70 WeakPolarHBondContact CB-CD2 3.49Å; R27-H70 WeakPolarHBondContact CB-NE2 3.33Å; R27-H70 WeakPolarHBondContact CD-NE2 3.41Å; Q28-H70 PolarHBondContact O-CD2 3.11Å; V29-H70 PolarHBondContact O-N 3.21Å; V68-H70 PolarHBondContact O-N 3.36Å; H70-H72 PolarHBondContact O-N 3.32Å; H70-S73 WeakPolarHBondContact O-CB 3.46Å; H70-S73 PolarHBondContact O-N 2.96Å
71W98.2Very high98Very high100 Ų10039.9 Ų39.938%0.37919%0.193SC..THydrogen-bonded Turntrans-55.1-23.6-178.8-74.979.2000115.3T69 F76 Y79 A82T69-W71 PolarHBondContact O-N 2.97Å; W71-F76 HydrophobicContact CD2-CE1 4.06Å; W71-F76 AromaticContact CD2-CE2 3.93Å; W71-F76 HydrophobicContact CD2-CE2 3.93Å; W71-F76 AromaticContact CD2-CZ 3.47Å; W71-F76 HydrophobicContact CD2-CZ 3.47Å; W71-F76 VanDerWaalsContact CD2-CZ 3.47Å; W71-F76 AromaticContact CE2-CZ 3.91Å; W71-F76 AromaticContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE1 3.49Å; W71-F76 VanDerWaalsContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE2 4.18Å; W71-F76 AromaticContact CE3-CZ 3.26Å; W71-F76 HydrophobicContact CE3-CZ 3.26Å; W71-F76 HydrophobicContact CG-CE2 4.19Å; W71-F76 HydrophobicContact CG-CZ 4.13Å; W71-F76 AromaticContact CH2-CZ 3.97Å; W71-F76 HydrophobicContact CH2-CZ 3.97Å; W71-F76 HydrophobicContact CZ2-CZ 4.15Å; W71-F76 AromaticContact CZ3-CE1 3.86Å; W71-F76 HydrophobicContact CZ3-CE1 3.86Å; W71-F76 AromaticContact CZ3-CZ 3.53Å; W71-F76 HydrophobicContact CZ3-CZ 3.53Å; W71-Y79 AromaticContact CH2-CD2 3.55Å; W71-Y79 HydrophobicContact CH2-CD2 3.55Å; W71-Y79 HydrophobicContact CH2-CE2 4.05Å; W71-Y79 HydrophobicContact CH2-CG 4.12Å; W71-Y79 HydrophobicContact CZ2-CD2 4.21Å; W71-Y79 HydrophobicContact CZ2-CE2 4.29Å; W71-Y79 HydrophobicContact CZ3-CD2 4.07Å; W71-A82 HydrophobicContact CE3-CB 3.82Å; W71-A82 HydrophobicContact CZ3-CB 4.38Å
72H97.9Very high97.9Very high51 Ų5137.8 Ų37.824%0.23619%0.187CC..THydrogen-bonded Turntrans-96.52.3178.6-55.1-40.1000113.3L21 I24 H70 A82 S84 S452L21-H72 HydrophobicContact CD2-CB 4.23Å; I24-H72 HydrophobicContact CD1-CB 3.8Å; H70-H72 PolarHBondContact O-N 3.32Å; H72-A82 PolarHBondContact CE1-O 3.01Å; H72-A82 PolarHBondContact ND1-O 3.42Å; H72-S84 WeakPolarHBondContact CE1-CB 3.4Å; H72-S84 VanDerWaalsContact NE2-CB 3.29Å; H72-S84 WeakPolarHBondContact NE2-CB 3.4Å; H72-S452 WeakPolarHBondContact O-CB 3.47Å; H72-S452 PolarHBondContact O-OG 2.86Å
73S98.4Very high97.7Very high0 Ų031 Ų310%016%0.16CC..SBendtrans-63.3138.4173.4178.60000110.5H70 Y75 F76 S452H70-S73 WeakPolarHBondContact O-CB 3.46Å; H70-S73 PolarHBondContact O-N 2.96Å; S73-Y75 PolarHBondContact O-N 3.35Å; S73-Y75 VanDerWaalsContact O-N 3.08Å; S73-Y75 PolarHBondContact OG-N 3.24Å; S73-F76 WeakPolarHBondContact O-CB 3.08Å; S73-F76 PolarHBondContact O-N 2.97Å; S73-S452 WeakPolarHBondContact O-CB 3.5Å
74P98.3Very high97.6Very high2 Ų231 Ų311%0.01316%0.161CC..THydrogen-bonded Turntrans-65.8-5.317231-36.9000113.5D25 F77 V455 H459D25-P74 HydrophobicContact CB-CG 3.76Å; P74-F77 WeakPolarHBondContact O-CZ 3.42Å; P74-V455 HydrophobicContact CB-CB 4.36Å; P74-H459 HydrophobicContact CB-CB 4.22Å
75Y98.6Very high97.6Very high45 Ų4527.4 Ų27.418%0.17614%0.142CC..THydrogen-bonded Turntrans-102.13.9174.1-57.1-61.5000113.7D25 S73 F77 K432 I433 H434 H459 F462D25-Y75 HydrophobicContact CB-CE2 4.21Å; S73-Y75 PolarHBondContact O-N 3.35Å; S73-Y75 VanDerWaalsContact O-N 3.08Å; S73-Y75 PolarHBondContact OG-N 3.24Å; Y75-F77 WeakPolarHBondContact O-CD2 3.43Å; Y75-K432 WeakPolarHBondContact CB-O 3.18Å; Y75-I433 HydrophobicContact CD1-CG2 4.2Å; Y75-I433 VanDerWaalsContact O-CA 3.32Å; Y75-I433 WeakPolarHBondContact O-CA 3.43Å; Y75-H434 PolarHBondContact O-N 2.88Å; Y75-H434 VanDerWaalsContact O-N 3.1Å; Y75-H459 HydrophobicContact CE1-CB 4.26Å; Y75-H459 AromaticContact CE1-CD2 3.82Å; Y75-H459 AromaticContact CZ-CD2 3.68Å; Y75-F462 AromaticContact CD1-CD1 3.94Å; Y75-F462 HydrophobicContact CD1-CD1 3.94Å; Y75-F462 HydrophobicContact CD1-CE1 4.25Å; Y75-F462 AromaticContact CE1-CD1 3.42Å; Y75-F462 HydrophobicContact CE1-CD1 3.42Å; Y75-F462 VanDerWaalsContact CE1-CD1 3.42Å; Y75-F462 AromaticContact CE1-CE1 3.92Å; Y75-F462 HydrophobicContact CE1-CE1 3.92Å; Y75-F462 HydrophobicContact CE1-CG 4.18Å
76F98.6Very high97.6Very high1 Ų129.7 Ų29.70%0.00415%0.152CC..BIsolated β-bridgetrans-86.4111.2170.7-174.6-87.7000109.2V29 T69 W71 S73 A78 Y79 H434 C451V29-F76 HydrophobicContact CG2-CB 3.69Å; V29-F76 HydrophobicContact CG2-CD2 3.94Å; V29-F76 HydrophobicContact CG2-CG 4.33Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.73Å; W71-F76 HydrophobicContact CD2-CE1 4.06Å; W71-F76 AromaticContact CD2-CE2 3.93Å; W71-F76 HydrophobicContact CD2-CE2 3.93Å; W71-F76 AromaticContact CD2-CZ 3.47Å; W71-F76 HydrophobicContact CD2-CZ 3.47Å; W71-F76 VanDerWaalsContact CD2-CZ 3.47Å; W71-F76 AromaticContact CE2-CZ 3.91Å; W71-F76 AromaticContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE1 3.49Å; W71-F76 VanDerWaalsContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE2 4.18Å; W71-F76 AromaticContact CE3-CZ 3.26Å; W71-F76 HydrophobicContact CE3-CZ 3.26Å; W71-F76 HydrophobicContact CG-CE2 4.19Å; W71-F76 HydrophobicContact CG-CZ 4.13Å; W71-F76 AromaticContact CH2-CZ 3.97Å; W71-F76 HydrophobicContact CH2-CZ 3.97Å; W71-F76 HydrophobicContact CZ2-CZ 4.15Å; W71-F76 AromaticContact CZ3-CE1 3.86Å; W71-F76 HydrophobicContact CZ3-CE1 3.86Å; W71-F76 AromaticContact CZ3-CZ 3.53Å; W71-F76 HydrophobicContact CZ3-CZ 3.53Å; S73-F76 WeakPolarHBondContact O-CB 3.08Å; S73-F76 PolarHBondContact O-N 2.97Å; F76-A78 HydrophobicContact CE1-CB 4.18Å; F76-A78 WeakPolarHBondContact CE1-O 3.48Å; F76-A78 HydrophobicContact CE2-CB 4.08Å; F76-A78 HydrophobicContact CZ-CB 3.85Å; F76-Y79 AromaticContact CZ-CD2 3.94Å; F76-Y79 HydrophobicContact CZ-CD2 3.94Å; F76-H434 HydrophobicContact CD2-CB 4.48Å; F76-H434 AromaticContact CE2-CD2 3.75Å; F76-C451 HydrophobicContact CD1-CB 3.9Å; F76-C451 WeakPolarHBondContact O-CB 3.48Å
77F98.7Very high97.6Very high0 Ų027.2 Ų27.20%014%0.136CC..  trans-12314.8178.6-56.7-76.2000112.4P74 Y75 I433 H434 L435 F448 A449 I450 V455 A463P74-F77 WeakPolarHBondContact O-CZ 3.42Å; Y75-F77 WeakPolarHBondContact O-CD2 3.43Å; F77-I433 HydrophobicContact CD2-CB 4.21Å; F77-I433 HydrophobicContact CD2-CG2 4.41Å; F77-I433 HydrophobicContact CE2-CB 4.41Å; F77-I433 HydrophobicContact CE2-CG2 4.1Å; F77-H434 CarbonylContact C-O 3.34Å; F77-H434 WeakPolarHBondContact CA-O 3.18Å; F77-H434 PolarHBondContact N-O 3.21Å; F77-L435 HydrophobicContact CB-CD2 3.54Å; F77-L435 HydrophobicContact CG-CD2 4.5Å; F77-F448 HydrophobicContact CB-CD2 3.93Å; F77-F448 HydrophobicContact CB-CE2 3.98Å; F77-F448 HydrophobicContact CB-CG 4.29Å; F77-F448 HydrophobicContact CB-CZ 4.4Å; F77-F448 HydrophobicContact CD1-CD1 4.15Å; F77-F448 HydrophobicContact CD1-CD2 4.35Å; F77-F448 AromaticContact CD1-CE1 3.56Å; F77-F448 HydrophobicContact CD1-CE1 3.56Å; F77-F448 AromaticContact CD1-CE2 3.78Å; F77-F448 HydrophobicContact CD1-CE2 3.78Å; F77-F448 AromaticContact CD1-CZ 3.34Å; F77-F448 HydrophobicContact CD1-CZ 3.34Å; F77-F448 HydrophobicContact CD2-CD2 4.25Å; F77-F448 AromaticContact CD2-CE2 3.48Å; F77-F448 HydrophobicContact CD2-CE2 3.48Å; F77-F448 VanDerWaalsContact CD2-CE2 3.48Å; F77-F448 AromaticContact CD2-CZ 3.76Å; F77-F448 HydrophobicContact CD2-CZ 3.76Å; F77-F448 AromaticContact CE1-CE1 3.68Å; F77-F448 HydrophobicContact CE1-CE1 3.68Å; F77-F448 HydrophobicContact CE1-CE2 4.08Å; F77-F448 AromaticContact CE1-CZ 3.31Å; F77-F448 HydrophobicContact CE1-CZ 3.31Å; F77-F448 AromaticContact CE2-CE2 3.79Å; F77-F448 HydrophobicContact CE2-CE2 3.79Å; F77-F448 AromaticContact CE2-CZ 3.72Å; F77-F448 HydrophobicContact CE2-CZ 3.72Å; F77-F448 AromaticContact CG-CD2 3.95Å; F77-F448 HydrophobicContact CG-CD2 3.95Å; F77-F448 HydrophobicContact CG-CE1 4.11Å; F77-F448 AromaticContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CE2 3.47Å; F77-F448 VanDerWaalsContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CG 4.44Å; F77-F448 AromaticContact CG-CZ 3.57Å; F77-F448 HydrophobicContact CG-CZ 3.57Å; F77-F448 HydrophobicContact CZ-CE1 4.32Å; F77-F448 HydrophobicContact CZ-CE2 4.08Å; F77-F448 AromaticContact CZ-CZ 3.51Å; F77-F448 HydrophobicContact CZ-CZ 3.51Å; F77-A449 VanDerWaalsContact CA-O 3.25Å; F77-A449 WeakPolarHBondContact CA-O 3.41Å; F77-A449 WeakPolarHBondContact CD1-O 3.48Å; F77-A449 PolarHBondContact O-N 3.26Å; F77-I450 HydrophobicContact CD1-CD1 4.49Å; F77-I450 HydrophobicContact CE1-CD1 4.32Å; F77-V455 HydrophobicContact CE1-CG2 4.11Å; F77-A463 HydrophobicContact CD2-CB 4.4Å; F77-A463 HydrophobicContact CE2-CB 3.63Å; F77-A463 HydrophobicContact CZ-CB 4.08Å
78A97.6Very high97.7Very high0 Ų026.2 Ų26.20%013%0.125CC..SBendtrans-83.8158.5-179.400000112.4F76 F80 H434 V436F76-A78 HydrophobicContact CE1-CB 4.18Å; F76-A78 WeakPolarHBondContact CE1-O 3.48Å; F76-A78 HydrophobicContact CE2-CB 4.08Å; F76-A78 HydrophobicContact CZ-CB 3.85Å; A78-F80 PolarHBondContact O-N 2.94Å; A78-H434 WeakPolarHBondContact CB-CD2 3.48Å; A78-H434 PolarHBondContact N-O 3.27Å; A78-H434 VanDerWaalsContact N-O 3.12Å; A78-V436 HydrophobicContact CB-CG1 3.89Å; A78-V436 HydrophobicContact CB-CG2 4.24Å
79Y98.2Very high97.7Very high119 Ų11926.4 Ų26.447%0.46713%0.125SC..SBendtrans53.6-130.3176.8-52.7-77.5000113W71 F76 V436 R447 A449W71-Y79 AromaticContact CH2-CD2 3.55Å; W71-Y79 HydrophobicContact CH2-CD2 3.55Å; W71-Y79 HydrophobicContact CH2-CE2 4.05Å; W71-Y79 HydrophobicContact CH2-CG 4.12Å; W71-Y79 HydrophobicContact CZ2-CD2 4.21Å; W71-Y79 HydrophobicContact CZ2-CE2 4.29Å; W71-Y79 HydrophobicContact CZ3-CD2 4.07Å; F76-Y79 AromaticContact CZ-CD2 3.94Å; F76-Y79 HydrophobicContact CZ-CD2 3.94Å; Y79-V436 HydrophobicContact CD1-CG1 4.5Å; Y79-V436 HydrophobicContact CD1-CG2 4.14Å; Y79-V436 HydrophobicContact CD2-CG1 4.44Å; Y79-V436 HydrophobicContact CE1-CG1 4.04Å; Y79-V436 HydrophobicContact CE1-CG2 4.41Å; Y79-V436 HydrophobicContact CE2-CG1 3.99Å; Y79-V436 HydrophobicContact CG-CG2 4.33Å; Y79-V436 VanDerWaalsContact N-CG2 3.28Å; Y79-R447 PolarHBondContact O-NH1 3.2Å; Y79-R447 PolarHBondContact O-NH2 3.44Å; Y79-A449 WeakPolarHBondContact O-CB 3.22Å
80F98.4Very high97.7Very high13 Ų1329 Ų296%0.05714%0.137CC..SBendtrans-122.1163.3161.3-82.2-51.7000107.4A78 C249 Y274 K303 L408A78-F80 PolarHBondContact O-N 2.94Å; F80-C249 HydrophobicContact CZ-CB 4.43Å; F80-Y274 HydrophobicContact CB-CD2 4.1Å; F80-Y274 HydrophobicContact CB-CG 4.47Å; F80-Y274 AromaticContact CD1-CD1 3.7Å; F80-Y274 HydrophobicContact CD1-CD1 3.7Å; F80-Y274 AromaticContact CD1-CD2 3.52Å; F80-Y274 HydrophobicContact CD1-CD2 3.52Å; F80-Y274 AromaticContact CD1-CE1 3.87Å; F80-Y274 HydrophobicContact CD1-CE1 3.87Å; F80-Y274 AromaticContact CD1-CE2 3.72Å; F80-Y274 HydrophobicContact CD1-CE2 3.72Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.88Å; F80-Y274 HydrophobicContact CD2-CD2 4.47Å; F80-Y274 HydrophobicContact CD2-CG 4.02Å; F80-Y274 AromaticContact CE1-CD1 3.23Å; F80-Y274 HydrophobicContact CE1-CD1 3.23Å; F80-Y274 AromaticContact CE1-CD2 3.99Å; F80-Y274 HydrophobicContact CE1-CD2 3.99Å; F80-Y274 AromaticContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE2 4.14Å; F80-Y274 AromaticContact CE1-CG 3.55Å; F80-Y274 HydrophobicContact CE1-CG 3.55Å; F80-Y274 AromaticContact CE1-CZ 3.86Å; F80-Y274 HydrophobicContact CE2-CD1 4.11Å; F80-Y274 HydrophobicContact CE2-CG 4Å; F80-Y274 HydrophobicContact CG-CD1 4.34Å; F80-Y274 AromaticContact CG-CD2 3.81Å; F80-Y274 HydrophobicContact CG-CD2 3.81Å; F80-Y274 HydrophobicContact CG-CE2 4.4Å; F80-Y274 AromaticContact CG-CG 3.77Å; F80-Y274 HydrophobicContact CG-CG 3.77Å; F80-Y274 AromaticContact CZ-CD1 3.46Å; F80-Y274 HydrophobicContact CZ-CD1 3.46Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.46Å; F80-Y274 HydrophobicContact CZ-CE1 4.04Å; F80-Y274 AromaticContact CZ-CG 3.79Å; F80-Y274 HydrophobicContact CZ-CG 3.79Å; F80-K303 HydrophobicContact CB-CD 4.4Å; F80-L408 HydrophobicContact CE1-CB 4.17Å; F80-L408 HydrophobicContact CE1-CD2 4.03Å; F80-L408 HydrophobicContact CZ-CD2 4.11Å
81P96.6Very high97.8Very high4 Ų428.5 Ų28.53%0.02614%0.135CC..  trans-63.7149-174.3-4.816.1000111.3Y274 K303 W304 C451P81-Y274 HydrophobicContact CG-CE2 4.11Å; P81-K303 CarbonylContact C-O 3.59Å; P81-K303 VanDerWaalsContact CB-O 3.26Å; P81-K303 WeakPolarHBondContact CB-O 3.43Å; P81-K303 CarbonylContact O-C 3.51Å; P81-K303 WeakPolarHBondContact O-CA 3.49Å; P81-W304 HydrophobicContact CG-CG 4.46Å; P81-C451 HydrophobicContact CB-CB 3.77Å; P81-C451 HydrophobicContact CG-CB 4.17Å
82A95.9Very high97.7Very high27 Ų2725.6 Ų25.622%0.22313%0.127CC..  trans-106.199.1159.500000106W71 H72 H302W71-A82 HydrophobicContact CE3-CB 3.82Å; W71-A82 HydrophobicContact CZ3-CB 4.38Å; H72-A82 PolarHBondContact CE1-O 3.01Å; H72-A82 PolarHBondContact ND1-O 3.42Å; A82-H302 CarbonylContact C-O 3.49Å; A82-H302 WeakPolarHBondContact CA-O 3.48Å
83A92.2Very high97.8Very high9 Ų928.2 Ų28.27%0.07414%0.14CC..  trans-67.4152.9-174.300000111.1H302 K303 L306 V307 N308A83-H302 PolarHBondContact N-O 2.96Å; A83-K303 WeakPolarHBondContact CB-O 3.39Å; A83-K303 PolarHBondContact N-O 3.47Å; A83-L306 VanDerWaalsContact CB-N 3.32Å; A83-V307 CarbonylContact C-O 3.59Å; A83-N308 VanDerWaalsContact O-CA 3.29Å; A83-N308 WeakPolarHBondContact O-CA 3.36Å
84S95.3Very high97.8Very high13 Ų1332 Ų329%0.09116%0.16CC..  trans-160.7150.9174.1-176.20000110.1H72H72-S84 WeakPolarHBondContact CE1-CB 3.4Å; H72-S84 VanDerWaalsContact NE2-CB 3.29Å; H72-S84 WeakPolarHBondContact NE2-CB 3.4Å
85S98.4Very high97.8Very high1 Ų132.6 Ų32.61%0.00716%0.164CC..  trans-154.4156.9178.9670000111.9A88 L89 L306 Y369S85-A88 WeakPolarHBondContact O-CB 3.17Å; S85-A88 PolarHBondContact O-N 2.85Å; S85-A88 VanDerWaalsContact O-N 3.09Å; S85-A88 PolarHBondContact OG-N 2.87Å; S85-L89 WeakPolarHBondContact O-CG 3.39Å; S85-L89 PolarHBondContact O-N 2.77Å; S85-L306 VanDerWaalsContact CB-O 3.3Å; S85-L306 WeakPolarHBondContact CB-O 3.37Å; S85-L306 PolarHBondContact N-O 2.97Å; S85-L306 PolarHBondContact OG-O 3.01Å; S85-Y369 VanDerWaalsContact CB-OH 3.26Å; S85-Y369 WeakPolarHBondContact CB-OH 3.33Å
86F98.6Very high97.7Very high72 Ų7233.4 Ų33.432%0.31619%0.186SC..Hα-helixtrans-57.3-41.8177.1-60.9-60000113.5L21 A88 L89 L90L21-F86 HydrophobicContact CB-CZ 4.41Å; L21-F86 HydrophobicContact CD1-CD1 4.37Å; L21-F86 HydrophobicContact CD1-CE1 3.73Å; L21-F86 HydrophobicContact CD1-CZ 4.31Å; F86-A88 VanDerWaalsContact C-N 3.29Å; F86-A88 PolarHBondContact O-N 2.95Å; F86-L89 HydrophobicContact CD1-CD1 4.23Å; F86-L89 PolarHBondContact O-N 2.92Å; F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.41Å
87P98.7Very high97.7Very high12 Ų1236.6 Ų36.68%0.07822%0.219CC..Hα-helixtrans-55.2-42.1172.1-30.738.7000113.8A91 F364 V365 M368 Y369P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 3.21Å; P87-F364 HydrophobicContact CB-CB 4.28Å; P87-V365 HydrophobicContact CB-CG2 4.22Å; P87-M368 HydrophobicContact CB-CB 4.21Å; P87-M368 HydrophobicContact CB-CE 4.5Å; P87-M368 HydrophobicContact CB-CG 4.42Å; P87-M368 HydrophobicContact CB-SD 3.62Å; P87-M368 HydrophobicContact CG-CB 3.94Å; P87-M368 HydrophobicContact CG-CE 4.07Å; P87-M368 HydrophobicContact CG-CG 4.47Å; P87-M368 HydrophobicContact CG-SD 3.79Å; P87-Y369 HydrophobicContact CG-CD2 4.38Å; P87-Y369 HydrophobicContact CG-CE2 3.82Å
88A98.5Very high97.6Very high0 Ų040.6 Ų40.60%024%0.239CC..Hα-helixtrans-68.7-40.2-179.800000111.7S85 F86 A91 D92 N308 K361 V365S85-A88 WeakPolarHBondContact O-CB 3.17Å; S85-A88 PolarHBondContact O-N 2.85Å; S85-A88 VanDerWaalsContact O-N 3.09Å; S85-A88 PolarHBondContact OG-N 2.87Å; F86-A88 VanDerWaalsContact C-N 3.29Å; F86-A88 PolarHBondContact O-N 2.95Å; A88-A91 PolarHBondContact O-N 3.03Å; A88-D92 PolarHBondContact O-N 3.17Å; A88-N308 WeakPolarHBondContact CB-OD1 3.27Å; A88-K361 HydrophobicContact CB-CB 4.33Å; A88-V365 HydrophobicContact CB-CG2 3.71Å
89L98.6Very high97.5Very high45 Ų4543.2 Ų43.224%0.23627%0.267CS..Hα-helixtrans-62.7-45.3175.4-64.2173.9000112.1I17 L21 S85 F86 A91 D92 M93I17-L89 HydrophobicContact CG2-CD1 3.95Å; L21-L89 HydrophobicContact CD1-CD1 3.97Å; S85-L89 WeakPolarHBondContact O-CG 3.39Å; S85-L89 PolarHBondContact O-N 2.77Å; F86-L89 HydrophobicContact CD1-CD1 4.23Å; F86-L89 PolarHBondContact O-N 2.92Å; L89-A91 VanDerWaalsContact C-N 3.29Å; L89-A91 PolarHBondContact O-N 2.99Å; L89-D92 PolarHBondContact O-N 3Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.42Å
90L98.8Very high97.4Very high85 Ų8539 Ų3945%0.44525%0.254SS..Hα-helixtrans-61.5-39.1176-70.7173.7000112F86 M93 L94 F364F86-L90 WeakPolarHBondContact O-CG 3.47Å; F86-L90 PolarHBondContact O-N 3.41Å; L90-M93 HydrophobicContact CD2-SD 4.22Å; L90-M93 WeakPolarHBondContact O-CB 3.17Å; L90-M93 PolarHBondContact O-N 3.05Å; L90-L94 PolarHBondContact O-N 2.98Å; L90-F364 HydrophobicContact CB-CE2 4.47Å
91A98.6Very high97.2Very high0 Ų041.8 Ų41.80%027%0.272CS..Hα-helixtrans-68.7-38.6176.500000112.7P87 A88 L89 M93 L94 C95 L360 K361 F364P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 3.21Å; A88-A91 PolarHBondContact O-N 3.03Å; L89-A91 VanDerWaalsContact C-N 3.29Å; L89-A91 PolarHBondContact O-N 2.99Å; A91-M93 VanDerWaalsContact C-N 3.34Å; A91-L94 CarbonylContact O-C 3.59Å; A91-L94 PolarHBondContact O-N 3.48Å; A91-C95 WeakPolarHBondContact O-CB 3.47Å; A91-C95 PolarHBondContact O-N 2.83Å; A91-L360 HydrophobicContact CB-CG 4.28Å; A91-K361 HydrophobicContact CB-CB 3.62Å; A91-F364 HydrophobicContact CB-CB 3.93Å; A91-F364 HydrophobicContact CB-CD1 4Å; A91-F364 HydrophobicContact CB-CD2 3.83Å; A91-F364 HydrophobicContact CB-CE1 4.47Å; A91-F364 HydrophobicContact CB-CE2 4.31Å; A91-F364 HydrophobicContact CB-CG 3.67Å
92D97.9Very high97.1Very high39 Ų3941.6 Ų41.621%0.20927%0.271CS..Hα-helixtrans-69.3-32.7175.3-90.3-2.1000111.7A88 L89 C95 G96 N308 K361A88-D92 PolarHBondContact O-N 3.17Å; L89-D92 PolarHBondContact O-N 3Å; D92-C95 PolarHBondContact O-N 3.07Å; D92-G96 PolarHBondContact O-N 3.37Å; D92-N308 PolarHBondContact OD2-ND2 3.47Å; D92-N308 PolarHBondContact OD2-OD1 3.07Å; D92-K361 VanDerWaalsContact OD1-CD 3.31Å; D92-K361 WeakPolarHBondContact OD1-CD 3.46Å; D92-K361 IonicContact OD1-NZ 2.8Å; D92-K361 IonicContact OD2-NZ 2.66Å; D92-K361 PolarHBondContact OD2-NZ 2.84Å
93M98.4Very high96.8Very high105 Ų10543 Ų4352%0.51727%0.272SS..Hα-helixtrans-59.2-45.9168.1-69.71726800111.3V14 L89 L90 A91 G96 G97V14-M93 HydrophobicContact CG2-CE 3.94Å; V14-M93 HydrophobicContact CG2-SD 4.31Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.42Å; L90-M93 HydrophobicContact CD2-SD 4.22Å; L90-M93 WeakPolarHBondContact O-CB 3.17Å; L90-M93 PolarHBondContact O-N 3.05Å; A91-M93 VanDerWaalsContact C-N 3.34Å; M93-G96 PolarHBondContact O-N 3.11Å; M93-G97 PolarHBondContact O-N 3.41Å
94L98.5Very high96.8Very high80 Ų8042.9 Ų42.942%0.41927%0.27SS..Hα-helixtrans-67.5-39176.9-17958.3000112L90 A91 G96 G97 I98 L360 F364L90-L94 PolarHBondContact O-N 2.98Å; A91-L94 CarbonylContact O-C 3.59Å; A91-L94 PolarHBondContact O-N 3.48Å; L94-G96 VanDerWaalsContact C-N 3.3Å; L94-G96 PolarHBondContact O-N 2.78Å; L94-G97 PolarHBondContact O-N 2.65Å; L94-G97 VanDerWaalsContact O-N 3.16Å; L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.21Å; L94-I98 HydrophobicContact CG-CD1 4.05Å; L94-I98 HydrophobicContact CG-CG1 4.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 2.78Å; L94-L360 HydrophobicContact CB-CD2 3.99Å; L94-L360 HydrophobicContact CD2-CD1 4.49Å; L94-L360 HydrophobicContact CD2-CD2 3.9Å; L94-L360 HydrophobicContact CG-CD2 3.81Å; L94-F364 HydrophobicContact CD2-CZ 4.16Å
95C97.9Very high96.7Very high15 Ų1544.7 Ų44.710%0.10128%0.275CS..Hα-helixtrans-58.7-44174.5-1780000110.8A91 D92 G97 I98 G99 L360A91-C95 WeakPolarHBondContact O-CB 3.47Å; A91-C95 PolarHBondContact O-N 2.83Å; D92-C95 PolarHBondContact O-N 3.07Å; C95-G97 VanDerWaalsContact C-N 3.34Å; C95-I98 PolarHBondContact O-N 3.17Å; C95-G99 PolarHBondContact O-N 3.27Å; C95-L360 HydrophobicContact CB-CD2 4.31Å
96G97.4Very high96.4Very high61 Ų6147 Ų4763%0.62929%0.294SS*.Hα-helixtrans-63.5-38.1174.800000113D92 M93 L94D92-G96 PolarHBondContact O-N 3.37Å; M93-G96 PolarHBondContact O-N 3.11Å; L94-G96 VanDerWaalsContact C-N 3.3Å; L94-G96 PolarHBondContact O-N 2.78Å
97G97.9Very high96.2Very high68 Ų6845.5 Ų45.570%0.70130%0.296SS*.Hα-helixtrans-69.4-37.9176.500000114.4M93 L94 C95M93-G97 PolarHBondContact O-N 3.41Å; L94-G97 PolarHBondContact O-N 2.65Å; L94-G97 VanDerWaalsContact O-N 3.16Å; C95-G97 VanDerWaalsContact C-N 3.34Å
98I97.9Very high96Very high84 Ų8445.9 Ų45.943%0.43130%0.298SS..Hα-helixtrans-70.2-42174.9-66.9169.9000110.5L94 C95 C100 F357 L360L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.21Å; L94-I98 HydrophobicContact CG-CD1 4.05Å; L94-I98 HydrophobicContact CG-CG1 4.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.33Å; L94-I98 PolarHBondContact O-N 2.78Å; C95-I98 PolarHBondContact O-N 3.17Å; I98-C100 HydrophobicContact CG2-CB 3.9Å; I98-C100 PolarHBondContact O-N 3.3Å; I98-C100 VanDerWaalsContact O-N 3.1Å; I98-F357 HydrophobicContact CD1-CD2 4.23Å; I98-F357 HydrophobicContact CD1-CE2 4.32Å; I98-L360 HydrophobicContact CD1-CD2 4.43Å
99G94.8Very high95.9Very high56 Ų5648.3 Ų48.358%0.57731%0.314SS*.  trans61.820.1173.300000115.4C95C95-G99 PolarHBondContact O-N 3.27Å
100C95.9Very high95.8Very high30 Ų3048.8 Ų48.820%0.20333%0.325CS..  trans-78.3157-177.272.60000112.9I98 S108I98-C100 HydrophobicContact CG2-CB 3.9Å; I98-C100 PolarHBondContact O-N 3.3Å; I98-C100 VanDerWaalsContact O-N 3.1Å; C100-S108 PolarHBondContact SG-OG 3.01Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å
101V95Very high95.7Very high72 Ų7244.8 Ų44.844%0.43630%0.304SS..  trans-118.4110.1173.2-169.40000109F103 A107V101-F103 HydrophobicContact CB-CD1 4.27Å; V101-F103 HydrophobicContact CG1-CD1 3.8Å; V101-F103 PolarHBondContact O-N 2.91Å; V101-A107 VanDerWaalsContact O-CB 3.29Å; V101-A107 WeakPolarHBondContact O-CB 3.38Å
102G93.3Very high95.6Very high0 Ų044.8 Ų44.80%030%0.304CS..  trans-93.848.9-172.600000114.4S104 R355G102-S104 VanDerWaalsContact C-N 3.31Å; G102-R355 VanDerWaalsContact C-CG 3.5Å; G102-R355 PolarHBondContact N-O 3.38Å; G102-R355 WeakPolarHBondContact O-CD 3.38Å; G102-R355 WeakPolarHBondContact O-CG 3.03Å; G102-R355 PolarHBondContact O-NH1 3.35Å
103F91.1Very high95.5Very high57 Ų5747.2 Ų47.225%0.2531%0.314CS..SBendtrans-70.3-27.1-178.957.1-104.2000113.2V101 A107 L333 R347 L353V101-F103 HydrophobicContact CB-CD1 4.27Å; V101-F103 HydrophobicContact CG1-CD1 3.8Å; V101-F103 PolarHBondContact O-N 2.91Å; F103-A107 HydrophobicContact CD1-CB 4.22Å; F103-A107 HydrophobicContact CD2-CB 4.17Å; F103-A107 HydrophobicContact CE1-CB 3.89Å; F103-A107 HydrophobicContact CE2-CB 3.83Å; F103-A107 HydrophobicContact CG-CB 4.34Å; F103-A107 HydrophobicContact CZ-CB 3.68Å; F103-L333 HydrophobicContact CD2-CD2 3.97Å; F103-L333 HydrophobicContact CE2-CD2 3.75Å; F103-L333 HydrophobicContact CZ-CD2 4.45Å; F103-R347 WeakPolarHBondContact O-CB 3.4Å; F103-R347 VanDerWaalsContact O-CD 3.3Å; F103-R347 WeakPolarHBondContact O-CD 3.46Å; F103-R347 WeakPolarHBondContact O-CG 3.36Å; F103-L353 HydrophobicContact CB-CD1 3.85Å; F103-L353 HydrophobicContact CB-CG 4.02Å; F103-L353 WeakPolarHBondContact CB-O 3.23Å; F103-L353 HydrophobicContact CG-CD1 4.32Å; F103-L353 HydrophobicContact CG-CG 4.42Å
104S91Very high95.5Very high5 Ų543.8 Ų43.84%0.03530%0.298CS..SBendtrans-131.9163.1168.563.40000109G102 A106 A107 D345G102-S104 VanDerWaalsContact C-N 3.31Å; S104-A106 PolarHBondContact O-N 3.11Å; S104-A107 WeakPolarHBondContact O-CB 3.48Å; S104-A107 PolarHBondContact O-N 3.1Å; S104-A107 PolarHBondContact OG-N 3.36Å; S104-D345 VanDerWaalsContact CA-OD1 3.29Å; S104-D345 WeakPolarHBondContact CA-OD1 3.25Å; S104-D345 WeakPolarHBondContact CB-OD1 3.35Å
105W93.3Very high95.5Very high51 Ų5140 Ų4019%0.19328%0.278CS..THydrogen-bonded Turntrans-57.3-41.6171.5179.197000111.8A107 S108 P109 T112 E113 H337 V343 D345W105-A107 PolarHBondContact O-N 3.03Å; W105-S108 CarbonylContact O-C 3.31Å; W105-S108 PolarHBondContact O-N 3.26Å; W105-P109 HydrophobicContact CD2-CB 4.19Å; W105-P109 HydrophobicContact CD2-CG 4.16Å; W105-P109 HydrophobicContact CE3-CG 4.26Å; W105-P109 HydrophobicContact CH2-CB 4.45Å; W105-P109 HydrophobicContact CH2-CG 4.12Å; W105-P109 HydrophobicContact CZ2-CB 3.87Å; W105-P109 HydrophobicContact CZ2-CG 4.04Å; W105-P109 HydrophobicContact CZ3-CG 4.23Å; W105-P109 VanDerWaalsContact O-CA 3.29Å; W105-P109 WeakPolarHBondContact O-CA 3Å; W105-P109 WeakPolarHBondContact O-CD 3.4Å; W105-P109 WeakPolarHBondContact O-CG 3.47Å; W105-T112 HydrophobicContact CB-CG2 4.47Å; W105-E113 PolarHBondContact NE1-OE1 3.06Å; W105-H337 HydrophobicContact CE3-CB 4.48Å; W105-H337 AromaticContact CE3-CD2 4Å; W105-H337 AromaticContact CZ3-CD2 3.39Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.42Å; W105-H337 AromaticContact CZ3-NE2 3.8Å; W105-V343 HydrophobicContact CB-CG1 3.14Å; W105-V343 HydrophobicContact CD2-CG1 4.25Å; W105-V343 HydrophobicContact CD2-CG2 4.41Å; W105-V343 HydrophobicContact CG-CG1 3.47Å; W105-V343 VanDerWaalsContact CG-CG1 3.47Å; W105-V343 HydrophobicContact CG-CG2 4.32Å; W105-D345 PolarHBondContact N-OD1 2.72Å; W105-D345 VanDerWaalsContact N-OD1 3.11Å
106A92.9Very high95.4Very high49 Ų4940.5 Ų40.541%0.40528%0.28SS..THydrogen-bonded Turntrans-63.8-28.3-179.900000113.3S104 H335S104-A106 PolarHBondContact O-N 3.11Å; A106-H335 HydrophobicContact CB-CB 3.76Å
107A93.4Very high95.4Very high42 Ų4240.5 Ų40.535%0.34727%0.268SS..THydrogen-bonded Turntrans-70.1-34.3178.300000112.6V101 F103 S104 W105V101-A107 VanDerWaalsContact O-CB 3.29Å; V101-A107 WeakPolarHBondContact O-CB 3.38Å; F103-A107 HydrophobicContact CD1-CB 4.22Å; F103-A107 HydrophobicContact CD2-CB 4.17Å; F103-A107 HydrophobicContact CE1-CB 3.89Å; F103-A107 HydrophobicContact CE2-CB 3.83Å; F103-A107 HydrophobicContact CG-CB 4.34Å; F103-A107 HydrophobicContact CZ-CB 3.68Å; S104-A107 WeakPolarHBondContact O-CB 3.48Å; S104-A107 PolarHBondContact O-N 3.1Å; S104-A107 PolarHBondContact OG-N 3.36Å; W105-A107 PolarHBondContact O-N 3.03Å
108S95.9Very high95.5Very high19 Ų1937.3 Ų37.313%0.13324%0.235CC..  trans-164.994.4172.2-1720000110.1C100 W105 A110 C111 T112C100-S108 PolarHBondContact SG-OG 3.01Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å; W105-S108 CarbonylContact O-C 3.31Å; W105-S108 PolarHBondContact O-N 3.26Å; S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 3.14Å; S108-C111 VanDerWaalsContact O-CB 3.29Å; S108-C111 WeakPolarHBondContact O-CB 3.3Å; S108-C111 PolarHBondContact O-N 3.12Å; S108-T112 PolarHBondContact O-N 3.1Å
109P95.6Very high95.5Very high52 Ų5233.3 Ų33.334%0.33821%0.214SC..Hα-helixtrans-55.8-44.7-175.1-31.336.9000112.8W105 C111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.19Å; W105-P109 HydrophobicContact CD2-CG 4.16Å; W105-P109 HydrophobicContact CE3-CG 4.26Å; W105-P109 HydrophobicContact CH2-CB 4.45Å; W105-P109 HydrophobicContact CH2-CG 4.12Å; W105-P109 HydrophobicContact CZ2-CB 3.87Å; W105-P109 HydrophobicContact CZ2-CG 4.04Å; W105-P109 HydrophobicContact CZ3-CG 4.23Å; W105-P109 VanDerWaalsContact O-CA 3.29Å; W105-P109 WeakPolarHBondContact O-CA 3Å; W105-P109 WeakPolarHBondContact O-CD 3.4Å; W105-P109 WeakPolarHBondContact O-CG 3.47Å; P109-C111 VanDerWaalsContact C-N 3.25Å; P109-C111 PolarHBondContact O-N 3.04Å; P109-T112 PolarHBondContact O-N 3.22Å; P109-T112 VanDerWaalsContact O-N 3.11Å; P109-E113 WeakPolarHBondContact O-CB 3.02Å; P109-E113 WeakPolarHBondContact O-CG 3.36Å; P109-E113 PolarHBondContact O-N 2.92Å
110A97.1Very high95.7Very high55 Ų5531.4 Ų31.446%0.45519%0.191SC..Hα-helixtrans-60.1-33.8178.600000113.2S108 T112 L114 F357S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 3.14Å; A110-T112 VanDerWaalsContact C-N 3.29Å; A110-T112 PolarHBondContact O-N 2.91Å; A110-L114 WeakPolarHBondContact O-CB 3.44Å; A110-L114 PolarHBondContact O-N 3.21Å; A110-L114 VanDerWaalsContact O-N 3.1Å; A110-F357 HydrophobicContact CB-CE2 4.24Å; A110-F357 HydrophobicContact CB-CZ 4Å; A110-F357 WeakPolarHBondContact O-CE1 3.32Å; A110-F357 VanDerWaalsContact O-CZ 3.29Å; A110-F357 WeakPolarHBondContact O-CZ 3.41Å
111C97.1Very high95.8Very high0 Ų035.1 Ų35.10%020%0.201CC..Hα-helixtrans-65.1-34.4178.3-171.60000112.3S108 P109 R355 F357S108-C111 VanDerWaalsContact O-CB 3.29Å; S108-C111 WeakPolarHBondContact O-CB 3.3Å; S108-C111 PolarHBondContact O-N 3.12Å; P109-C111 VanDerWaalsContact C-N 3.25Å; P109-C111 PolarHBondContact O-N 3.04Å; C111-R355 PolarHBondContact SG-NH1 2.92Å; C111-R355 VanDerWaalsContact SG-NH1 3.36Å; C111-F357 HydrophobicContact CB-CD1 4.18Å; C111-F357 HydrophobicContact CB-CD2 4.45Å; C111-F357 HydrophobicContact CB-CE1 4.41Å; C111-F357 HydrophobicContact CB-CG 4.19Å
112T95.8Very high96Very high1 Ų131.7 Ų31.71%0.00618%0.18CC..Hα-helixtrans-84.5-53.3177.2-66.20000111.3W105 S108 P109 A110 L114 E115 T116 T344 Y346W105-T112 HydrophobicContact CB-CG2 4.47Å; S108-T112 PolarHBondContact O-N 3.1Å; P109-T112 PolarHBondContact O-N 3.22Å; P109-T112 VanDerWaalsContact O-N 3.11Å; A110-T112 VanDerWaalsContact C-N 3.29Å; A110-T112 PolarHBondContact O-N 2.91Å; T112-L114 PolarHBondContact O-N 3.34Å; T112-E115 WeakPolarHBondContact O-CB 3.35Å; T112-E115 PolarHBondContact O-N 3.32Å; T112-E115 VanDerWaalsContact O-N 3.12Å; T112-T116 PolarHBondContact O-N 3.32Å; T112-T116 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-OG1 2.94Å; T112-T344 WeakPolarHBondContact CG2-O 3.41Å; T112-Y346 HydrophobicContact CG2-CD2 3.94Å; T112-Y346 HydrophobicContact CG2-CE2 3.94Å
113E95.9Very high96.3Very high90 Ų9031.7 Ų31.742%0.42118%0.18SC..Hα-helixtrans-60.5-45.3-173.9-65.9-77.3-177.200111.9W105 P109 E115 T116 V117W105-E113 PolarHBondContact NE1-OE1 3.06Å; P109-E113 WeakPolarHBondContact O-CB 3.02Å; P109-E113 WeakPolarHBondContact O-CG 3.36Å; P109-E113 PolarHBondContact O-N 2.92Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.12Å; E113-T116 PolarHBondContact O-N 3.26Å; E113-V117 WeakPolarHBondContact O-CG2 3.32Å; E113-V117 PolarHBondContact O-N 3.35Å; E113-V117 VanDerWaalsContact O-N 3.09Å
114L98.3Very high96.6Very high33 Ų3335 Ų3517%0.17319%0.194CC..Hα-helixtrans-64.1-36.6178.9-175.663000111.1A110 T112 V117 V118 F357 L360 W363A110-L114 WeakPolarHBondContact O-CB 3.44Å; A110-L114 PolarHBondContact O-N 3.21Å; A110-L114 VanDerWaalsContact O-N 3.1Å; T112-L114 PolarHBondContact O-N 3.34Å; L114-V117 PolarHBondContact O-N 3.05Å; L114-V118 HydrophobicContact CD1-CG1 4.02Å; L114-V118 HydrophobicContact CG-CG1 4.27Å; L114-V118 WeakPolarHBondContact O-CG1 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.45Å; L114-V118 PolarHBondContact O-N 3.08Å; L114-F357 HydrophobicContact CB-CE1 3.95Å; L114-F357 HydrophobicContact CB-CZ 4.31Å; L114-F357 HydrophobicContact CD2-CE1 3.64Å; L114-F357 HydrophobicContact CD2-CZ 3.91Å; L114-F357 HydrophobicContact CG-CE1 4.34Å; L114-L360 HydrophobicContact CD2-CD1 4.18Å; L114-W363 HydrophobicContact CD1-CB 4.37Å; L114-W363 HydrophobicContact CD1-CD2 4.23Å; L114-W363 HydrophobicContact CD1-CG 3.9Å; L114-W363 HydrophobicContact CD2-CB 4.18Å; L114-W363 HydrophobicContact CD2-CD2 4.44Å; L114-W363 HydrophobicContact CD2-CG 4.29Å
115E98.4Very high97Very high0 Ų035.8 Ų35.80%020%0.198CC..Hα-helixtrans-63-47.8177.3-174.7150.412200112.1T112 E113 V117 V118 L119 I144 Y346 R355 S359T112-E115 WeakPolarHBondContact O-CB 3.35Å; T112-E115 PolarHBondContact O-N 3.32Å; T112-E115 VanDerWaalsContact O-N 3.12Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.12Å; E115-V117 VanDerWaalsContact C-N 3.3Å; E115-V117 PolarHBondContact O-N 3Å; E115-V118 WeakPolarHBondContact O-CG2 3.39Å; E115-V118 PolarHBondContact O-N 2.85Å; E115-L119 HydrophobicContact CG-CD1 3.69Å; E115-L119 HydrophobicContact CG-CG 4.22Å; E115-L119 WeakPolarHBondContact O-CB 3.21Å; E115-L119 WeakPolarHBondContact O-CG 3.23Å; E115-L119 PolarHBondContact O-N 3.27Å; E115-I144 VanDerWaalsContact CD-CG1 3.5Å; E115-I144 HydrophobicContact CG-CD1 4.14Å; E115-I144 HydrophobicContact CG-CG1 3.96Å; E115-I144 PolarHBondContact OE1-N 2.87Å; E115-I144 WeakPolarHBondContact OE2-CD1 3.33Å; E115-I144 WeakPolarHBondContact OE2-CG1 3.41Å; E115-Y346 HydrophobicContact CB-CE2 4.02Å; E115-Y346 HydrophobicContact CG-CE2 4.09Å; E115-R355 IonicContact OE1-CZ 2.78Å; E115-R355 IonicContact OE1-NH2 2.79Å; E115-R355 PolarHBondContact OE1-NH2 3.44Å; E115-R355 IonicContact OE2-CZ 3.18Å; E115-R355 IonicContact OE2-NH2 2.93Å; E115-R355 PolarHBondContact OE2-NH2 3.35Å; E115-S359 VanDerWaalsContact CA-CB 3.45Å; E115-S359 PolarHBondContact N-OG 2.8Å
116T96.5Very high97.2Very high25 Ų2533.3 Ų33.315%0.15319%0.188CC..Hα-helixtrans-53.6-49.7174.8-52.10000110.8T112 E113 L119 D120 A134 Y346T112-T116 PolarHBondContact O-N 3.32Å; T112-T116 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-OG1 2.94Å; E113-T116 PolarHBondContact O-N 3.26Å; T116-L119 PolarHBondContact O-N 2.84Å; T116-D120 PolarHBondContact O-N 3.25Å; T116-A134 HydrophobicContact CG2-CB 3.5Å; T116-A134 VanDerWaalsContact CG2-CB 3.5Å; T116-Y346 PolarHBondContact OG1-OH 3.17Å
117V97.4Very high97.5Very high62 Ų6235.8 Ų35.838%0.37620%0.195SC..Hα-helixtrans-62.8-49-178.2171.30000112E113 L114 E115 L119 D120 W121E113-V117 WeakPolarHBondContact O-CG2 3.32Å; E113-V117 PolarHBondContact O-N 3.35Å; E113-V117 VanDerWaalsContact O-N 3.09Å; L114-V117 PolarHBondContact O-N 3.05Å; E115-V117 VanDerWaalsContact C-N 3.3Å; E115-V117 PolarHBondContact O-N 3Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 2.93Å; V117-D120 PolarHBondContact O-N 2.61Å; V117-W121 HydrophobicContact CG1-CD2 4.38Å; V117-W121 HydrophobicContact CG1-CZ2 3.97Å; V117-W121 VanDerWaalsContact O-CD1 3.24Å; V117-W121 PolarHBondContact O-N 3.01Å
118V98.5Very high97.7Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-72.3-27.6-175.9-60.90000112.9L114 E115 W121 L122 L362 W363L114-V118 HydrophobicContact CD1-CG1 4.02Å; L114-V118 HydrophobicContact CG-CG1 4.27Å; L114-V118 WeakPolarHBondContact O-CG1 3.38Å; L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.45Å; L114-V118 PolarHBondContact O-N 3.08Å; E115-V118 WeakPolarHBondContact O-CG2 3.39Å; E115-V118 PolarHBondContact O-N 2.85Å; V118-W121 PolarHBondContact O-N 3.36Å; V118-L122 VanDerWaalsContact O-CB 3.28Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 PolarHBondContact O-N 3.42Å; V118-L362 HydrophobicContact CB-CD2 4.27Å; V118-L362 HydrophobicContact CB-CG 4.48Å; V118-L362 HydrophobicContact CG2-CD2 3.82Å; V118-L362 HydrophobicContact CG2-CG 4.33Å; V118-W363 HydrophobicContact CG1-CB 3.85Å; V118-W363 HydrophobicContact CG1-CG 4.13Å
119L98.7Very high97.8Very high0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-76.7-29.7174.3-69.4-179.5000112.5E115 T116 V117 L122 G123 G142 V143 I144 A313 W315 L362E115-L119 HydrophobicContact CG-CD1 3.69Å; E115-L119 HydrophobicContact CG-CG 4.22Å; E115-L119 WeakPolarHBondContact O-CB 3.21Å; E115-L119 WeakPolarHBondContact O-CG 3.23Å; E115-L119 PolarHBondContact O-N 3.27Å; T116-L119 PolarHBondContact O-N 2.84Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 2.93Å; L119-L122 HydrophobicContact CD2-CD2 4.36Å; L119-G123 PolarHBondContact O-N 3.47Å; L119-G142 WeakPolarHBondContact CD1-O 3.12Å; L119-V143 VanDerWaalsContact CD1-C 3.48Å; L119-V143 VanDerWaalsContact CD1-CA 3.41Å; L119-I144 HydrophobicContact CD1-CG1 3.96Å; L119-I144 HydrophobicContact CD2-CG1 3.99Å; L119-I144 HydrophobicContact CG-CG1 4.23Å; L119-A313 HydrophobicContact CD2-CB 3.81Å; L119-W315 HydrophobicContact CB-CZ2 4.41Å; L119-W315 HydrophobicContact CD2-CH2 4.36Å; L119-W315 HydrophobicContact CD2-CZ2 3.94Å; L119-W315 WeakPolarHBondContact O-CZ2 3.42Å; L119-W315 PolarHBondContact O-NE1 2.87Å; L119-L362 HydrophobicContact CD2-CD2 4.25Å
120D98.4Very high97.8Very high17 Ų1739.7 Ų39.79%0.09120%0.202CC..Hα-helixtrans-66.2-42166.6-90.319.4000111.3T116 V117 K124 A134 G135T116-D120 PolarHBondContact O-N 3.25Å; V117-D120 PolarHBondContact O-N 2.61Å; D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 2.74Å; D120-A134 PolarHBondContact OD1-N 3.18Å; D120-G135 PolarHBondContact OD2-N 3.28Å
121W98.7Very high97.8Very high107 Ų10741.1 Ų41.141%0.40520%0.199SC..Hα-helixtrans-59.6-49.6173.5-69.55.6000111.1V117 V118 K124 M125 W363 L366 R367V117-W121 HydrophobicContact CG1-CD2 4.38Å; V117-W121 HydrophobicContact CG1-CZ2 3.97Å; V117-W121 VanDerWaalsContact O-CD1 3.24Å; V117-W121 PolarHBondContact O-N 3.01Å; V118-W121 PolarHBondContact O-N 3.36Å; W121-K124 PolarHBondContact O-N 3.49Å; W121-M125 VanDerWaalsContact O-CG 3.26Å; W121-M125 WeakPolarHBondContact O-CG 3.21Å; W121-M125 PolarHBondContact O-N 2.99Å; W121-W363 AromaticContact CH2-NE1 3.98Å; W121-W363 AromaticContact CZ3-CD1 3.86Å; W121-L366 HydrophobicContact CE3-CD1 4.44Å; W121-R367 HydrophobicContact CZ3-CG 4.34Å
122L98.8Very high97.8Very high0 Ų041.1 Ų41.10%020%0.199CC..Hα-helixtrans-65.3-42.5-177.6-171.760.9000111.8V118 L119 K124 M125 I126 F299 P301 L305 A313 W315 L362V118-L122 VanDerWaalsContact O-CB 3.28Å; V118-L122 WeakPolarHBondContact O-CB 3.4Å; V118-L122 PolarHBondContact O-N 3.42Å; L119-L122 HydrophobicContact CD2-CD2 4.36Å; L122-K124 PolarHBondContact O-N 3.3Å; L122-M125 HydrophobicContact CD1-CE 4.4Å; L122-M125 HydrophobicContact CD1-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.3Å; L122-M125 PolarHBondContact O-N 2.66Å; L122-I126 WeakPolarHBondContact O-CG1 3.16Å; L122-I126 PolarHBondContact O-N 3.21Å; L122-I126 VanDerWaalsContact O-N 3.16Å; L122-F299 HydrophobicContact CD1-CZ 3.76Å; L122-F299 HydrophobicContact CD2-CE1 3.99Å; L122-F299 HydrophobicContact CD2-CZ 3.69Å; L122-F299 HydrophobicContact CG-CE1 4.04Å; L122-F299 HydrophobicContact CG-CZ 3.74Å; L122-P301 HydrophobicContact CD2-CG 3.89Å; L122-L305 HydrophobicContact CD1-CD2 3.7Å; L122-A313 HydrophobicContact CD2-CB 3.99Å; L122-W315 HydrophobicContact CB-CH2 4.34Å; L122-W315 HydrophobicContact CB-CZ2 4.03Å; L122-W315 HydrophobicContact CD2-CH2 3.68Å; L122-W315 HydrophobicContact CD2-CZ2 4.12Å; L122-W315 HydrophobicContact CG-CH2 3.87Å; L122-W315 HydrophobicContact CG-CZ2 4.08Å; L122-L362 HydrophobicContact CD2-CD1 4.36Å; L122-L362 HydrophobicContact CD2-CD2 3.99Å
123G98.7Very high97.9Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-60.1-42.7174.700000112.4L119 I126 N127 L128L119-G123 PolarHBondContact O-N 3.47Å; G123-I126 WeakPolarHBondContact O-CG1 3.4Å; G123-I126 PolarHBondContact O-N 3.36Å; G123-N127 PolarHBondContact O-N 2.81Å; G123-N127 VanDerWaalsContact O-N 3.17Å; G123-L128 PolarHBondContact O-N 3.34Å
124K98.6Very high97.8Very high126 Ų12638.3 Ų38.355%0.54819%0.189SC..Hα-helixtrans-64.2-39.6173.4-70.9169.5-173.3176.50112.3D120 W121 L122 I126 N127 L133D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 WeakPolarHBondContact O-CD 3.32Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 2.74Å; W121-K124 PolarHBondContact O-N 3.49Å; L122-K124 PolarHBondContact O-N 3.3Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.11Å; K124-N127 PolarHBondContact O-N 2.71Å; K124-N127 VanDerWaalsContact O-N 3.1Å; K124-L133 HydrophobicContact CD-CD1 4.41Å; K124-L133 HydrophobicContact CG-CD1 3.74Å
125M98.6Very high97.2Very high22 Ų2239.2 Ų39.211%0.10821%0.206CC..Hα-helixtrans-60.4-39.1178.6-74.6168.657.600112.3W121 L122 N127 I280 R285 L366 V371 L374W121-M125 VanDerWaalsContact O-CG 3.26Å; W121-M125 WeakPolarHBondContact O-CG 3.21Å; W121-M125 PolarHBondContact O-N 2.99Å; L122-M125 HydrophobicContact CD1-CE 4.4Å; L122-M125 HydrophobicContact CD1-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.3Å; L122-M125 PolarHBondContact O-N 2.66Å; M125-N127 VanDerWaalsContact C-N 3.32Å; M125-I280 HydrophobicContact CB-CG2 4.25Å; M125-I280 HydrophobicContact CE-CB 4.45Å; M125-I280 HydrophobicContact CE-CG2 3.94Å; M125-I280 WeakPolarHBondContact O-CA 2.98Å; M125-R285 PolarHBondContact O-NH2 3.14Å; M125-L366 HydrophobicContact CE-CD2 3.68Å; M125-L366 HydrophobicContact SD-CD1 4.45Å; M125-L366 HydrophobicContact SD-CD2 3.71Å; M125-V371 HydrophobicContact CE-CG1 4.43Å; M125-V371 HydrophobicContact CE-CG2 4.01Å; M125-V371 HydrophobicContact CG-CG2 4.07Å; M125-V371 HydrophobicContact SD-CG2 4.02Å; M125-L374 HydrophobicContact CE-CD1 4.26Å
126I98.5Very high96.1Very high0 Ų048.3 Ų48.30%025%0.246CC..THydrogen-bonded Turntrans-89.44.2177.664162.8000113.7L122 G123 K124 L128 F279 I280 L288 F297 F299L122-I126 WeakPolarHBondContact O-CG1 3.16Å; L122-I126 PolarHBondContact O-N 3.21Å; L122-I126 VanDerWaalsContact O-N 3.16Å; G123-I126 WeakPolarHBondContact O-CG1 3.4Å; G123-I126 PolarHBondContact O-N 3.36Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.11Å; I126-L128 HydrophobicContact CD1-CD1 3.72Å; I126-L128 HydrophobicContact CD1-CD2 4.14Å; I126-L128 HydrophobicContact CD1-CG 3.55Å; I126-L128 HydrophobicContact CG1-CD1 4.24Å; I126-L128 HydrophobicContact CG1-CG 3.81Å; I126-F279 HydrophobicContact CB-CB 3.85Å; I126-F279 HydrophobicContact CG2-CB 4.05Å; I126-I280 HydrophobicContact CG2-CG2 3.72Å; I126-L288 WeakPolarHBondContact O-CD2 3.39Å; I126-F297 HydrophobicContact CD1-CD1 4.25Å; I126-F297 HydrophobicContact CD1-CE1 3.4Å; I126-F297 VanDerWaalsContact CD1-CE1 3.4Å; I126-F297 HydrophobicContact CD1-CZ 3.91Å; I126-F299 HydrophobicContact CD1-CD1 4.25Å; I126-F299 HydrophobicContact CD1-CE1 3.84Å; I126-F299 HydrophobicContact CG2-CE1 4.32Å; I126-F299 HydrophobicContact CG2-CZ 4.22Å
127N98Very high95.3Very high101 Ų10153.8 Ų53.854%0.5427%0.274SS..THydrogen-bonded Turntrans59.742.1-179.1-160.768.4000113.7G123 K124 M125G123-N127 PolarHBondContact O-N 2.81Å; G123-N127 VanDerWaalsContact O-N 3.17Å; K124-N127 PolarHBondContact O-N 2.71Å; K124-N127 VanDerWaalsContact O-N 3.1Å; M125-N127 VanDerWaalsContact C-N 3.32Å
128L98.3Very high94.6Very high12 Ų1251.8 Ų51.86%0.06327%0.266CS..  trans-64.9147.8169.2-79.6177.2000111G123 I126 F132 V291 F297 W315G123-L128 PolarHBondContact O-N 3.34Å; I126-L128 HydrophobicContact CD1-CD1 3.72Å; I126-L128 HydrophobicContact CD1-CD2 4.14Å; I126-L128 HydrophobicContact CD1-CG 3.55Å; I126-L128 HydrophobicContact CG1-CD1 4.24Å; I126-L128 HydrophobicContact CG1-CG 3.81Å; L128-F132 HydrophobicContact CB-CB 4.36Å; L128-F132 HydrophobicContact CD1-CB 4.3Å; L128-F132 HydrophobicContact CD2-CD2 4.34Å; L128-V291 HydrophobicContact CD2-CG2 3.65Å; L128-F297 HydrophobicContact CD1-CD1 4.06Å; L128-F297 HydrophobicContact CD1-CE1 4.48Å; L128-F297 HydrophobicContact CD2-CB 4.47Å; L128-F297 HydrophobicContact CD2-CD1 3.99Å; L128-F297 HydrophobicContact CD2-CD2 4.44Å; L128-F297 HydrophobicContact CD2-CE1 4.33Å; L128-F297 HydrophobicContact CD2-CG 4.06Å; L128-W315 HydrophobicContact CD1-CB 4.27Å; L128-W315 HydrophobicContact CD1-CD2 3.63Å; L128-W315 HydrophobicContact CD1-CE3 3.96Å; L128-W315 HydrophobicContact CD1-CG 3.78Å
129P97.6Very high94.2Very high22 Ų2260.8 Ų60.814%0.14330%0.3CS..  trans-52.8146.9170.4-24.530.6000112.6E131 F132 V291 E292P129-E131 VanDerWaalsContact CB-OE2 3.22Å; P129-E131 WeakPolarHBondContact CB-OE2 3.47Å; P129-E131 PolarHBondContact O-N 2.91Å; P129-E131 VanDerWaalsContact O-N 3.13Å; P129-F132 HydrophobicContact CB-CD2 3.99Å; P129-F132 HydrophobicContact CB-CE2 4.39Å; P129-F132 HydrophobicContact CG-CD2 3.97Å; P129-F132 HydrophobicContact CG-CE2 4.03Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-V291 HydrophobicContact CG-CG1 3.97Å; P129-E292 HydrophobicContact CG-CB 4.23Å
130E96.5Very high94Very high161 Ų16160.8 Ų60.875%0.75230%0.3SS*.G310 helixtrans-58.9-29-177.5-173.4173.6-171.400112.2F132 L133E130-F132 PolarHBondContact O-N 3.17Å; E130-F132 VanDerWaalsContact O-N 3.17Å; E130-L133 WeakPolarHBondContact O-CB 3.33Å; E130-L133 PolarHBondContact O-N 3.12Å
131E96.1Very high93.9Very high84 Ų8460 Ų6039%0.39330%0.296SS..G310 helixtrans-64.2-19177.9-54.6101.2114.600113.9P129 G140 K317P129-E131 VanDerWaalsContact CB-OE2 3.22Å; P129-E131 WeakPolarHBondContact CB-OE2 3.47Å; P129-E131 PolarHBondContact O-N 2.91Å; P129-E131 VanDerWaalsContact O-N 3.13Å; E131-G140 VanDerWaalsContact O-CA 3.26Å; E131-G140 WeakPolarHBondContact O-CA 3.34Å; E131-G140 PolarHBondContact O-N 2.9Å; E131-K317 HydrophobicContact CB-CD 4.3Å; E131-K317 HydrophobicContact CB-CG 3.66Å; E131-K317 WeakPolarHBondContact OE1-CE 3.32Å; E131-K317 IonicContact OE1-NZ 3.46Å; E131-K317 PolarHBondContact OE1-NZ 3.41Å
132F98.1Very high93.9Very high0 Ų055 Ų550%028%0.277CS..G310 helixtrans-83.6-15.8172.8-73.8-74000113.1L128 P129 E130 G141 V291 A294 W315 V316 K317L128-F132 HydrophobicContact CB-CB 4.36Å; L128-F132 HydrophobicContact CD1-CB 4.3Å; L128-F132 HydrophobicContact CD2-CD2 4.34Å; P129-F132 HydrophobicContact CB-CD2 3.99Å; P129-F132 HydrophobicContact CB-CE2 4.39Å; P129-F132 HydrophobicContact CG-CD2 3.97Å; P129-F132 HydrophobicContact CG-CE2 4.03Å; P129-F132 PolarHBondContact O-N 3.49Å; E130-F132 PolarHBondContact O-N 3.17Å; E130-F132 VanDerWaalsContact O-N 3.17Å; F132-G141 CarbonylContact O-C 3.6Å; F132-G141 WeakPolarHBondContact O-CA 3.21Å; F132-G141 PolarHBondContact O-N 2.68Å; F132-V291 HydrophobicContact CE2-CG2 4.39Å; F132-A294 HydrophobicContact CZ-CB 4.12Å; F132-A294 WeakPolarHBondContact CZ-O 3.44Å; F132-W315 HydrophobicContact CB-CB 4.06Å; F132-W315 HydrophobicContact CB-CG 4.41Å; F132-W315 HydrophobicContact CD1-CB 3.65Å; F132-W315 HydrophobicContact CE1-CB 4.5Å; F132-W315 HydrophobicContact CG-CB 4.2Å; F132-V316 VanDerWaalsContact CD1-C 3.48Å; F132-K317 HydrophobicContact CD1-CB 4.3Å; F132-K317 HydrophobicContact CE1-CB 3.9Å; F132-K317 HydrophobicContact CZ-CB 4.15Å
133L97Very high93.9Very high15 Ų1555 Ų558%0.07928%0.278CS..SBendtrans-84.9147.1-177.6-51.3-178.4000110.1K124 E130K124-L133 HydrophobicContact CD-CD1 4.41Å; K124-L133 HydrophobicContact CG-CD1 3.74Å; E130-L133 WeakPolarHBondContact O-CB 3.33Å; E130-L133 PolarHBondContact O-N 3.12Å
134A93.6Very high93.9Very high17 Ų1755 Ų5514%0.1428%0.278CS..  trans-68.5-44.6174.900000110.3T116 D120 G138T116-A134 HydrophobicContact CG2-CB 3.5Å; T116-A134 VanDerWaalsContact CG2-CB 3.5Å; D120-A134 PolarHBondContact OD1-N 3.18Å; A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 3.12Å
135G85.7Confident93.9Very high52 Ų5249.2 Ų49.254%0.53625%0.252SS..THydrogen-bonded Turntrans51.3-155.5177.400000113D120D120-G135 PolarHBondContact OD2-N 3.28Å
136K76.9Confident93.8Very high192 Ų19248.3 Ų48.384%0.83525%0.249SC*.THydrogen-bonded Turntrans-85.6-45.1172.9-171-177.3177.2-171.40111.8
137D78.7Confident93.8Very high140 Ų14049.6 Ų49.675%0.74926%0.258SS*.THydrogen-bonded Turntrans-121.619.2-175.7-55.9-59.5000111.7
138G81.8Confident93.9Very high19 Ų1945.1 Ų45.120%0.19624%0.235CC..  trans-65.9141.1-176.800000112.1A134A134-G138 WeakPolarHBondContact O-CA 3.42Å; A134-G138 PolarHBondContact O-N 3.12Å
139R90.1Very high93.9Very high189 Ų18946.7 Ų46.771%0.71325%0.247SC*.SBendtrans-94-15.2179.1-69.3-175-78.6158.3-3.6112.7K318 R319R139-K318 CarbonylContact O-C 3.19Å; R139-K318 WeakPolarHBondContact O-CA 3.27Å; R139-R319 VanDerWaalsContact O-CG 3.29Å; R139-R319 WeakPolarHBondContact O-CG 3.45Å; R139-R319 PolarHBondContact O-N 2.92Å
140G95.5Very high93.9Very high1 Ų149 Ų491%0.0126%0.256CS..  trans-98.3-151172.900000112.3E131 V316 K317E131-G140 VanDerWaalsContact O-CA 3.26Å; E131-G140 WeakPolarHBondContact O-CA 3.34Å; E131-G140 PolarHBondContact O-N 2.9Å; G140-V316 WeakPolarHBondContact CA-O 3.45Å; G140-K317 WeakPolarHBondContact CA-O 3.4Å; G140-K317 PolarHBondContact N-O 2.59Å
141G96.9Very high94.1Very high1 Ų141.3 Ų41.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans153.9166.2174.700000111.9F132 W315 V316F132-G141 CarbonylContact O-C 3.6Å; F132-G141 WeakPolarHBondContact O-CA 3.21Å; F132-G141 PolarHBondContact O-N 2.68Å; G141-W315 WeakPolarHBondContact O-CA 2.84Å; G141-V316 PolarHBondContact N-O 2.85Å; G141-V316 PolarHBondContact O-N 3.37Å
142G97.9Very high94.2Very high1 Ų137.3 Ų37.31%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-99.7154.5171.800000112.9L119 M314 W315 Y346L119-G142 WeakPolarHBondContact CD1-O 3.12Å; G142-M314 CarbonylContact C-O 3.5Å; G142-M314 VanDerWaalsContact CA-O 3.23Å; G142-M314 WeakPolarHBondContact CA-O 3.47Å; G142-W315 VanDerWaalsContact CA-CD1 3.45Å; G142-Y346 WeakPolarHBondContact O-CE1 3.27Å; G142-Y346 PolarHBondContact O-OH 2.8Å
143V98.3Very high94.2Very high1 Ų138 Ų381%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-138146.4166.159.70000110.7L119 Q145 M314 Y346 W349L119-V143 VanDerWaalsContact CD1-C 3.48Å; L119-V143 VanDerWaalsContact CD1-CA 3.41Å; V143-Q145 VanDerWaalsContact CG1-NE2 3.3Å; V143-M314 HydrophobicContact CG1-CB 4.25Å; V143-M314 PolarHBondContact N-O 3.09Å; V143-M314 PolarHBondContact O-N 3.05Å; V143-Y346 HydrophobicContact CB-CD1 3.8Å; V143-Y346 HydrophobicContact CB-CE1 3.74Å; V143-Y346 HydrophobicContact CG2-CD1 3.51Å; V143-Y346 HydrophobicContact CG2-CE1 3.94Å; V143-Y346 HydrophobicContact CG2-CG 4.2Å; V143-W349 HydrophobicContact CB-CB 4.28Å; V143-W349 HydrophobicContact CB-CE3 4.14Å; V143-W349 HydrophobicContact CG1-CB 4.24Å; V143-W349 HydrophobicContact CG1-CE3 4.12Å; V143-W349 HydrophobicContact CG2-CB 4.15Å
144I98.7Very high94.3Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-91.8112.1172.7-54.5179.1000110.5E115 L119 S312 R358 L362E115-I144 VanDerWaalsContact CD-CG1 3.5Å; E115-I144 HydrophobicContact CG-CD1 4.14Å; E115-I144 HydrophobicContact CG-CG1 3.96Å; E115-I144 PolarHBondContact OE1-N 2.87Å; E115-I144 WeakPolarHBondContact OE2-CD1 3.33Å; E115-I144 WeakPolarHBondContact OE2-CG1 3.41Å; L119-I144 HydrophobicContact CD1-CG1 3.96Å; L119-I144 HydrophobicContact CD2-CG1 3.99Å; L119-I144 HydrophobicContact CG-CG1 4.23Å; I144-S312 CarbonylContact C-O 3.34Å; I144-S312 WeakPolarHBondContact CA-O 3.45Å; I144-R358 HydrophobicContact CB-CB 4.35Å; I144-R358 HydrophobicContact CD1-CB 4.11Å; I144-R358 HydrophobicContact CG2-CB 3.88Å; I144-R358 HydrophobicContact CG2-CG 4.32Å; I144-L362 HydrophobicContact CD1-CD2 4.19Å
145Q98.5Very high94.5Very high3 Ų336.5 Ų36.51%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-87.4168.7170-54.6-63-16.300111.5V143 E150 A151 S312 M314 W349V143-Q145 VanDerWaalsContact CG1-NE2 3.3Å; Q145-E150 HydrophobicContact CB-CB 4.35Å; Q145-A151 HydrophobicContact CG-CB 4.16Å; Q145-S312 PolarHBondContact N-O 3.47Å; Q145-S312 PolarHBondContact O-N 2.88Å; Q145-M314 HydrophobicContact CG-CB 4.16Å; Q145-M314 HydrophobicContact CG-SD 4.35Å; Q145-W349 PolarHBondContact NE2-O 2.84Å
146G98.1Very high95.2Very high4 Ų434 Ų344%0.04117%0.169CC..SBendtrans-70.5-41.9170.500000111.9E150 D310G146-E150 WeakPolarHBondContact CA-OE2 3.42Å; G146-E150 PolarHBondContact N-OE2 3.03Å; G146-D310 WeakPolarHBondContact CA-OD2 3.44Å; G146-D310 WeakPolarHBondContact O-CB 3.4Å
147S98.8Very high96.2Very high26 Ų2625.9 Ų25.918%0.18213%0.134CC..  trans-143.8162-177.768.90000113.8S149 E150 A151 S312S147-S149 PolarHBondContact O-N 3.04Å; S147-S149 PolarHBondContact OG-N 3.02Å; S147-E150 PolarHBondContact N-OE2 3.12Å; S147-E150 PolarHBondContact O-N 2.94Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.83Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; S147-A151 PolarHBondContact O-N 2.9Å; S147-A151 VanDerWaalsContact O-N 3.1Å; S147-S312 PolarHBondContact O-OG 2.99Å
148A98.7Very high97.1Very high7 Ų719.2 Ų19.26%0.05810%0.099CC..Hα-helixtrans-58.5-34.1168.400000111.3E150 A151 T152 A273 N298 N300 S312A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.26Å; A148-A151 WeakPolarHBondContact O-CB 3.42Å; A148-A151 PolarHBondContact O-N 3.4Å; A148-A151 VanDerWaalsContact O-N 3.13Å; A148-T152 PolarHBondContact O-N 3.48Å; A148-T152 PolarHBondContact O-OG1 3.03Å; A148-T152 VanDerWaalsContact O-OG1 3.09Å; A148-A273 HydrophobicContact CB-CB 3.85Å; A148-N298 VanDerWaalsContact CB-ND2 3.32Å; A148-N298 WeakPolarHBondContact CB-ND2 3.19Å; A148-N300 WeakPolarHBondContact CB-OD1 3.39Å; A148-S312 PolarHBondContact N-OG 3Å
149S98.8Very high98Very high46 Ų4618.3 Ų18.332%0.3229%0.089SC..Hα-helixtrans-62.9-40.8177.5-51.30000112.4S147 L153 S194S147-S149 PolarHBondContact O-N 3.04Å; S147-S149 PolarHBondContact OG-N 3.02Å; S149-L153 WeakPolarHBondContact O-CB 3.31Å; S149-L153 PolarHBondContact O-N 2.91Å; S149-S194 WeakPolarHBondContact OG-CB 3.39Å
150E98.5Very high98.4Very high70 Ų7012.2 Ų12.233%0.3277%0.067SC..Hα-helixtrans-65.1-42171.9-71.3168.8-174.200111.2Q145 G146 S147 A148 T152 L153 M154Q145-E150 HydrophobicContact CB-CB 4.35Å; G146-E150 WeakPolarHBondContact CA-OE2 3.42Å; G146-E150 PolarHBondContact N-OE2 3.03Å; S147-E150 PolarHBondContact N-OE2 3.12Å; S147-E150 PolarHBondContact O-N 2.94Å; S147-E150 WeakPolarHBondContact OG-CG 3.48Å; S147-E150 PolarHBondContact OG-N 2.83Å; S147-E150 VanDerWaalsContact OG-N 3.14Å; A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.26Å; E150-T152 PolarHBondContact O-N 2.82Å; E150-L153 PolarHBondContact O-N 2.99Å; E150-M154 WeakPolarHBondContact O-CB 3.03Å; E150-M154 VanDerWaalsContact O-CG 3.24Å; E150-M154 WeakPolarHBondContact O-CG 3.35Å; E150-M154 PolarHBondContact O-N 2.71Å
151A98.7Very high98.5Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-61.9-43.217800000113Q145 S147 A148 M154 S155 N298 M314Q145-A151 HydrophobicContact CG-CB 4.16Å; S147-A151 PolarHBondContact O-N 2.9Å; S147-A151 VanDerWaalsContact O-N 3.1Å; A148-A151 WeakPolarHBondContact O-CB 3.42Å; A148-A151 PolarHBondContact O-N 3.4Å; A148-A151 VanDerWaalsContact O-N 3.13Å; A151-M154 PolarHBondContact O-N 3.17Å; A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 2.85Å; A151-S155 PolarHBondContact O-OG 3.46Å; A151-N298 HydrophobicContact CB-CB 3.83Å; A151-M314 VanDerWaalsContact CA-SD 3.59Å; A151-M314 HydrophobicContact CB-CB 3.89Å; A151-M314 HydrophobicContact CB-CG 4.02Å; A151-M314 HydrophobicContact CB-SD 3.69Å
152T98.9Very high98.5Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-63.3-45.3174-57.30000111.2A148 E150 M154 S155 L156 V195 A198 H269A148-T152 PolarHBondContact O-N 3.48Å; A148-T152 PolarHBondContact O-OG1 3.03Å; A148-T152 VanDerWaalsContact O-OG1 3.09Å; E150-T152 PolarHBondContact O-N 2.82Å; T152-M154 PolarHBondContact O-N 3.04Å; T152-S155 PolarHBondContact O-N 3.07Å; T152-L156 WeakPolarHBondContact O-CB 3.43Å; T152-L156 PolarHBondContact O-N 3.26Å; T152-V195 HydrophobicContact CG2-CB 4.45Å; T152-V195 HydrophobicContact CG2-CG1 4.36Å; T152-V195 HydrophobicContact CG2-CG2 4.12Å; T152-A198 HydrophobicContact CG2-CB 4.06Å; T152-H269 WeakPolarHBondContact CA-NE2 3.41Å; T152-H269 PolarHBondContact OG1-NE2 3.26Å; T152-H269 VanDerWaalsContact OG1-NE2 3.15Å
153L98.8Very high98.5Very high14 Ų1417.3 Ų17.37%0.0739%0.091CC..Hα-helixtrans-61.1-45.7176.8175.558.6000111.7S149 E150 S155 L156 L157 A198 I201 I351S149-L153 WeakPolarHBondContact O-CB 3.31Å; S149-L153 PolarHBondContact O-N 2.91Å; E150-L153 PolarHBondContact O-N 2.99Å; L153-S155 VanDerWaalsContact C-N 3.31Å; L153-S155 PolarHBondContact O-N 3.34Å; L153-L156 PolarHBondContact O-N 2.92Å; L153-L157 HydrophobicContact CD1-CD1 3.78Å; L153-L157 HydrophobicContact CD1-CD2 4.38Å; L153-L157 HydrophobicContact CD1-CG 3.81Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.33Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.28Å; L153-L157 PolarHBondContact O-N 3.44Å; L153-A198 HydrophobicContact CB-CB 4.07Å; L153-A198 HydrophobicContact CD1-CB 4.23Å; L153-I201 HydrophobicContact CD1-CB 4.1Å; L153-I201 HydrophobicContact CD1-CG2 3.94Å; L153-I201 HydrophobicContact CD2-CB 4.36Å; L153-I201 HydrophobicContact CD2-CD1 4.13Å; L153-I201 HydrophobicContact CD2-CG2 3.84Å; L153-I351 HydrophobicContact CD2-CD1 3.53Å; L153-I351 HydrophobicContact CG-CD1 4.17Å
154M98.4Very high98.5Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-59.1-42.9176.3-74.8-59.1-62.600111.9E150 A151 T152 A158 M314 L322 F326 W349 I351E150-M154 WeakPolarHBondContact O-CB 3.03Å; E150-M154 VanDerWaalsContact O-CG 3.24Å; E150-M154 WeakPolarHBondContact O-CG 3.35Å; E150-M154 PolarHBondContact O-N 2.71Å; A151-M154 PolarHBondContact O-N 3.17Å; T152-M154 PolarHBondContact O-N 3.04Å; M154-A158 WeakPolarHBondContact O-CB 3.3Å; M154-A158 PolarHBondContact O-N 3.42Å; M154-M314 HydrophobicContact CB-CE 4.18Å; M154-M314 HydrophobicContact CB-SD 4.15Å; M154-L322 HydrophobicContact CE-CD2 4.44Å; M154-F326 HydrophobicContact CE-CD1 4.33Å; M154-F326 HydrophobicContact CE-CD2 3.38Å; M154-F326 HydrophobicContact CE-CE1 4.08Å; M154-F326 HydrophobicContact CE-CE2 3.11Å; M154-F326 HydrophobicContact CE-CG 4Å; M154-F326 HydrophobicContact CE-CZ 3.46Å; M154-F326 VanDerWaalsContact CE-CZ 3.46Å; M154-F326 HydrophobicContact SD-CE1 4.12Å; M154-F326 HydrophobicContact SD-CE2 4.02Å; M154-F326 HydrophobicContact SD-CZ 3.71Å; M154-W349 VanDerWaalsContact CE-C 3.46Å; M154-W349 WeakPolarHBondContact CE-O 3.33Å; M154-I351 HydrophobicContact CG-CG1 4.21Å; M154-I351 HydrophobicContact SD-CB 4.48Å; M154-I351 HydrophobicContact SD-CD1 4.33Å; M154-I351 HydrophobicContact SD-CG1 3.4Å; M154-I351 WeakPolarHBondContact SD-CG1 3.43Å
155S98.7Very high98.5Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-63.1-46.8175.9-60.10000111.9A151 T152 L153 L157 A158 A159 H269 S296 M314A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 2.85Å; A151-S155 PolarHBondContact O-OG 3.46Å; T152-S155 PolarHBondContact O-N 3.07Å; L153-S155 VanDerWaalsContact C-N 3.31Å; L153-S155 PolarHBondContact O-N 3.34Å; S155-L157 PolarHBondContact O-N 3.05Å; S155-A158 PolarHBondContact O-N 2.99Å; S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.47Å; S155-H269 PolarHBondContact OG-ND1 3.32Å; S155-S296 WeakPolarHBondContact CB-OG 3.5Å; S155-S296 PolarHBondContact OG-OG 2.77Å; S155-M314 WeakPolarHBondContact OG-CE 3.4Å
156L98.9Very high98.4Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-62.5-44.8-180-179150.6000111.6T152 L153 A159 R160 A185 A198 A199 V204 F237 F238T152-L156 WeakPolarHBondContact O-CB 3.43Å; T152-L156 PolarHBondContact O-N 3.26Å; L153-L156 PolarHBondContact O-N 2.92Å; L156-A159 PolarHBondContact O-N 3.39Å; L156-R160 VanDerWaalsContact O-CB 3.27Å; L156-R160 WeakPolarHBondContact O-CB 3.33Å; L156-R160 PolarHBondContact O-N 2.95Å; L156-A185 HydrophobicContact CD1-CB 4.49Å; L156-A198 HydrophobicContact CD1-CB 4.17Å; L156-A199 HydrophobicContact CD1-CB 4.27Å; L156-V204 HydrophobicContact CD1-CG2 4.14Å; L156-V204 HydrophobicContact CD2-CG2 3.96Å; L156-V204 HydrophobicContact CG-CG2 4.47Å; L156-F237 HydrophobicContact CG-CE2 4.43Å; L156-F237 HydrophobicContact CG-CZ 4.28Å; L156-F238 HydrophobicContact CB-CD2 4.39Å; L156-F238 HydrophobicContact CB-CE1 4.38Å; L156-F238 HydrophobicContact CB-CE2 4.13Å; L156-F238 HydrophobicContact CB-CZ 4.12Å; L156-F238 HydrophobicContact CD1-CD1 4.31Å; L156-F238 HydrophobicContact CD1-CE1 4.33Å
157L98.7Very high98.4Very high21 Ų2127.4 Ų27.411%0.1113%0.128CC..Hα-helixtrans-65.7-39.1178.7-72.1176.5000111.9L153 S155 R160 T161 F326L153-L157 HydrophobicContact CD1-CD1 3.78Å; L153-L157 HydrophobicContact CD1-CD2 4.38Å; L153-L157 HydrophobicContact CD1-CG 3.81Å; L153-L157 HydrophobicContact CG-CD1 3.91Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.33Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.28Å; L153-L157 PolarHBondContact O-N 3.44Å; S155-L157 PolarHBondContact O-N 3.05Å; L157-R160 VanDerWaalsContact CD2-CZ 3.45Å; L157-R160 WeakPolarHBondContact O-CB 3.42Å; L157-R160 PolarHBondContact O-N 3.22Å; L157-T161 PolarHBondContact O-N 3.21Å; L157-T161 PolarHBondContact O-OG1 3.17Å; L157-F326 HydrophobicContact CB-CE1 4.08Å; L157-F326 HydrophobicContact CB-CZ 3.53Å; L157-F326 HydrophobicContact CD1-CE1 3.95Å; L157-F326 HydrophobicContact CD1-CZ 4.02Å; L157-F326 HydrophobicContact CG-CZ 4.45Å
158A98.6Very high98.4Very high0 Ų029 Ų290%013%0.133CC..Hα-helixtrans-64.8-46.1174.100000112M154 S155 R160 T161 K162 W267 L322 A325 F326M154-A158 WeakPolarHBondContact O-CB 3.3Å; M154-A158 PolarHBondContact O-N 3.42Å; S155-A158 PolarHBondContact O-N 2.99Å; A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 3.18Å; A158-T161 PolarHBondContact O-N 3.41Å; A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.47Å; A158-K162 PolarHBondContact O-N 2.87Å; A158-W267 HydrophobicContact CB-CH2 4.22Å; A158-W267 HydrophobicContact CB-CZ3 4.5Å; A158-L322 HydrophobicContact CB-CD2 3.8Å; A158-A325 HydrophobicContact CB-CB 4.45Å; A158-F326 HydrophobicContact CB-CE2 4.43Å
159A98.8Very high98.3Very high0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-58.6-43.117500000112.1S155 L156 K162 T163 F237 F238 W267S155-A159 WeakPolarHBondContact O-CB 3.48Å; S155-A159 PolarHBondContact O-N 3.47Å; L156-A159 PolarHBondContact O-N 3.39Å; A159-K162 PolarHBondContact O-N 3.01Å; A159-T163 VanDerWaalsContact O-CB 3.3Å; A159-T163 WeakPolarHBondContact O-CB 3.39Å; A159-T163 PolarHBondContact O-N 2.87Å; A159-T163 PolarHBondContact O-OG1 3.26Å; A159-F237 HydrophobicContact CB-CD2 3.92Å; A159-F237 HydrophobicContact CB-CE2 4.08Å; A159-F238 HydrophobicContact CB-CB 4.42Å; A159-F238 HydrophobicContact CB-CD2 3.75Å; A159-W267 HydrophobicContact CB-CB 3.45Å; A159-W267 VanDerWaalsContact CB-CB 3.45Å; A159-W267 HydrophobicContact CB-CD2 3.69Å; A159-W267 HydrophobicContact CB-CE3 3.85Å; A159-W267 HydrophobicContact CB-CG 3.54Å
160R98.4Very high98.2Very high62 Ų6236.3 Ų36.323%0.23417%0.171CC..Hα-helixtrans-58.2-55176.3-175.3-170.871.6173.74110.8L156 L157 A158 K162 T163 I164 L180 L183 G202 V204 F237L156-R160 VanDerWaalsContact O-CB 3.27Å; L156-R160 WeakPolarHBondContact O-CB 3.33Å; L156-R160 PolarHBondContact O-N 2.95Å; L157-R160 VanDerWaalsContact CD2-CZ 3.45Å; L157-R160 WeakPolarHBondContact O-CB 3.42Å; L157-R160 PolarHBondContact O-N 3.22Å; A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 3.18Å; R160-K162 PolarHBondContact O-N 3.05Å; R160-T163 PolarHBondContact O-N 3.16Å; R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.36Å; R160-I164 PolarHBondContact O-N 2.8Å; R160-L180 HydrophobicContact CG-CD1 4.13Å; R160-L183 HydrophobicContact CB-CD1 4.43Å; R160-L183 HydrophobicContact CG-CD1 3.64Å; R160-G202 PolarHBondContact NH1-O 2.98Å; R160-V204 HydrophobicContact CG-CG1 4.25Å; R160-F237 HydrophobicContact CB-CD2 4.44Å; R160-F237 HydrophobicContact CB-CE2 3.85Å; R160-F237 HydrophobicContact CB-CZ 4.47Å
161T98Very high98.1Very high26 Ų2637.8 Ų37.816%0.1618%0.176CC..Hα-helixtrans-63-42.1-179.7-62.50000112.2L157 A158 T163 I164 R165 A325L157-T161 PolarHBondContact O-N 3.21Å; L157-T161 PolarHBondContact O-OG1 3.17Å; A158-T161 PolarHBondContact O-N 3.41Å; T161-T163 VanDerWaalsContact C-N 3.31Å; T161-T163 PolarHBondContact O-N 3.26Å; T161-I164 PolarHBondContact O-N 3.4Å; T161-R165 WeakPolarHBondContact O-CG 3.49Å; T161-R165 PolarHBondContact O-N 2.91Å; T161-R165 VanDerWaalsContact O-N 3.13Å; T161-A325 HydrophobicContact CG2-CB 4.17Å
162K97.8Very high97.9Very high79 Ų7943 Ų4334%0.34321%0.21SC..Hα-helixtrans-58.5-44175.5179.2177.7176.5176.60111.4A158 A159 R160 R166 W267 D295 D321A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.47Å; A158-K162 PolarHBondContact O-N 2.87Å; A159-K162 PolarHBondContact O-N 3.01Å; R160-K162 PolarHBondContact O-N 3.05Å; K162-R166 WeakPolarHBondContact O-CB 3.01Å; K162-R166 PolarHBondContact O-N 3.35Å; K162-R166 VanDerWaalsContact O-N 3.09Å; K162-W267 HydrophobicContact CD-CE3 3.97Å; K162-W267 HydrophobicContact CD-CZ3 3.88Å; K162-D295 IonicContact NZ-OD1 3.47Å; K162-D295 PolarHBondContact NZ-OD1 2.94Å; K162-D321 WeakPolarHBondContact CE-OD2 3.46Å; K162-D321 IonicContact NZ-OD2 3.97Å; K162-D321 PolarHBondContact NZ-OD2 3.48Å
163T98.5Very high97.8Very high5 Ų549.5 Ų49.53%0.03124%0.24CC..Hα-helixtrans-72.2-42-178-58.60000112.1A159 R160 T161 R165 R166 V167 L183 I235 F237A159-T163 VanDerWaalsContact O-CB 3.3Å; A159-T163 WeakPolarHBondContact O-CB 3.39Å; A159-T163 PolarHBondContact O-N 2.87Å; A159-T163 PolarHBondContact O-OG1 3.26Å; R160-T163 PolarHBondContact O-N 3.16Å; T161-T163 VanDerWaalsContact C-N 3.31Å; T161-T163 PolarHBondContact O-N 3.26Å; T163-R165 VanDerWaalsContact C-N 3.34Å; T163-R165 PolarHBondContact O-N 3.1Å; T163-R166 PolarHBondContact O-N 3.16Å; T163-V167 HydrophobicContact CG2-CG2 4.18Å; T163-V167 WeakPolarHBondContact O-CG2 3.32Å; T163-V167 PolarHBondContact O-N 3.32Å; T163-L183 HydrophobicContact CG2-CD2 3.85Å; T163-I235 HydrophobicContact CG2-CG2 4.03Å; T163-F237 HydrophobicContact CG2-CB 3.77Å
164I98.3Very high97.7Very high6 Ų649.7 Ų49.73%0.03124%0.241CC..Hα-helixtrans-55.1-51.5174.6-73.5168.9000110.4R160 T161 R166 V167 Q168 E176 V179 L180 L183R160-I164 HydrophobicContact CG-CD1 3.97Å; R160-I164 WeakPolarHBondContact O-CG1 3.36Å; R160-I164 PolarHBondContact O-N 2.8Å; T161-I164 PolarHBondContact O-N 3.4Å; I164-R166 VanDerWaalsContact C-N 3.35Å; I164-R166 PolarHBondContact O-N 3.26Å; I164-V167 PolarHBondContact O-N 3.17Å; I164-Q168 HydrophobicContact CG2-CG 4.45Å; I164-Q168 WeakPolarHBondContact O-CB 3.17Å; I164-Q168 WeakPolarHBondContact O-CG 3.39Å; I164-Q168 PolarHBondContact O-N 3.3Å; I164-E176 HydrophobicContact CD1-CG 4.26Å; I164-E176 HydrophobicContact CG2-CB 4.38Å; I164-E176 HydrophobicContact CG2-CG 3.84Å; I164-V179 HydrophobicContact CG1-CG1 4.04Å; I164-L180 HydrophobicContact CD1-CB 4.41Å; I164-L180 HydrophobicContact CD1-CD1 4.42Å; I164-L183 HydrophobicContact CD1-CD1 4.37Å; I164-L183 HydrophobicContact CG1-CD1 4.12Å
165R97.1Very high97.7Very high139 Ų13953.3 Ų53.353%0.52526%0.263SS..Hα-helixtrans-60.5-42.9179.3-71.9178.7179.41605.5112.6T161 T163 S169 G324T161-R165 WeakPolarHBondContact O-CG 3.49Å; T161-R165 PolarHBondContact O-N 2.91Å; T161-R165 VanDerWaalsContact O-N 3.13Å; T163-R165 VanDerWaalsContact C-N 3.34Å; T163-R165 PolarHBondContact O-N 3.1Å; R165-S169 WeakPolarHBondContact O-CB 3.38Å; R165-S169 PolarHBondContact O-N 3.07Å; R165-S169 PolarHBondContact O-OG 3.43Å; R165-G324 PolarHBondContact NH1-O 3.16Å; R165-G324 PolarHBondContact NH2-O 3.38Å
166R97.6Very high97.6Very high65 Ų6558.6 Ų58.625%0.24529%0.288CS..Hα-helixtrans-60.6-51.9177-179.8176.560.573.1-4.2110.9K162 T163 I164 Q168 S169 E170K162-R166 WeakPolarHBondContact O-CB 3.01Å; K162-R166 PolarHBondContact O-N 3.35Å; K162-R166 VanDerWaalsContact O-N 3.09Å; T163-R166 PolarHBondContact O-N 3.16Å; I164-R166 VanDerWaalsContact C-N 3.35Å; I164-R166 PolarHBondContact O-N 3.26Å; R166-Q168 PolarHBondContact O-N 2.69Å; R166-S169 PolarHBondContact O-N 3.01Å; R166-S169 VanDerWaalsContact O-N 3.14Å; R166-S169 PolarHBondContact O-OG 3.41Å; R166-E170 WeakPolarHBondContact CG-OE1 3.42Å; R166-E170 IonicContact NH1-OE1 3.82Å; R166-E170 PolarHBondContact NH1-OE1 3.01Å; R166-E170 IonicContact NH1-OE2 3.26Å; R166-E170 WeakPolarHBondContact O-CG 3.48Å; R166-E170 PolarHBondContact O-N 3.39Å
167V98.1Very high97.5Very high9 Ų962 Ų626%0.05532%0.317CS..Hα-helixtrans-62.8-42-179173.90000111.4T163 I164 S169 E170 K171 L174 V179 I235T163-V167 HydrophobicContact CG2-CG2 4.18Å; T163-V167 WeakPolarHBondContact O-CG2 3.32Å; T163-V167 PolarHBondContact O-N 3.32Å; I164-V167 PolarHBondContact O-N 3.17Å; V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 2.86Å; V167-E170 CarbonylContact O-C 3.55Å; V167-E170 PolarHBondContact O-N 3.43Å; V167-K171 WeakPolarHBondContact O-CB 3.35Å; V167-K171 PolarHBondContact O-N 2.94Å; V167-L174 HydrophobicContact CG1-CD1 4.18Å; V167-V179 HydrophobicContact CB-CG1 3.9Å; V167-V179 HydrophobicContact CB-CG2 4.31Å; V167-V179 HydrophobicContact CG1-CB 4.47Å; V167-V179 HydrophobicContact CG1-CG1 3.9Å; V167-V179 HydrophobicContact CG1-CG2 3.68Å; V167-V179 HydrophobicContact CG2-CG1 4.27Å; V167-I235 HydrophobicContact CG1-CD1 4.2Å; V167-I235 HydrophobicContact CG2-CD1 4.23Å; V167-I235 HydrophobicContact CG2-CG2 4.33Å
168Q97.3Very high97.4Very high59 Ų5965.1 Ų65.128%0.27633%0.33SS..Hα-helixtrans-66.2-31.3176.3-71.3-176.1-5700112.8I164 R166 E170 K171 P172 V179I164-Q168 HydrophobicContact CG2-CG 4.45Å; I164-Q168 WeakPolarHBondContact O-CB 3.17Å; I164-Q168 WeakPolarHBondContact O-CG 3.39Å; I164-Q168 PolarHBondContact O-N 3.3Å; R166-Q168 PolarHBondContact O-N 2.69Å; Q168-E170 VanDerWaalsContact C-N 3.35Å; Q168-K171 CarbonylContact O-C 3.47Å; Q168-K171 VanDerWaalsContact O-C 3.31Å; Q168-P172 VanDerWaalsContact O-CA 3.25Å; Q168-P172 WeakPolarHBondContact O-CA 3.33Å; Q168-P172 VanDerWaalsContact O-N 3.16Å; Q168-V179 HydrophobicContact CG-CG2 4.25Å
169S96.9Very high97.4Very high90 Ų9065.1 Ų65.163%0.62933%0.33SS*.Hα-helixtrans-70.3-32.7173.473.70000112.7R165 R166 V167R165-S169 WeakPolarHBondContact O-CB 3.38Å; R165-S169 PolarHBondContact O-N 3.07Å; R165-S169 PolarHBondContact O-OG 3.43Å; R166-S169 PolarHBondContact O-N 3.01Å; R166-S169 VanDerWaalsContact O-N 3.14Å; R166-S169 PolarHBondContact O-OG 3.41Å; V167-S169 VanDerWaalsContact C-N 3.3Å; V167-S169 PolarHBondContact O-N 2.86Å
170E96.9Very high97.4Very high117 Ų11767.6 Ų67.655%0.54734%0.343SS..Hα-helixtrans-80.1-30.7176.3-67.5166.7-166.100112R166 V167 Q168R166-E170 WeakPolarHBondContact CG-OE1 3.42Å; R166-E170 IonicContact NH1-OE1 3.82Å; R166-E170 PolarHBondContact NH1-OE1 3.01Å; R166-E170 IonicContact NH1-OE2 3.26Å; R166-E170 WeakPolarHBondContact O-CG 3.48Å; R166-E170 PolarHBondContact O-N 3.39Å; V167-E170 CarbonylContact O-C 3.55Å; V167-E170 PolarHBondContact O-N 3.43Å; Q168-E170 VanDerWaalsContact C-N 3.35Å
171K96.6Very high97.4Very high102 Ų10266.8 Ų66.844%0.44335%0.354SS..  trans-13976.7-174.4-65.3-175.2-175.9178.70111.1V167 Q168 E173 L174V167-K171 WeakPolarHBondContact O-CB 3.35Å; V167-K171 PolarHBondContact O-N 2.94Å; Q168-K171 CarbonylContact O-C 3.47Å; Q168-K171 VanDerWaalsContact O-C 3.31Å; K171-E173 VanDerWaalsContact CA-OE2 3.27Å; K171-E173 WeakPolarHBondContact CA-OE2 3.46Å; K171-E173 WeakPolarHBondContact CB-OE1 3.45Å; K171-E173 PolarHBondContact O-N 3.24Å; K171-E173 VanDerWaalsContact O-N 3.12Å; K171-L174 HydrophobicContact CB-CD1 3.91Å; K171-L174 HydrophobicContact CB-CG 4.13Å; K171-L174 HydrophobicContact CD-CD1 3.81Å; K171-L174 PolarHBondContact O-N 3.24Å; K171-L174 VanDerWaalsContact O-N 3.12Å
172P95.2Very high97.4Very high108 Ų10870 Ų7070%0.70136%0.363SS*.THydrogen-bonded Turntrans-63-17.4-175-22.634.7000114.6Q168 L174Q168-P172 VanDerWaalsContact O-CA 3.25Å; Q168-P172 WeakPolarHBondContact O-CA 3.33Å; Q168-P172 VanDerWaalsContact O-N 3.16Å; P172-L174 VanDerWaalsContact C-N 3.3Å
173E96.7Very high97.4Very high138 Ų13866.2 Ų66.265%0.64535%0.347SS*.THydrogen-bonded Turntrans-72.4-20.4176.774.5-75.2-179.800113.6K171K171-E173 VanDerWaalsContact CA-OE2 3.27Å; K171-E173 WeakPolarHBondContact CA-OE2 3.46Å; K171-E173 WeakPolarHBondContact CB-OE1 3.45Å; K171-E173 PolarHBondContact O-N 3.24Å; K171-E173 VanDerWaalsContact O-N 3.12Å
174L96.6Very high97.4Very high18 Ų1866 Ų669%0.09435%0.346CS..SBendtrans-84.3125.2179.9-64178.8000111V167 K171 P172 V179V167-L174 HydrophobicContact CG1-CD1 4.18Å; K171-L174 HydrophobicContact CB-CD1 3.91Å; K171-L174 HydrophobicContact CB-CG 4.13Å; K171-L174 HydrophobicContact CD-CD1 3.81Å; K171-L174 PolarHBondContact O-N 3.24Å; K171-L174 VanDerWaalsContact O-N 3.12Å; P172-L174 VanDerWaalsContact C-N 3.3Å; L174-V179 HydrophobicContact CB-CG2 3.86Å; L174-V179 HydrophobicContact CD1-CG2 4.28Å
175T97.2Very high97.5Very high75 Ų7565.7 Ų65.746%0.4634%0.344SS..  trans-67.7156170.565.10000110.9A177 E178 V179T175-A177 PolarHBondContact O-N 3.23Å; T175-E178 WeakPolarHBondContact CB-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.47Å; T175-E178 PolarHBondContact N-OE2 3.29Å; T175-E178 PolarHBondContact O-N 2.86Å; T175-E178 VanDerWaalsContact O-N 3.14Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.27Å; T175-E178 PolarHBondContact OG1-N 2.83Å; T175-E178 PolarHBondContact OG1-OE2 3.06Å; T175-V179 PolarHBondContact O-N 3.43Å; T175-V179 VanDerWaalsContact O-N 3.09Å
176E96.6Very high97.6Very high112 Ų11259.1 Ų59.152%0.52332%0.319SS..Hα-helixtrans-56.5-39.9176174168.6-175.200111.7I164 E178 V179 L180I164-E176 HydrophobicContact CD1-CG 4.26Å; I164-E176 HydrophobicContact CG2-CB 4.38Å; I164-E176 HydrophobicContact CG2-CG 3.84Å; E176-E178 PolarHBondContact O-N 3.29Å; E176-V179 PolarHBondContact O-N 3.08Å; E176-L180 VanDerWaalsContact O-CB 3.29Å; E176-L180 WeakPolarHBondContact O-CB 3.2Å; E176-L180 PolarHBondContact O-N 3.44Å
177A97.1Very high97.6Very high72 Ų7256 Ų5660%0.59531%0.308SS*.Hα-helixtrans-63.4-39.5178.500000112.4T175 G181T175-A177 PolarHBondContact O-N 3.23Å; A177-G181 PolarHBondContact O-N 3.01Å
178E97.8Very high97.5Very high85 Ų8555.7 Ų55.740%0.39731%0.306SS..Hα-helixtrans-67.5-40.5176.1-73.2166.212800112.1T175 E176 G181 R182T175-E178 WeakPolarHBondContact CB-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.47Å; T175-E178 PolarHBondContact N-OE2 3.29Å; T175-E178 PolarHBondContact O-N 2.86Å; T175-E178 VanDerWaalsContact O-N 3.14Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.27Å; T175-E178 PolarHBondContact OG1-N 2.83Å; T175-E178 PolarHBondContact OG1-OE2 3.06Å; E176-E178 PolarHBondContact O-N 3.29Å; E178-G181 PolarHBondContact O-N 2.85Å; E178-R182 WeakPolarHBondContact O-CG 3.49Å; E178-R182 PolarHBondContact O-N 3.17Å
179V98.3Very high97.5Very high0 Ų055.8 Ų55.80%031%0.308CS..Hα-helixtrans-65.4-49.9175.9-179.80000110.2I164 V167 Q168 L174 T175 E176 G181 R182 L183 I235I164-V179 HydrophobicContact CG1-CG1 4.04Å; V167-V179 HydrophobicContact CB-CG1 3.9Å; V167-V179 HydrophobicContact CB-CG2 4.31Å; V167-V179 HydrophobicContact CG1-CB 4.47Å; V167-V179 HydrophobicContact CG1-CG1 3.9Å; V167-V179 HydrophobicContact CG1-CG2 3.68Å; V167-V179 HydrophobicContact CG2-CG1 4.27Å; Q168-V179 HydrophobicContact CG-CG2 4.25Å; L174-V179 HydrophobicContact CB-CG2 3.86Å; L174-V179 HydrophobicContact CD1-CG2 4.28Å; T175-V179 PolarHBondContact O-N 3.43Å; T175-V179 VanDerWaalsContact O-N 3.09Å; E176-V179 PolarHBondContact O-N 3.08Å; V179-G181 VanDerWaalsContact C-N 3.26Å; V179-G181 PolarHBondContact O-N 3.29Å; V179-R182 PolarHBondContact O-N 3.49Å; V179-L183 HydrophobicContact CG1-CD2 4.27Å; V179-L183 WeakPolarHBondContact O-CG 3.26Å; V179-L183 PolarHBondContact O-N 2.94Å; V179-I235 HydrophobicContact CG1-CD1 4.17Å
180L98.1Very high97.5Very high52 Ų5252.3 Ų52.327%0.27228%0.282SS..Hα-helixtrans-55.1-44.3176.9179.661.6000111.2R160 I164 E176 R182 L183 V204R160-L180 HydrophobicContact CG-CD1 4.13Å; I164-L180 HydrophobicContact CD1-CB 4.41Å; I164-L180 HydrophobicContact CD1-CD1 4.42Å; E176-L180 VanDerWaalsContact O-CB 3.29Å; E176-L180 WeakPolarHBondContact O-CB 3.2Å; E176-L180 PolarHBondContact O-N 3.44Å; L180-R182 PolarHBondContact O-N 3.31Å; L180-R182 VanDerWaalsContact O-N 3.08Å; L180-L183 HydrophobicContact CD1-CD1 4.19Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-L183 VanDerWaalsContact O-N 3.13Å; L180-V204 HydrophobicContact CD1-CG1 3.99Å
181G97.9Very high97.5Very high45 Ų4547.8 Ų47.846%0.46427%0.265SS..THydrogen-bonded Turntrans-62.5-11.3176.600000114.7A177 E178 V179 K205A177-G181 PolarHBondContact O-N 3.01Å; E178-G181 PolarHBondContact O-N 2.85Å; V179-G181 VanDerWaalsContact C-N 3.26Å; V179-G181 PolarHBondContact O-N 3.29Å; G181-K205 PolarHBondContact O-NZ 3.15Å
182R98.4Very high97.6Very high94 Ų9445.9 Ų45.936%0.35526%0.257SS..THydrogen-bonded Turntrans-108.6-11.2176-65176.4-162.3-175.16.8113.6E178 V179 L180 L234 I235E178-R182 WeakPolarHBondContact O-CG 3.49Å; E178-R182 PolarHBondContact O-N 3.17Å; V179-R182 PolarHBondContact O-N 3.49Å; L180-R182 PolarHBondContact O-N 3.31Å; L180-R182 VanDerWaalsContact O-N 3.08Å; R182-L234 CarbonylContact O-C 3.5Å; R182-L234 WeakPolarHBondContact O-CA 3.26Å; R182-I235 HydrophobicContact CB-CD1 3.91Å; R182-I235 HydrophobicContact CB-CG1 4Å; R182-I235 PolarHBondContact O-N 3.49Å
183L98.8Very high97.8Very high0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-65.3139.1-179.5-64.8-170.9000112.1R160 T163 I164 V179 L180 V204 I235 F237R160-L183 HydrophobicContact CB-CD1 4.43Å; R160-L183 HydrophobicContact CG-CD1 3.64Å; T163-L183 HydrophobicContact CG2-CD2 3.85Å; I164-L183 HydrophobicContact CD1-CD1 4.37Å; I164-L183 HydrophobicContact CG1-CD1 4.12Å; V179-L183 HydrophobicContact CG1-CD2 4.27Å; V179-L183 WeakPolarHBondContact O-CG 3.26Å; V179-L183 PolarHBondContact O-N 2.94Å; L180-L183 HydrophobicContact CD1-CD1 4.19Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-L183 VanDerWaalsContact O-N 3.13Å; L183-V204 HydrophobicContact CB-CG1 4.4Å; L183-I235 WeakPolarHBondContact CA-O 3.4Å; L183-I235 HydrophobicContact CD2-CB 3.91Å; L183-I235 HydrophobicContact CD2-CG2 3.77Å; L183-F237 HydrophobicContact CB-CD1 3.67Å; L183-F237 HydrophobicContact CB-CE1 3.8Å; L183-F237 HydrophobicContact CB-CG 4.47Å; L183-F237 HydrophobicContact CD1-CD1 4.28Å; L183-F237 HydrophobicContact CD1-CE1 4.43Å; L183-F237 HydrophobicContact CD1-CG 4.37Å; L183-F237 HydrophobicContact CD2-CB 4.21Å; L183-F237 HydrophobicContact CD2-CD1 4.25Å; L183-F237 HydrophobicContact CD2-CG 4.32Å; L183-F237 HydrophobicContact CG-CD1 4.27Å
184V98.9Very high97.9Very high0 Ų037.6 Ų37.60%022%0.217CC..EExtended strand (participates in β ladder)trans-137127.6173.656.30000111Y186 K205 K207 D229 L234 I235 F237V184-Y186 HydrophobicContact CG1-CE2 4.03Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.44Å; V184-Y186 HydrophobicContact CG2-CE1 3.92Å; V184-Y186 HydrophobicContact CG2-CE2 4.35Å; V184-Y186 WeakPolarHBondContact O-CE2 3.44Å; V184-K205 HydrophobicContact CB-CB 4.3Å; V184-K205 HydrophobicContact CG2-CB 4.28Å; V184-K207 HydrophobicContact CG2-CD 4.43Å; V184-K207 HydrophobicContact CG2-CG 4.13Å; V184-D229 HydrophobicContact CG1-CB 4.35Å; V184-L234 HydrophobicContact CB-CD1 4.44Å; V184-L234 HydrophobicContact CG1-CB 3.85Å; V184-L234 HydrophobicContact CG1-CD1 4.33Å; V184-I235 PolarHBondContact N-O 3.35Å; V184-F237 WeakPolarHBondContact O-CD1 3.43Å; V184-F237 PolarHBondContact O-N 3.43Å
185A98.9Very high98Very high0 Ų036.8 Ų36.80%021%0.213CC..EExtended strand (participates in β ladder)trans-98159.917400000110.8L156 K205 I206 K207 F237 F238L156-A185 HydrophobicContact CD1-CB 4.49Å; A185-K205 PolarHBondContact N-O 3.37Å; A185-I206 HydrophobicContact CB-CG1 4.43Å; A185-I206 CarbonylContact O-C 3.6Å; A185-I206 VanDerWaalsContact O-CA 3.28Å; A185-I206 WeakPolarHBondContact O-CA 3.44Å; A185-K207 PolarHBondContact O-N 3.21Å; A185-F237 HydrophobicContact CB-CE1 3.79Å; A185-F237 HydrophobicContact CB-CZ 4.01Å; A185-F238 CarbonylContact C-O 3.51Å; A185-F238 WeakPolarHBondContact CA-O 3.45Å; A185-F238 HydrophobicContact CB-CB 4.07Å; A185-F238 HydrophobicContact CB-CD1 4.09Å
186Y98.9Very high98Very high0 Ų039.5 Ų39.50%022%0.22CC..EExtended strand (participates in β ladder)trans-135.1149.4-177.4-55.6-81.8000111.2V184 K207 V209 V225 L226 D229 P236 F238 F239 C240V184-Y186 HydrophobicContact CG1-CE2 4.03Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.44Å; V184-Y186 HydrophobicContact CG2-CE1 3.92Å; V184-Y186 HydrophobicContact CG2-CE2 4.35Å; V184-Y186 WeakPolarHBondContact O-CE2 3.44Å; Y186-K207 VanDerWaalsContact CA-O 3.31Å; Y186-K207 WeakPolarHBondContact CA-O 3.37Å; Y186-K207 HydrophobicContact CD1-CB 4.05Å; Y186-K207 HydrophobicContact CE1-CB 4.23Å; Y186-V209 HydrophobicContact CD1-CG2 4.37Å; Y186-V225 HydrophobicContact CD1-CG1 3.94Å; Y186-V225 HydrophobicContact CE1-CG1 3.5Å; Y186-L226 HydrophobicContact CD2-CD2 3.84Å; Y186-L226 HydrophobicContact CE1-CD2 4.41Å; Y186-L226 HydrophobicContact CE2-CD2 3.35Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.3Å; Y186-D229 VanDerWaalsContact OH-CB 3.27Å; Y186-D229 WeakPolarHBondContact OH-CB 3.38Å; Y186-D229 PolarHBondContact OH-OD2 3Å; Y186-P236 HydrophobicContact CE2-CB 3.76Å; Y186-P236 HydrophobicContact CE2-CG 4.25Å; Y186-F238 WeakPolarHBondContact CD2-O 3.21Å; Y186-F238 PolarHBondContact N-O 3.44Å; Y186-F239 CarbonylContact O-C 3.52Å; Y186-F239 VanDerWaalsContact O-CA 3.31Å; Y186-F239 WeakPolarHBondContact O-CA 3.23Å; Y186-C240 PolarHBondContact O-N 3.48Å
187A98.5Very high98.1Very high1 Ų141.9 Ų41.91%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-150.7162.9170.400000109.7A191 V195 I206 K207 N208 V209 C240A187-A191 HydrophobicContact CB-CB 3.71Å; A187-V195 HydrophobicContact CB-CB 4.31Å; A187-V195 HydrophobicContact CB-CG1 3.77Å; A187-I206 HydrophobicContact CB-CD1 4.44Å; A187-K207 PolarHBondContact N-O 3.33Å; A187-N208 CarbonylContact O-C 3.51Å; A187-N208 WeakPolarHBondContact O-CA 3.48Å; A187-V209 PolarHBondContact O-N 2.89Å; A187-C240 HydrophobicContact CB-CB 4.15Å
188S96.2Very high98.2Very high1 Ų138.5 Ų38.51%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-55.5146.3166.9177.30000111.4Q190 A191 V217S188-Q190 PolarHBondContact O-N 3Å; S188-Q190 VanDerWaalsContact O-N 3.15Å; S188-Q190 WeakPolarHBondContact OG-CB 3.43Å; S188-Q190 PolarHBondContact OG-N 2.8Å; S188-A191 WeakPolarHBondContact O-CB 3.38Å; S188-A191 PolarHBondContact O-N 3.34Å; S188-V217 VanDerWaalsContact CB-CG2 3.41Å; S188-V217 WeakPolarHBondContact OG-CG2 3.37Å
189D96.3Very high98.2Very high62 Ų6234.5 Ų34.533%0.33218%0.178SC..THydrogen-bonded Turntrans-63.5-10166.765.59.6000113.4N208 V209 S210 S211D189-N208 HydrophobicContact CB-CB 4.03Å; D189-V209 PolarHBondContact N-O 3Å; D189-S210 WeakPolarHBondContact OD2-CA 3.04Å; D189-S211 VanDerWaalsContact OD1-CB 3.26Å; D189-S211 WeakPolarHBondContact OD1-CB 3.4Å; D189-S211 PolarHBondContact OD1-N 3.37Å; D189-S211 PolarHBondContact OD1-OG 3.1Å; D189-S211 PolarHBondContact OD2-N 2.94Å; D189-S211 VanDerWaalsContact OD2-N 3.13Å; D189-S211 PolarHBondContact OD2-OG 3.24Å
190Q97.7Very high98.2Very high16 Ų1641.2 Ų41.28%0.07521%0.214CC..THydrogen-bonded Turntrans-99.80.2171.2-52-52.8-56.300113.7S188 F215 T245S188-Q190 PolarHBondContact O-N 3Å; S188-Q190 VanDerWaalsContact O-N 3.15Å; S188-Q190 WeakPolarHBondContact OG-CB 3.43Å; S188-Q190 PolarHBondContact OG-N 2.8Å; Q190-F215 HydrophobicContact CG-CB 4.02Å; Q190-T245 HydrophobicContact CB-CG2 3.76Å
191A97.8Very high98.3Very high23 Ų2343.9 Ų43.919%0.1923%0.227CC..SBendtrans-60.8152.3-178.700000111.1A187 S188 V195A187-A191 HydrophobicContact CB-CB 3.71Å; S188-A191 WeakPolarHBondContact O-CB 3.38Å; S188-A191 PolarHBondContact O-N 3.34Å; A191-V195 HydrophobicContact CB-CG2 4.17Å
192H98.6Very high98.2Very high62 Ų6241.8 Ų41.829%0.28721%0.205SC..  trans-66144.7176.5-178.3-102.2000110.8S194 V195 T246H192-S194 WeakPolarHBondContact ND1-CB 3.09Å; H192-S194 PolarHBondContact ND1-N 2.96Å; H192-S194 PolarHBondContact ND1-OG 3.15Å; H192-S194 PolarHBondContact O-N 2.6Å; H192-V195 WeakPolarHBondContact O-CG2 3.49Å; H192-V195 PolarHBondContact O-N 3.08Å; H192-T246 PolarHBondContact CD2-OG1 3.25Å
193S98.2Very high98.2Very high68 Ų6839.9 Ų39.948%0.47622%0.215SC..Hα-helixtrans-53.2-17.2178.463.60000115V195 E196 R197S193-V195 PolarHBondContact O-N 3.04Å; S193-E196 PolarHBondContact O-N 3.42Å; S193-R197 WeakPolarHBondContact O-CB 3.11Å; S193-R197 PolarHBondContact O-N 2.94Å
194S98.5Very high98.2Very high3 Ų340.7 Ų40.72%0.02122%0.22CC..Hα-helixtrans-63.4-26.3173.756.70000113.9S149 H192 R197 A198S149-S194 WeakPolarHBondContact OG-CB 3.39Å; H192-S194 WeakPolarHBondContact ND1-CB 3.09Å; H192-S194 PolarHBondContact ND1-N 2.96Å; H192-S194 PolarHBondContact ND1-OG 3.15Å; H192-S194 PolarHBondContact O-N 2.6Å; S194-R197 PolarHBondContact O-N 2.88Å; S194-A198 VanDerWaalsContact O-CB 3.28Å; S194-A198 WeakPolarHBondContact O-CB 3.35Å; S194-A198 PolarHBondContact O-N 3.13Å
195V98.7Very high98.2Very high2 Ų245.1 Ų45.11%0.01224%0.239CC..Hα-helixtrans-72-44.4178.8-168.80000110.4T152 A187 A191 H192 S193 R197 A198 A199 I206 C240T152-V195 HydrophobicContact CG2-CB 4.45Å; T152-V195 HydrophobicContact CG2-CG1 4.36Å; T152-V195 HydrophobicContact CG2-CG2 4.12Å; A187-V195 HydrophobicContact CB-CB 4.31Å; A187-V195 HydrophobicContact CB-CG1 3.77Å; A191-V195 HydrophobicContact CB-CG2 4.17Å; H192-V195 WeakPolarHBondContact O-CG2 3.49Å; H192-V195 PolarHBondContact O-N 3.08Å; S193-V195 PolarHBondContact O-N 3.04Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 2.74Å; V195-A198 WeakPolarHBondContact O-CB 3.4Å; V195-A198 PolarHBondContact O-N 3.4Å; V195-A199 PolarHBondContact O-N 2.99Å; V195-I206 HydrophobicContact CG1-CD1 3.83Å; V195-C240 HydrophobicContact CG1-CB 3.73Å; V195-C240 HydrophobicContact CG2-CB 4.09Å; V195-C240 VanDerWaalsContact CG2-SG 3.59Å
196E98.4Very high98.1Very high131 Ų13147.3 Ų47.361%0.61225%0.25SS*.Hα-helixtrans-61.4-43171.8-173.5179.8-168.400111.1S193 A198 A199 L200 I206S193-E196 PolarHBondContact O-N 3.42Å; E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.48Å; E196-A199 PolarHBondContact O-N 3.23Å; E196-L200 PolarHBondContact O-N 3.34Å; E196-I206 HydrophobicContact CG-CG2 4.48Å
197R98.7Very high98.1Very high162 Ų16251.1 Ų51.161%0.61127%0.267SS*.Hα-helixtrans-61.5-38.5174.5-172.9170.5-65.3-171.5-0.2112.6S193 S194 V195 L200 I201S193-R197 WeakPolarHBondContact O-CB 3.11Å; S193-R197 PolarHBondContact O-N 2.94Å; S194-R197 PolarHBondContact O-N 2.88Å; V195-R197 VanDerWaalsContact C-N 3.33Å; V195-R197 PolarHBondContact O-N 2.74Å; R197-L200 PolarHBondContact O-N 2.92Å; R197-I201 HydrophobicContact CG-CD1 3.95Å; R197-I201 WeakPolarHBondContact O-CG1 3.5Å; R197-I201 PolarHBondContact O-N 3.29Å
198A98.8Very high98.1Very high2 Ų256 Ų562%0.01729%0.293CS..Hα-helixtrans-65.3-40.417600000111.5T152 L153 L156 S194 V195 E196 G202T152-A198 HydrophobicContact CG2-CB 4.06Å; L153-A198 HydrophobicContact CB-CB 4.07Å; L153-A198 HydrophobicContact CD1-CB 4.23Å; L156-A198 HydrophobicContact CD1-CB 4.17Å; S194-A198 VanDerWaalsContact O-CB 3.28Å; S194-A198 WeakPolarHBondContact O-CB 3.35Å; S194-A198 PolarHBondContact O-N 3.13Å; V195-A198 WeakPolarHBondContact O-CB 3.4Å; V195-A198 PolarHBondContact O-N 3.4Å; E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.48Å; A198-G202 WeakPolarHBondContact O-CA 3.31Å; A198-G202 PolarHBondContact O-N 3.43Å
199A98.6Very high98.2Very high1 Ų156 Ų561%0.00829%0.292CS..Hα-helixtrans-64.9-42.1174.300000112.2L156 V195 E196 G202 G203 V204 I206L156-A199 HydrophobicContact CD1-CB 4.27Å; V195-A199 PolarHBondContact O-N 2.99Å; E196-A199 PolarHBondContact O-N 3.23Å; A199-G202 CarbonylContact O-C 3.34Å; A199-G202 PolarHBondContact O-N 2.69Å; A199-G203 PolarHBondContact O-N 3.4Å; A199-V204 HydrophobicContact CB-CG2 3.87Å; A199-V204 PolarHBondContact O-N 2.83Å; A199-V204 VanDerWaalsContact O-N 3.11Å; A199-I206 HydrophobicContact CB-CB 3.66Å; A199-I206 HydrophobicContact CB-CD1 4.04Å; A199-I206 HydrophobicContact CB-CG1 4.41Å; A199-I206 HydrophobicContact CB-CG2 3.77Å
200L98.4Very high98.3Very high141 Ų14157 Ų5774%0.73830%0.304SS*.Hα-helixtrans-58.7-52.1175.8-178.867.8000111.5E196 R197 G202 G203E196-L200 PolarHBondContact O-N 3.34Å; R197-L200 PolarHBondContact O-N 2.92Å; L200-G202 VanDerWaalsContact C-N 3.31Å; L200-G202 PolarHBondContact O-N 3.33Å; L200-G203 PolarHBondContact O-N 3.18Å
201I98.6Very high98.3Very high108 Ų10856.9 Ų56.955%0.55431%0.306SS*.Hα-helixtrans-66-37.5177.6-65.2166.8000110.8L153 R197 G203L153-I201 HydrophobicContact CD1-CB 4.1Å; L153-I201 HydrophobicContact CD1-CG2 3.94Å; L153-I201 HydrophobicContact CD2-CB 4.36Å; L153-I201 HydrophobicContact CD2-CD1 4.13Å; L153-I201 HydrophobicContact CD2-CG2 3.84Å; R197-I201 HydrophobicContact CG-CD1 3.95Å; R197-I201 WeakPolarHBondContact O-CG1 3.5Å; R197-I201 PolarHBondContact O-N 3.29Å; I201-G203 PolarHBondContact O-N 3.5Å
202G97.5Very high98.2Very high1 Ų157.7 Ų57.71%0.0131%0.307CS..Hα-helixtrans-71.4-10.3178.600000114.5R160 A198 A199 L200 V204R160-G202 PolarHBondContact NH1-O 2.98Å; A198-G202 WeakPolarHBondContact O-CA 3.31Å; A198-G202 PolarHBondContact O-N 3.43Å; A199-G202 CarbonylContact O-C 3.34Å; A199-G202 PolarHBondContact O-N 2.69Å; L200-G202 VanDerWaalsContact C-N 3.31Å; L200-G202 PolarHBondContact O-N 3.33Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 2.9Å
203G97.8Very high98Very high54 Ų5462.5 Ų62.556%0.55733%0.329SS*.THydrogen-bonded Turntrans63.536.7-179.300000113.2A199 L200 I201A199-G203 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 3.18Å; I201-G203 PolarHBondContact O-N 3.5Å
204V98.1Very high97.9Very high17 Ų1764.8 Ų64.810%0.10333%0.332CS..  trans-122.4154.9-178-65.10000111.5L156 R160 L180 L183 A199 G202 F237L156-V204 HydrophobicContact CD1-CG2 4.14Å; L156-V204 HydrophobicContact CD2-CG2 3.96Å; L156-V204 HydrophobicContact CG-CG2 4.47Å; R160-V204 HydrophobicContact CG-CG1 4.25Å; L180-V204 HydrophobicContact CD1-CG1 3.99Å; L183-V204 HydrophobicContact CB-CG1 4.4Å; A199-V204 HydrophobicContact CB-CG2 3.87Å; A199-V204 PolarHBondContact O-N 2.83Å; A199-V204 VanDerWaalsContact O-N 3.11Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 2.9Å; V204-F237 HydrophobicContact CB-CE1 4.13Å; V204-F237 HydrophobicContact CB-CZ 4.14Å; V204-F237 HydrophobicContact CG1-CE1 4.14Å; V204-F237 HydrophobicContact CG1-CZ 3.91Å; V204-F237 HydrophobicContact CG2-CE1 4.33Å; V204-F237 HydrophobicContact CG2-CZ 4.02Å
205K98.6Very high97.9Very high92 Ų9265.6 Ų65.640%0.434%0.336SS..EExtended strand (participates in β ladder)trans-68.7146.3169.8-55.9-172.2-171.374.30109.4G181 V184 A185 L234G181-K205 PolarHBondContact O-NZ 3.15Å; V184-K205 HydrophobicContact CB-CB 4.3Å; V184-K205 HydrophobicContact CG2-CB 4.28Å; A185-K205 PolarHBondContact N-O 3.37Å; K205-L234 HydrophobicContact CD-CD2 4.43Å
206I98.6Very high97.8Very high46 Ų4666 Ų6624%0.23634%0.338CS..EExtended strand (participates in β ladder)trans-131.7143.7170.4-173.5167.1000110A185 A187 V195 E196 A199A185-I206 HydrophobicContact CB-CG1 4.43Å; A185-I206 CarbonylContact O-C 3.6Å; A185-I206 VanDerWaalsContact O-CA 3.28Å; A185-I206 WeakPolarHBondContact O-CA 3.44Å; A187-I206 HydrophobicContact CB-CD1 4.44Å; V195-I206 HydrophobicContact CG1-CD1 3.83Å; E196-I206 HydrophobicContact CG-CG2 4.48Å; A199-I206 HydrophobicContact CB-CB 3.66Å; A199-I206 HydrophobicContact CB-CD1 4.04Å; A199-I206 HydrophobicContact CB-CG1 4.41Å; A199-I206 HydrophobicContact CB-CG2 3.77Å
207K98.6Very high97.8Very high80 Ų8059.7 Ų59.735%0.34831%0.309SS..EExtended strand (participates in β ladder)trans-128.4145.6170.6-65.5-168.8-177.4-177.90111.2V184 A185 Y186 A187 V225 D229V184-K207 HydrophobicContact CG2-CD 4.43Å; V184-K207 HydrophobicContact CG2-CG 4.13Å; A185-K207 PolarHBondContact O-N 3.21Å; Y186-K207 VanDerWaalsContact CA-O 3.31Å; Y186-K207 WeakPolarHBondContact CA-O 3.37Å; Y186-K207 HydrophobicContact CD1-CB 4.05Å; Y186-K207 HydrophobicContact CE1-CB 4.23Å; A187-K207 PolarHBondContact N-O 3.33Å; K207-V225 HydrophobicContact CD-CG1 4.41Å; K207-D229 VanDerWaalsContact CD-OD2 3.28Å; K207-D229 WeakPolarHBondContact CD-OD2 3.14Å; K207-D229 VanDerWaalsContact CE-OD2 3.3Å; K207-D229 WeakPolarHBondContact CE-OD2 3.25Å; K207-D229 IonicContact NZ-OD1 3.41Å; K207-D229 PolarHBondContact NZ-OD1 3.1Å; K207-D229 IonicContact NZ-OD2 3.37Å; K207-D229 PolarHBondContact NZ-OD2 3.3Å
208N97.8Very high97.7Very high104 Ų10453 Ų5356%0.55629%0.287SS*.EExtended strand (participates in β ladder)trans-84136.4171.6-65.8-17.6000109.9A187 D189A187-N208 CarbonylContact O-C 3.51Å; A187-N208 WeakPolarHBondContact O-CA 3.48Å; D189-N208 HydrophobicContact CB-CB 4.03Å
209V98.4Very high97.7Very high0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-95.4124.9169.9-173.30000106.9Y186 A187 D189 S211 V217 A221 L222 F239Y186-V209 HydrophobicContact CD1-CG2 4.37Å; A187-V209 PolarHBondContact O-N 2.89Å; D189-V209 PolarHBondContact N-O 3Å; V209-S211 PolarHBondContact O-N 3.34Å; V209-V217 HydrophobicContact CB-CG1 4.12Å; V209-V217 HydrophobicContact CB-CG2 4.46Å; V209-V217 HydrophobicContact CG1-CG1 3.55Å; V209-A221 HydrophobicContact CG1-CB 3.74Å; V209-L222 HydrophobicContact CG1-CB 4.41Å; V209-L222 HydrophobicContact CG2-CD1 4.1Å; V209-F239 HydrophobicContact CG2-CE2 4.18Å
210S97.5Very high97.6Very high83 Ų8357.2 Ų57.258%0.5832%0.317SS*.PPolyproline II helixtrans-61.6135.3-178.5-58.80000111.6D189D189-S210 WeakPolarHBondContact OD2-CA 3.04Å
211S97.5Very high97.6Very high15 Ų1551.6 Ų51.611%0.10529%0.291CS..PPolyproline II helixtrans-85.3160.2170.153.90000112.2D189 V209 F215 T216D189-S211 VanDerWaalsContact OD1-CB 3.26Å; D189-S211 WeakPolarHBondContact OD1-CB 3.4Å; D189-S211 PolarHBondContact OD1-N 3.37Å; D189-S211 PolarHBondContact OD1-OG 3.1Å; D189-S211 PolarHBondContact OD2-N 2.94Å; D189-S211 VanDerWaalsContact OD2-N 3.13Å; D189-S211 PolarHBondContact OD2-OG 3.24Å; V209-S211 PolarHBondContact O-N 3.34Å; S211-F215 VanDerWaalsContact CB-C 3.41Å; S211-T216 WeakPolarHBondContact CA-O 3.23Å
212D96.8Very high97.6Very high39 Ų3946.5 Ų46.521%0.20926%0.264CS..  trans-78.2-166.5173.665.912.6000112.5E214 F215 T216 R253 R441D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CA 3.26Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.3Å; D212-F215 PolarHBondContact O-N 2.93Å; D212-F215 PolarHBondContact OD1-N 3.14Å; D212-T216 PolarHBondContact N-O 3.21Å; D212-T216 WeakPolarHBondContact OD1-CB 3.46Å; D212-T216 PolarHBondContact OD1-N 3.12Å; D212-R253 IonicContact OD2-CZ 3.62Å; D212-R253 IonicContact OD2-NH2 3.25Å; D212-R253 PolarHBondContact OD2-NH2 2.95Å; D212-R253 VanDerWaalsContact OD2-NH2 3.17Å; D212-R441 PolarHBondContact O-NH2 2.91Å
213E95.2Very high97.7Very high163 Ų16351.4 Ų51.476%0.76229%0.285SS*.THydrogen-bonded Turntrans-68.7-19.7178.2-60.9-172.616400113.7F215 R441E213-F215 VanDerWaalsContact C-N 3.26Å; E213-R441 VanDerWaalsContact CA-NH2 3.28Å
214E95.8Very high97.7Very high116 Ų11654.9 Ų54.954%0.54229%0.285SS..THydrogen-bonded Turntrans-92.412174.9-61.2170170.200111.2D212 T216 S250 R253D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CA 3.26Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.3Å; E214-T216 PolarHBondContact O-N 3.21Å; E214-T216 PolarHBondContact O-OG1 3.46Å; E214-S250 WeakPolarHBondContact O-CB 3.45Å; E214-R253 IonicContact OE2-NH2 3.82Å; E214-R253 PolarHBondContact OE2-NH2 2.9Å
215F97.7Very high97.7Very high20 Ų2055.2 Ų55.29%0.08829%0.287CS..SBendtrans58.233.5-179.1-54.3-76.8000112.5Q190 S211 D212 E213 S250 A402 L440 R441Q190-F215 HydrophobicContact CG-CB 4.02Å; S211-F215 VanDerWaalsContact CB-C 3.41Å; D212-F215 PolarHBondContact O-N 2.93Å; D212-F215 PolarHBondContact OD1-N 3.14Å; E213-F215 VanDerWaalsContact C-N 3.26Å; F215-S250 WeakPolarHBondContact O-CB 3.22Å; F215-S250 PolarHBondContact O-OG 2.88Å; F215-A402 HydrophobicContact CD2-CB 4.48Å; F215-A402 HydrophobicContact CE2-CB 4.46Å; F215-L440 HydrophobicContact CD1-CD2 4.35Å; F215-L440 HydrophobicContact CE1-CB 3.77Å; F215-L440 HydrophobicContact CE1-CD2 4.21Å; F215-L440 HydrophobicContact CE1-CG 4.43Å; F215-L440 HydrophobicContact CE2-CB 4.43Å; F215-L440 HydrophobicContact CE2-CD1 4.05Å; F215-L440 HydrophobicContact CZ-CB 3.64Å; F215-L440 HydrophobicContact CZ-CD1 4.08Å; F215-L440 HydrophobicContact CZ-CD2 4.36Å; F215-L440 HydrophobicContact CZ-CG 4.23Å; F215-R441 HydrophobicContact CE1-CG 4.13Å
216T97.6Very high97.7Very high10 Ų1051 Ų516%0.06127%0.269CS..  trans-119.2134.2-173.9-700000110.5S211 D212 E214 F251 R253S211-T216 WeakPolarHBondContact CA-O 3.23Å; D212-T216 PolarHBondContact N-O 3.21Å; D212-T216 WeakPolarHBondContact OD1-CB 3.46Å; D212-T216 PolarHBondContact OD1-N 3.12Å; E214-T216 PolarHBondContact O-N 3.21Å; E214-T216 PolarHBondContact O-OG1 3.46Å; T216-F251 WeakPolarHBondContact CG2-O 3.49Å; T216-F251 PolarHBondContact OG1-O 3.14Å; T216-R253 HydrophobicContact CG2-CG 3.53Å
217V97.8Very high97.7Very high0 Ų053.5 Ų53.50%028%0.28CS..  trans-80.1132.1173.7-179.30000110.3S188 V209 F239 D252 R253 L257S188-V217 VanDerWaalsContact CB-CG2 3.41Å; S188-V217 WeakPolarHBondContact OG-CG2 3.37Å; V209-V217 HydrophobicContact CB-CG1 4.12Å; V209-V217 HydrophobicContact CB-CG2 4.46Å; V209-V217 HydrophobicContact CG1-CG1 3.55Å; V217-F239 HydrophobicContact CG1-CZ 4.21Å; V217-D252 WeakPolarHBondContact CB-OD1 3.27Å; V217-D252 WeakPolarHBondContact CG2-OD1 3.21Å; V217-D252 PolarHBondContact N-OD1 2.96Å; V217-R253 PolarHBondContact O-N 2.84Å; V217-L257 HydrophobicContact CB-CD1 4.47Å; V217-L257 HydrophobicContact CG1-CD1 4.47Å; V217-L257 HydrophobicContact CG1-CD2 3.88Å
218C96.3Very high97.7Very high22 Ų2254.6 Ų54.615%0.14929%0.286CS..  trans-109.5162.6176.466.10000112.1S220 A221 L222 E256C218-S220 VanDerWaalsContact C-N 3.3Å; C218-S220 PolarHBondContact O-N 3.21Å; C218-S220 PolarHBondContact SG-OG 3.3Å; C218-A221 PolarHBondContact O-N 2.79Å; C218-L222 PolarHBondContact O-N 3.13Å; C218-E256 WeakPolarHBondContact CB-OE2 3.49Å
219G97.8Very high97.8Very high6 Ų649.9 Ų49.96%0.06226%0.261CS..Hα-helixtrans-63.6-32.8-174.300000113.8L222 K223 E256 I260G219-L222 PolarHBondContact O-N 3.28Å; G219-K223 VanDerWaalsContact O-CB 3.28Å; G219-K223 WeakPolarHBondContact O-CB 3.4Å; G219-K223 PolarHBondContact O-N 3.27Å; G219-E256 PolarHBondContact N-OE2 3.15Å; G219-I260 WeakPolarHBondContact O-CD1 3.29Å
220S97.9Very high97.8Very high85 Ų8553.2 Ų53.259%0.59428%0.276SS*.Hα-helixtrans-66.1-40.2179.459.50000112.3C218 K224C218-S220 VanDerWaalsContact C-N 3.3Å; C218-S220 PolarHBondContact O-N 3.21Å; C218-S220 PolarHBondContact SG-OG 3.3Å; S220-K224 WeakPolarHBondContact O-CB 3.43Å; S220-K224 PolarHBondContact O-N 3.37Å
221A98.3Very high97.8Very high23 Ų2353.7 Ų53.719%0.1928%0.284CS..Hα-helixtrans-64.2-46.8176.900000111.3V209 C218 K224 V225V209-A221 HydrophobicContact CG1-CB 3.74Å; C218-A221 PolarHBondContact O-N 2.79Å; A221-K224 PolarHBondContact O-N 3.27Å; A221-V225 WeakPolarHBondContact O-CG2 3.34Å; A221-V225 PolarHBondContact O-N 2.64Å
222L98.6Very high97.8Very high0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-61.4-50.7176.3178.461.5000111V209 C218 G219 K224 V225 L226 F239 L257 I260V209-L222 HydrophobicContact CG1-CB 4.41Å; V209-L222 HydrophobicContact CG2-CD1 4.1Å; C218-L222 PolarHBondContact O-N 3.13Å; G219-L222 PolarHBondContact O-N 3.28Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 3.32Å; L222-V225 PolarHBondContact O-N 3.35Å; L222-L226 HydrophobicContact CD1-CD1 4.12Å; L222-L226 HydrophobicContact CD1-CD2 4.22Å; L222-L226 HydrophobicContact CD1-CG 3.94Å; L222-L226 HydrophobicContact CG-CD1 3.94Å; L222-L226 HydrophobicContact CG-CG 4.15Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 3.26Å; L222-F239 HydrophobicContact CD1-CD2 3.93Å; L222-F239 HydrophobicContact CD1-CE2 4.21Å; L222-F239 HydrophobicContact CD1-CG 4.31Å; L222-F239 HydrophobicContact CD2-CD1 4.19Å; L222-F239 HydrophobicContact CD2-CE1 4.31Å; L222-F239 HydrophobicContact CD2-CG 4.31Å; L222-L257 HydrophobicContact CB-CD2 3.85Å; L222-L257 HydrophobicContact CD2-CB 4.46Å; L222-L257 HydrophobicContact CD2-CD2 3.7Å; L222-L257 HydrophobicContact CG-CD2 4.42Å; L222-I260 HydrophobicContact CD2-CB 4.47Å; L222-I260 HydrophobicContact CD2-CG2 4.19Å; L222-I260 HydrophobicContact CG-CG2 4.43Å
223K98.5Very high97.9Very high104 Ų10456.5 Ų56.545%0.45232%0.318SS..Hα-helixtrans-54.7-45.8-178.8-178.6177.7172.6-173.90112G219 L226 E227 I260G219-K223 VanDerWaalsContact O-CB 3.28Å; G219-K223 WeakPolarHBondContact O-CB 3.4Å; G219-K223 PolarHBondContact O-N 3.27Å; K223-L226 PolarHBondContact O-N 2.61Å; K223-E227 WeakPolarHBondContact CE-OE1 3.47Å; K223-E227 HydrophobicContact CG-CG 4.46Å; K223-E227 IonicContact NZ-OE1 2.88Å; K223-E227 WeakPolarHBondContact O-CG 2.92Å; K223-E227 PolarHBondContact O-N 2.78Å; K223-I260 HydrophobicContact CB-CD1 4.35Å
224K98.4Very high98.1Very high127 Ų12750.4 Ų50.455%0.55229%0.291SS*.Hα-helixtrans-57-52.6178.8178.6-178.6172.3-175.30111.6S220 A221 L222 L226 E227 E228S220-K224 WeakPolarHBondContact O-CB 3.43Å; S220-K224 PolarHBondContact O-N 3.37Å; A221-K224 PolarHBondContact O-N 3.27Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 3.32Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-L226 PolarHBondContact O-N 2.81Å; K224-E227 PolarHBondContact O-N 3.19Å; K224-E228 WeakPolarHBondContact CE-OE1 3.26Å; K224-E228 WeakPolarHBondContact CG-OE1 3.49Å; K224-E228 WeakPolarHBondContact O-CG 3.39Å; K224-E228 PolarHBondContact O-N 2.95Å
225V98.4Very high98.2Very high25 Ų2546.3 Ų46.315%0.15227%0.272CS..Hα-helixtrans-65.2-38-177.8-177.90000111Y186 K207 A221 L222 E227 E228 D229Y186-V225 HydrophobicContact CD1-CG1 3.94Å; Y186-V225 HydrophobicContact CE1-CG1 3.5Å; K207-V225 HydrophobicContact CD-CG1 4.41Å; A221-V225 WeakPolarHBondContact O-CG2 3.34Å; A221-V225 PolarHBondContact O-N 2.64Å; L222-V225 PolarHBondContact O-N 3.35Å; V225-E227 PolarHBondContact O-N 3.1Å; V225-E228 PolarHBondContact O-N 3.29Å; V225-D229 WeakPolarHBondContact O-CB 3.11Å; V225-D229 PolarHBondContact O-N 3.32Å
226L98.6Very high98.3Very high2 Ų245.7 Ų45.71%0.0127%0.27CS..Hα-helixtrans-61.9-40.4175.1-67.7-174.2000112.7Y186 L222 K223 K224 K230 P236 I260 E264 V266Y186-L226 HydrophobicContact CD2-CD2 3.84Å; Y186-L226 HydrophobicContact CE1-CD2 4.41Å; Y186-L226 HydrophobicContact CE2-CD2 3.35Å; L222-L226 HydrophobicContact CD1-CD1 4.12Å; L222-L226 HydrophobicContact CD1-CD2 4.22Å; L222-L226 HydrophobicContact CD1-CG 3.94Å; L222-L226 HydrophobicContact CG-CD1 3.94Å; L222-L226 HydrophobicContact CG-CG 4.15Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 3.26Å; K223-L226 PolarHBondContact O-N 2.61Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-L226 PolarHBondContact O-N 2.81Å; L226-K230 WeakPolarHBondContact O-CB 3.17Å; L226-K230 VanDerWaalsContact O-CG 3.24Å; L226-K230 WeakPolarHBondContact O-CG 3.43Å; L226-K230 PolarHBondContact O-N 2.8Å; L226-K230 VanDerWaalsContact O-N 3.11Å; L226-P236 HydrophobicContact CD2-CB 3.62Å; L226-P236 HydrophobicContact CD2-CG 3.84Å; L226-I260 HydrophobicContact CD1-CG2 3.73Å; L226-E264 HydrophobicContact CD1-CB 4.39Å; L226-E264 HydrophobicContact CD1-CG 4.15Å; L226-V266 HydrophobicContact CD2-CG2 4.45Å
227E98.6Very high98.3Very high100 Ų10045.2 Ų45.247%0.46727%0.267SS..Hα-helixtrans-68.9-44.4178.6-74.5173.8171.600111.7K223 K224 V225 D229 K230 A231K223-E227 WeakPolarHBondContact CE-OE1 3.47Å; K223-E227 HydrophobicContact CG-CG 4.46Å; K223-E227 IonicContact NZ-OE1 2.88Å; K223-E227 WeakPolarHBondContact O-CG 2.92Å; K223-E227 PolarHBondContact O-N 2.78Å; K224-E227 PolarHBondContact O-N 3.19Å; V225-E227 PolarHBondContact O-N 3.1Å; E227-D229 VanDerWaalsContact C-N 3.34Å; E227-D229 PolarHBondContact O-N 3.13Å; E227-K230 PolarHBondContact O-N 3.09Å; E227-A231 WeakPolarHBondContact O-CB 3.42Å; E227-A231 PolarHBondContact O-N 3.34Å
228E98.6Very high98.4Very high102 Ų10245.2 Ų45.248%0.47727%0.267SS..Hα-helixtrans-58.6-44.8175.8-72171.9-179.100111.6K224 V225 A231 A232K224-E228 WeakPolarHBondContact CE-OE1 3.26Å; K224-E228 WeakPolarHBondContact CG-OE1 3.49Å; K224-E228 WeakPolarHBondContact O-CG 3.39Å; K224-E228 PolarHBondContact O-N 2.95Å; V225-E228 PolarHBondContact O-N 3.29Å; E228-A231 PolarHBondContact O-N 3.5Å; E228-A232 PolarHBondContact O-N 2.92Å
229D98.7Very high98.5Very high5 Ų544.2 Ų44.23%0.02726%0.26CS..Hα-helixtrans-74-34.8-177.5-83-17.3000113.6V184 Y186 K207 V225 E227 A231 A232 G233 L234V184-D229 HydrophobicContact CG1-CB 4.35Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.3Å; Y186-D229 VanDerWaalsContact OH-CB 3.27Å; Y186-D229 WeakPolarHBondContact OH-CB 3.38Å; Y186-D229 PolarHBondContact OH-OD2 3Å; K207-D229 VanDerWaalsContact CD-OD2 3.28Å; K207-D229 WeakPolarHBondContact CD-OD2 3.14Å; K207-D229 VanDerWaalsContact CE-OD2 3.3Å; K207-D229 WeakPolarHBondContact CE-OD2 3.25Å; K207-D229 IonicContact NZ-OD1 3.41Å; K207-D229 PolarHBondContact NZ-OD1 3.1Å; K207-D229 IonicContact NZ-OD2 3.37Å; K207-D229 PolarHBondContact NZ-OD2 3.3Å; V225-D229 WeakPolarHBondContact O-CB 3.11Å; V225-D229 PolarHBondContact O-N 3.32Å; E227-D229 VanDerWaalsContact C-N 3.34Å; E227-D229 PolarHBondContact O-N 3.13Å; D229-A231 VanDerWaalsContact C-N 3.34Å; D229-A232 CarbonylContact O-C 3.58Å; D229-A232 PolarHBondContact O-N 2.92Å; D229-G233 PolarHBondContact O-N 3.01Å; D229-L234 HydrophobicContact CB-CB 4.15Å; D229-L234 HydrophobicContact CB-CD1 4.19Å; D229-L234 WeakPolarHBondContact O-CA 3.32Å; D229-L234 WeakPolarHBondContact O-CB 3.21Å; D229-L234 PolarHBondContact O-N 2.75Å
230K98.5Very high98.5Very high71 Ų7143.9 Ų43.931%0.30926%0.257SS..Hα-helixtrans-64.2-40.9169.8-72.4173.8-148.6161.60111.5L226 E227 A232 G233 P236 E264L226-K230 WeakPolarHBondContact O-CB 3.17Å; L226-K230 VanDerWaalsContact O-CG 3.24Å; L226-K230 WeakPolarHBondContact O-CG 3.43Å; L226-K230 PolarHBondContact O-N 2.8Å; L226-K230 VanDerWaalsContact O-N 3.11Å; E227-K230 PolarHBondContact O-N 3.09Å; K230-A232 PolarHBondContact O-N 3.43Å; K230-G233 PolarHBondContact O-N 3.42Å; K230-P236 HydrophobicContact CG-CG 3.92Å; K230-E264 IonicContact NZ-OE1 3.93Å; K230-E264 PolarHBondContact NZ-OE1 3.38Å; K230-E264 IonicContact NZ-OE2 3.3Å; K230-E264 PolarHBondContact NZ-OE2 2.86Å
231A98.4Very high98.6Very high92 Ų9239.9 Ų39.976%0.7623%0.229SC*.Hα-helixtrans-63-31.4175.700000112E227 E228 D229 G233E227-A231 WeakPolarHBondContact O-CB 3.42Å; E227-A231 PolarHBondContact O-N 3.34Å; E228-A231 PolarHBondContact O-N 3.5Å; D229-A231 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 3.46Å
232A98.4Very high98.6Very high71 Ų7138.9 Ų38.959%0.58722%0.221SC*.THydrogen-bonded Turntrans-79.53.1172.600000114.3E228 D229 K230 L234E228-A232 PolarHBondContact O-N 2.92Å; D229-A232 CarbonylContact O-C 3.58Å; D229-A232 PolarHBondContact O-N 2.92Å; K230-A232 PolarHBondContact O-N 3.43Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.96Å
233G97.8Very high98.6Very high43 Ų4338.9 Ų38.944%0.44322%0.221SC..THydrogen-bonded Turntrans77.112.1179.800000114.9D229 K230 A231D229-G233 PolarHBondContact O-N 3.01Å; K230-G233 PolarHBondContact O-N 3.42Å; A231-G233 PolarHBondContact O-N 3.46Å
234L98.7Very high98.6Very high35 Ų3534.2 Ų34.218%0.18320%0.202CC..  trans-80.7162171.5-59.5177.8000110.9R182 V184 K205 D229 A232 P236R182-L234 CarbonylContact O-C 3.5Å; R182-L234 WeakPolarHBondContact O-CA 3.26Å; V184-L234 HydrophobicContact CB-CD1 4.44Å; V184-L234 HydrophobicContact CG1-CB 3.85Å; V184-L234 HydrophobicContact CG1-CD1 4.33Å; K205-L234 HydrophobicContact CD-CD2 4.43Å; D229-L234 HydrophobicContact CB-CB 4.15Å; D229-L234 HydrophobicContact CB-CD1 4.19Å; D229-L234 WeakPolarHBondContact O-CA 3.32Å; D229-L234 WeakPolarHBondContact O-CB 3.21Å; D229-L234 PolarHBondContact O-N 2.75Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.96Å; L234-P236 WeakPolarHBondContact O-CD 3.16Å
235I98.8Very high98.6Very high29 Ų2928.2 Ų28.215%0.14918%0.176CC..EExtended strand (participates in β ladder)trans-117.498.3-177.5-58.4171.7000108.1T163 V167 V179 R182 L183 V184 F237T163-I235 HydrophobicContact CG2-CG2 4.03Å; V167-I235 HydrophobicContact CG1-CD1 4.2Å; V167-I235 HydrophobicContact CG2-CD1 4.23Å; V167-I235 HydrophobicContact CG2-CG2 4.33Å; V179-I235 HydrophobicContact CG1-CD1 4.17Å; R182-I235 HydrophobicContact CB-CD1 3.91Å; R182-I235 HydrophobicContact CB-CG1 4Å; R182-I235 PolarHBondContact O-N 3.49Å; L183-I235 WeakPolarHBondContact CA-O 3.4Å; L183-I235 HydrophobicContact CD2-CB 3.91Å; L183-I235 HydrophobicContact CD2-CG2 3.77Å; V184-I235 PolarHBondContact N-O 3.35Å; I235-F237 PolarHBondContact O-N 2.97Å
236P98.8Very high98.6Very high8 Ų829.1 Ų29.15%0.05218%0.182CC..EExtended strand (participates in β ladder)trans-53.9131.5165.9-28.937.6000111.9Y186 L226 K230 L234 V266Y186-P236 HydrophobicContact CE2-CB 3.76Å; Y186-P236 HydrophobicContact CE2-CG 4.25Å; L226-P236 HydrophobicContact CD2-CB 3.62Å; L226-P236 HydrophobicContact CD2-CG 3.84Å; K230-P236 HydrophobicContact CG-CG 3.92Å; L234-P236 WeakPolarHBondContact O-CD 3.16Å; P236-V266 HydrophobicContact CB-CG2 3.69Å
237F98.9Very high98.6Very high0 Ų030.1 Ų30.10%019%0.189CC..EExtended strand (participates in β ladder)trans-142.5-20.5-178.984.7-82.2000115.8L156 A159 R160 T163 L183 V184 A185 V204 I235 W267L156-F237 HydrophobicContact CG-CE2 4.43Å; L156-F237 HydrophobicContact CG-CZ 4.28Å; A159-F237 HydrophobicContact CB-CD2 3.92Å; A159-F237 HydrophobicContact CB-CE2 4.08Å; R160-F237 HydrophobicContact CB-CD2 4.44Å; R160-F237 HydrophobicContact CB-CE2 3.85Å; R160-F237 HydrophobicContact CB-CZ 4.47Å; T163-F237 HydrophobicContact CG2-CB 3.77Å; L183-F237 HydrophobicContact CB-CD1 3.67Å; L183-F237 HydrophobicContact CB-CE1 3.8Å; L183-F237 HydrophobicContact CB-CG 4.47Å; L183-F237 HydrophobicContact CD1-CD1 4.28Å; L183-F237 HydrophobicContact CD1-CE1 4.43Å; L183-F237 HydrophobicContact CD1-CG 4.37Å; L183-F237 HydrophobicContact CD2-CB 4.21Å; L183-F237 HydrophobicContact CD2-CD1 4.25Å; L183-F237 HydrophobicContact CD2-CG 4.32Å; L183-F237 HydrophobicContact CG-CD1 4.27Å; V184-F237 WeakPolarHBondContact O-CD1 3.43Å; V184-F237 PolarHBondContact O-N 3.43Å; A185-F237 HydrophobicContact CB-CE1 3.79Å; A185-F237 HydrophobicContact CB-CZ 4.01Å; V204-F237 HydrophobicContact CB-CE1 4.13Å; V204-F237 HydrophobicContact CB-CZ 4.14Å; V204-F237 HydrophobicContact CG1-CE1 4.14Å; V204-F237 HydrophobicContact CG1-CZ 3.91Å; V204-F237 HydrophobicContact CG2-CE1 4.33Å; V204-F237 HydrophobicContact CG2-CZ 4.02Å; I235-F237 PolarHBondContact O-N 2.97Å; F237-W267 WeakPolarHBondContact O-CB 3.38Å; F237-W267 PolarHBondContact O-N 2.99Å
238F98.9Very high98.5Very high0 Ų025.6 Ų25.60%017%0.168CC..EExtended strand (participates in β ladder)trans-146.3136-176-177.9-93.8000111.3L156 A159 A185 Y186 C240 W267 H269L156-F238 HydrophobicContact CB-CD2 4.39Å; L156-F238 HydrophobicContact CB-CE1 4.38Å; L156-F238 HydrophobicContact CB-CE2 4.13Å; L156-F238 HydrophobicContact CB-CZ 4.12Å; L156-F238 HydrophobicContact CD1-CD1 4.31Å; L156-F238 HydrophobicContact CD1-CE1 4.33Å; A159-F238 HydrophobicContact CB-CB 4.42Å; A159-F238 HydrophobicContact CB-CD2 3.75Å; A185-F238 CarbonylContact C-O 3.51Å; A185-F238 WeakPolarHBondContact CA-O 3.45Å; A185-F238 HydrophobicContact CB-CB 4.07Å; A185-F238 HydrophobicContact CB-CD1 4.09Å; Y186-F238 WeakPolarHBondContact CD2-O 3.21Å; Y186-F238 PolarHBondContact N-O 3.44Å; F238-C240 HydrophobicContact CE1-CB 3.84Å; F238-C240 HydrophobicContact CZ-CB 4.39Å; F238-W267 CarbonylContact C-O 3.57Å; F238-W267 WeakPolarHBondContact CA-O 3.49Å; F238-W267 HydrophobicContact CD2-CB 4.08Å; F238-W267 AromaticContact CD2-CD1 3.65Å; F238-W267 HydrophobicContact CD2-CG 4.02Å; F238-W267 AromaticContact CE2-CD1 3.65Å; F238-W267 HydrophobicContact CE2-CG 4.4Å; F238-H269 HydrophobicContact CE1-CB 4.49Å; F238-H269 HydrophobicContact CE2-CB 3.55Å; F238-H269 HydrophobicContact CZ-CB 3.47Å; F238-H269 VanDerWaalsContact CZ-CB 3.47Å
239F98.9Very high98.5Very high0 Ų020.9 Ų20.90%015%0.146CC..EExtended strand (participates in β ladder)trans-130.3126.1169.8175.8-113.8000109.6Y186 V209 V217 L222 A241 L257 V266 W267 M268 H269Y186-F239 CarbonylContact O-C 3.52Å; Y186-F239 VanDerWaalsContact O-CA 3.31Å; Y186-F239 WeakPolarHBondContact O-CA 3.23Å; V209-F239 HydrophobicContact CG2-CE2 4.18Å; V217-F239 HydrophobicContact CG1-CZ 4.21Å; L222-F239 HydrophobicContact CD1-CD2 3.93Å; L222-F239 HydrophobicContact CD1-CE2 4.21Å; L222-F239 HydrophobicContact CD1-CG 4.31Å; L222-F239 HydrophobicContact CD2-CD1 4.19Å; L222-F239 HydrophobicContact CD2-CE1 4.31Å; L222-F239 HydrophobicContact CD2-CG 4.31Å; F239-A241 HydrophobicContact CD1-CB 4.3Å; F239-A241 HydrophobicContact CE1-CB 3.73Å; F239-A241 HydrophobicContact CZ-CB 4.42Å; F239-L257 HydrophobicContact CE1-CB 4.06Å; F239-L257 HydrophobicContact CE1-CD1 3.8Å; F239-L257 HydrophobicContact CE1-CD2 4.09Å; F239-L257 HydrophobicContact CE1-CG 4.19Å; F239-L257 HydrophobicContact CZ-CD1 4Å; F239-L257 HydrophobicContact CZ-CD2 4.1Å; F239-V266 HydrophobicContact CB-CG1 3.86Å; F239-W267 PolarHBondContact N-O 3.41Å; F239-M268 HydrophobicContact CD1-CG 4.28Å; F239-M268 WeakPolarHBondContact O-CA 3.46Å; F239-H269 PolarHBondContact O-N 3.25Å
240C98.9Very high98.5Very high0 Ų021 Ų210%015%0.147CC..EExtended strand (participates in β ladder)trans-96.7103.1172.1-170.30000109.8Y186 A187 V195 F238 H269Y186-C240 PolarHBondContact O-N 3.48Å; A187-C240 HydrophobicContact CB-CB 4.15Å; V195-C240 HydrophobicContact CG1-CB 3.73Å; V195-C240 HydrophobicContact CG2-CB 4.09Å; V195-C240 VanDerWaalsContact CG2-SG 3.59Å; F238-C240 HydrophobicContact CE1-CB 3.84Å; F238-C240 HydrophobicContact CZ-CB 4.39Å; C240-H269 CarbonylContact C-O 3.53Å; C240-H269 WeakPolarHBondContact CA-O 3.24Å
241A98.8Very high98.5Very high0 Ų018.6 Ų18.60%014%0.137CC..EExtended strand (participates in β ladder)trans-80.9141.6168.100000109.5F239 D252 L254 H269 I270 D271F239-A241 HydrophobicContact CD1-CB 4.3Å; F239-A241 HydrophobicContact CE1-CB 3.73Å; F239-A241 HydrophobicContact CZ-CB 4.42Å; A241-D252 HydrophobicContact CB-CB 4.33Å; A241-L254 HydrophobicContact CB-CD2 3.47Å; A241-L254 VanDerWaalsContact CB-CD2 3.47Å; A241-H269 PolarHBondContact N-O 3.27Å; A241-I270 HydrophobicContact CB-CG1 4.36Å; A241-I270 CarbonylContact O-C 3.55Å; A241-I270 WeakPolarHBondContact O-CA 3.27Å; A241-D271 PolarHBondContact O-N 3.16Å
242T98.8Very high98.5Very high3 Ų314.4 Ų14.42%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-116.2126.9-178.6-48.30000110.9T245 D252 D271T242-T245 HydrophobicContact CG2-CG2 3.75Å; T242-D252 PolarHBondContact N-OD2 3.34Å; T242-D252 PolarHBondContact O-N 3.48Å; T242-D271 WeakPolarHBondContact CA-O 3.43Å
243L98.9Very high98.5Very high0 Ų015.4 Ų15.40%09%0.09CC..BIsolated β-bridgetrans-108106.9169.9-59.3-176.3000108.8F251 L254 I270 D271 A272 A275 F279 L288L243-F251 HydrophobicContact CB-CD1 3.78Å; L243-F251 HydrophobicContact CB-CE1 4.13Å; L243-F251 HydrophobicContact CD2-CB 4.31Å; L243-F251 HydrophobicContact CD2-CD1 4.03Å; L243-F251 HydrophobicContact CG-CD1 4.45Å; L243-L254 HydrophobicContact CD1-CD1 3.96Å; L243-L254 HydrophobicContact CD2-CD1 3.98Å; L243-L254 HydrophobicContact CD2-CD2 4.33Å; L243-L254 HydrophobicContact CD2-CG 4.01Å; L243-L254 HydrophobicContact CG-CD1 4.33Å; L243-I270 HydrophobicContact CD1-CG2 3.77Å; L243-I270 HydrophobicContact CG-CG2 3.79Å; L243-D271 PolarHBondContact N-O 3.02Å; L243-A272 HydrophobicContact CB-CB 4.01Å; L243-A272 WeakPolarHBondContact O-CA 3.49Å; L243-A275 WeakPolarHBondContact O-CB 3.37Å; L243-F279 HydrophobicContact CB-CZ 4.31Å; L243-F279 HydrophobicContact CD1-CE2 3.93Å; L243-F279 HydrophobicContact CD1-CZ 3.89Å; L243-L288 HydrophobicContact CD1-CD1 3.76Å
244G98.5Very high98.6Very high6 Ų613.6 Ų13.66%0.0627%0.07CC..SBendtrans83.367.9-172.400000112S250G244-S250 CarbonylContact C-O 3.54Å; G244-S250 VanDerWaalsContact CA-O 3.23Å; G244-S250 WeakPolarHBondContact CA-O 3.39Å; G244-S250 PolarHBondContact N-O 2.98Å
245T98.7Very high98.6Very high0 Ų016.7 Ų16.70%09%0.087CC..  trans-56.3153.1178.6620000112.7Q190 T242 C249 S250Q190-T245 HydrophobicContact CB-CG2 3.76Å; T242-T245 HydrophobicContact CG2-CG2 3.75Å; T245-C249 WeakPolarHBondContact O-CA 3.43Å; T245-C249 PolarHBondContact O-N 3.04Å; T245-C249 PolarHBondContact OG1-N 3.09Å; T245-S250 WeakPolarHBondContact CG2-OG 3.4Å; T245-S250 PolarHBondContact N-O 3.31Å; T245-S250 PolarHBondContact OG1-N 3.49Å; T245-S250 PolarHBondContact OG1-OG 2.67Å
246T97.9Very high98.6Very high45 Ų4519 Ų1928%0.27610%0.096SC..THydrogen-bonded Turntrans-65.3-45.2-178.7-61.70000113.1H192 R447H192-T246 PolarHBondContact CD2-OG1 3.25Å; T246-R447 VanDerWaalsContact O-CZ 3.25Å; T246-R447 PolarHBondContact O-NE 3.01Å; T246-R447 PolarHBondContact O-NH2 3.45Å
247P97.6Very high98.6Very high23 Ų2318.6 Ų18.615%0.1499%0.094CC..THydrogen-bonded Turntrans-59.8-51.9-177.1-26.637.4000112.9C410 C438 L440 R447P247-C410 PolarHBondContact O-SG 3.12Å; P247-C438 HydrophobicContact CB-CB 4.1Å; P247-C438 PolarHBondContact O-SG 3.37Å; P247-L440 HydrophobicContact CB-CD2 3.6Å; P247-R447 WeakPolarHBondContact O-CD 3.08Å; P247-R447 PolarHBondContact O-NE 3.36Å; P247-R447 VanDerWaalsContact O-NE 3.07Å
248C97.9Very high98.6Very high4 Ų418.6 Ų18.63%0.0279%0.094CC..THydrogen-bonded Turntrans-138.17.3-167.652.20000115.5S250 A402 L440C248-S250 VanDerWaalsContact C-N 3.29Å; C248-S250 PolarHBondContact O-N 3.03Å; C248-A402 HydrophobicContact CB-CB 3.64Å; C248-L440 HydrophobicContact CB-CD1 4Å; C248-L440 HydrophobicContact CB-CD2 3.75Å
249C98.6Very high98.5Very high3 Ų321.3 Ų21.32%0.0211%0.112CC..  trans59.436.2-178.3-163.50000113.5F80 T245 F251 L408F80-C249 HydrophobicContact CZ-CB 4.43Å; T245-C249 WeakPolarHBondContact O-CA 3.43Å; T245-C249 PolarHBondContact O-N 3.04Å; T245-C249 PolarHBondContact OG1-N 3.09Å; C249-F251 WeakPolarHBondContact O-CD2 3.28Å; C249-F251 WeakPolarHBondContact O-CE2 3.42Å; C249-L408 HydrophobicContact CB-CB 4.16Å; C249-L408 HydrophobicContact CB-CD2 3.8Å
250S98.4Very high98.5Very high8 Ų822.7 Ų22.76%0.05612%0.119CC..  trans-74.7167.8169.761.40000112.3E214 F215 G244 T245 C248E214-S250 WeakPolarHBondContact O-CB 3.45Å; F215-S250 WeakPolarHBondContact O-CB 3.22Å; F215-S250 PolarHBondContact O-OG 2.88Å; G244-S250 CarbonylContact C-O 3.54Å; G244-S250 VanDerWaalsContact CA-O 3.23Å; G244-S250 WeakPolarHBondContact CA-O 3.39Å; G244-S250 PolarHBondContact N-O 2.98Å; T245-S250 WeakPolarHBondContact CG2-OG 3.4Å; T245-S250 PolarHBondContact N-O 3.31Å; T245-S250 PolarHBondContact OG1-N 3.49Å; T245-S250 PolarHBondContact OG1-OG 2.67Å; C248-S250 VanDerWaalsContact C-N 3.29Å; C248-S250 PolarHBondContact O-N 3.03Å
251F98.8Very high98.5Very high21 Ų2122.7 Ų22.79%0.09212%0.119CC..BIsolated β-bridgetrans-133.7115.8-172.3-65.9-98.3000111.4T216 L243 C249 A275 F279 L287 I405 L406T216-F251 WeakPolarHBondContact CG2-O 3.49Å; T216-F251 PolarHBondContact OG1-O 3.14Å; L243-F251 HydrophobicContact CB-CD1 3.78Å; L243-F251 HydrophobicContact CB-CE1 4.13Å; L243-F251 HydrophobicContact CD2-CB 4.31Å; L243-F251 HydrophobicContact CD2-CD1 4.03Å; L243-F251 HydrophobicContact CG-CD1 4.45Å; C249-F251 WeakPolarHBondContact O-CD2 3.28Å; C249-F251 WeakPolarHBondContact O-CE2 3.42Å; F251-A275 HydrophobicContact CE1-CB 3.67Å; F251-A275 HydrophobicContact CZ-CB 3.86Å; F251-F279 HydrophobicContact CE1-CZ 4.43Å; F251-L287 HydrophobicContact CD1-CB 3.99Å; F251-L287 HydrophobicContact CD1-CD1 4.4Å; F251-L287 HydrophobicContact CD1-CD2 4.28Å; F251-L287 HydrophobicContact CD1-CG 4.45Å; F251-L287 HydrophobicContact CD2-CD2 4.19Å; F251-L287 HydrophobicContact CE1-CB 4.04Å; F251-L287 HydrophobicContact CE1-CD1 3.85Å; F251-L287 HydrophobicContact CE1-CG 4.35Å; F251-L287 HydrophobicContact CE2-CD1 4.17Å; F251-L287 HydrophobicContact CE2-CD2 4.42Å; F251-L287 HydrophobicContact CG-CD2 4.14Å; F251-L287 HydrophobicContact CZ-CD1 3.73Å; F251-I405 HydrophobicContact CD2-CD1 3.59Å; F251-I405 HydrophobicContact CE2-CB 4.04Å; F251-I405 HydrophobicContact CE2-CD1 3.63Å; F251-I405 HydrophobicContact CE2-CG1 4.43Å; F251-I405 HydrophobicContact CE2-CG2 3.77Å; F251-I405 HydrophobicContact CZ-CG2 4.32Å; F251-L406 HydrophobicContact CZ-CD1 3.72Å; F251-L406 HydrophobicContact CZ-CG 4.25Å
252D98.7Very high98.5Very high4 Ų426.5 Ų26.52%0.02114%0.139CC..  trans-62.5142.7176.6-70.8-28.5000112.4V217 A241 T242 L254 L257V217-D252 WeakPolarHBondContact CB-OD1 3.27Å; V217-D252 WeakPolarHBondContact CG2-OD1 3.21Å; V217-D252 PolarHBondContact N-OD1 2.96Å; A241-D252 HydrophobicContact CB-CB 4.33Å; T242-D252 PolarHBondContact N-OD2 3.34Å; T242-D252 PolarHBondContact O-N 3.48Å; D252-L254 PolarHBondContact O-N 3.4Å; D252-L257 HydrophobicContact CB-CD1 3.79Å
253R98.4Very high98.5Very high92 Ų9233.9 Ų33.935%0.34717%0.171SC..  trans-79.180.2-172.9-63-178.7-172.6179.81.1112.7D212 E214 T216 V217 L255 E256 L257D212-R253 IonicContact OD2-CZ 3.62Å; D212-R253 IonicContact OD2-NH2 3.25Å; D212-R253 PolarHBondContact OD2-NH2 2.95Å; D212-R253 VanDerWaalsContact OD2-NH2 3.17Å; E214-R253 IonicContact OE2-NH2 3.82Å; E214-R253 PolarHBondContact OE2-NH2 2.9Å; T216-R253 HydrophobicContact CG2-CG 3.53Å; V217-R253 PolarHBondContact O-N 2.84Å; R253-L255 VanDerWaalsContact C-N 3.26Å; R253-L255 PolarHBondContact O-N 2.9Å; R253-L255 VanDerWaalsContact O-N 3.16Å; R253-E256 HydrophobicContact CB-CB 4.23Å; R253-E256 HydrophobicContact CB-CG 4.12Å; R253-E256 WeakPolarHBondContact CD-OE1 3.34Å; R253-E256 IonicContact NH1-OE1 3.9Å; R253-E256 PolarHBondContact NH1-OE1 2.78Å; R253-E256 PolarHBondContact O-N 2.91Å; R253-L257 WeakPolarHBondContact O-CD1 3.33Å; R253-L257 VanDerWaalsContact O-CG 3.27Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.48Å
254L98.7Very high98.5Very high4 Ų436.5 Ų36.52%0.02118%0.183CC..Hα-helixtrans-56.4-35.1-175.1-57.1-175.6000114.4A241 L243 D252 E256 L257 G258 M268 I270 N289A241-L254 HydrophobicContact CB-CD2 3.47Å; A241-L254 VanDerWaalsContact CB-CD2 3.47Å; L243-L254 HydrophobicContact CD1-CD1 3.96Å; L243-L254 HydrophobicContact CD2-CD1 3.98Å; L243-L254 HydrophobicContact CD2-CD2 4.33Å; L243-L254 HydrophobicContact CD2-CG 4.01Å; L243-L254 HydrophobicContact CG-CD1 4.33Å; D252-L254 PolarHBondContact O-N 3.4Å; L254-E256 PolarHBondContact O-N 2.96Å; L254-L257 PolarHBondContact O-N 3.36Å; L254-G258 WeakPolarHBondContact O-CA 3.28Å; L254-G258 PolarHBondContact O-N 2.82Å; L254-M268 HydrophobicContact CD2-SD 4.47Å; L254-I270 HydrophobicContact CD1-CD1 3.49Å; L254-I270 VanDerWaalsContact CD1-CD1 3.49Å; L254-I270 HydrophobicContact CD1-CG1 4.24Å; L254-I270 HydrophobicContact CD2-CD1 4.16Å; L254-I270 HydrophobicContact CD2-CG1 4.08Å; L254-I270 HydrophobicContact CG-CD1 4.47Å; L254-N289 WeakPolarHBondContact CB-O 3.43Å
255L98.6Very high98.4Very high101 Ų10141 Ų4153%0.52921%0.206SC..Hα-helixtrans-64.4-25.8176.9-68.9177000113.2R253 P259 N289 F293R253-L255 VanDerWaalsContact C-N 3.26Å; R253-L255 PolarHBondContact O-N 2.9Å; R253-L255 VanDerWaalsContact O-N 3.16Å; L255-P259 VanDerWaalsContact O-CD 3.3Å; L255-P259 WeakPolarHBondContact O-CD 3.43Å; L255-P259 WeakPolarHBondContact O-CG 3.25Å; L255-N289 HydrophobicContact CD1-CB 4.13Å; L255-N289 HydrophobicContact CD2-CB 4.44Å; L255-N289 HydrophobicContact CG-CB 4.28Å; L255-F293 HydrophobicContact CD2-CE2 4.32Å
256E98.5Very high98.4Very high76 Ų7641.1 Ų41.136%0.35521%0.207SC..Hα-helixtrans-87.3-39.3173.1-61.1-178.1-159.100111.5C218 G219 R253 L254 I260C218-E256 WeakPolarHBondContact CB-OE2 3.49Å; G219-E256 PolarHBondContact N-OE2 3.15Å; R253-E256 HydrophobicContact CB-CB 4.23Å; R253-E256 HydrophobicContact CB-CG 4.12Å; R253-E256 WeakPolarHBondContact CD-OE1 3.34Å; R253-E256 IonicContact NH1-OE1 3.9Å; R253-E256 PolarHBondContact NH1-OE1 2.78Å; R253-E256 PolarHBondContact O-N 2.91Å; L254-E256 PolarHBondContact O-N 2.96Å; E256-I260 WeakPolarHBondContact O-CD1 3.32Å; E256-I260 WeakPolarHBondContact O-CG1 3.42Å
257L98.8Very high98.5Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-80.7-40.4-171.1-61.5163.6000112.9V217 L222 F239 D252 R253 L254 I260 C261 M268V217-L257 HydrophobicContact CB-CD1 4.47Å; V217-L257 HydrophobicContact CG1-CD1 4.47Å; V217-L257 HydrophobicContact CG1-CD2 3.88Å; L222-L257 HydrophobicContact CB-CD2 3.85Å; L222-L257 HydrophobicContact CD2-CB 4.46Å; L222-L257 HydrophobicContact CD2-CD2 3.7Å; L222-L257 HydrophobicContact CG-CD2 4.42Å; F239-L257 HydrophobicContact CE1-CB 4.06Å; F239-L257 HydrophobicContact CE1-CD1 3.8Å; F239-L257 HydrophobicContact CE1-CD2 4.09Å; F239-L257 HydrophobicContact CE1-CG 4.19Å; F239-L257 HydrophobicContact CZ-CD1 4Å; F239-L257 HydrophobicContact CZ-CD2 4.1Å; D252-L257 HydrophobicContact CB-CD1 3.79Å; R253-L257 WeakPolarHBondContact O-CD1 3.33Å; R253-L257 VanDerWaalsContact O-CG 3.27Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.48Å; L254-L257 PolarHBondContact O-N 3.36Å; L257-I260 WeakPolarHBondContact O-CB 3.5Å; L257-I260 PolarHBondContact O-N 3.31Å; L257-C261 PolarHBondContact O-N 3.5Å; L257-C261 PolarHBondContact O-SG 3.09Å; L257-M268 HydrophobicContact CB-SD 4.49Å
258G98.6Very high98.5Very high0 Ų038.3 Ų38.30%019%0.188CC..Hα-helixtrans-59.2-50.9-176.400000113.9L254 I260 C261 N262 F293L254-G258 WeakPolarHBondContact O-CA 3.28Å; L254-G258 PolarHBondContact O-N 2.82Å; G258-I260 PolarHBondContact O-N 3.32Å; G258-C261 PolarHBondContact O-N 3.29Å; G258-N262 PolarHBondContact O-N 3.4Å; G258-F293 VanDerWaalsContact CA-CB 3.41Å
259P98.8Very high98.6Very high58 Ų5838.1 Ų38.138%0.37719%0.187SC..Hα-helixtrans-58-35.4175.9-27.135.9000113.5L255 K263 F293L255-P259 VanDerWaalsContact O-CD 3.3Å; L255-P259 WeakPolarHBondContact O-CD 3.43Å; L255-P259 WeakPolarHBondContact O-CG 3.25Å; P259-K263 VanDerWaalsContact O-CB 3.29Å; P259-K263 WeakPolarHBondContact O-CB 3.42Å; P259-K263 PolarHBondContact O-N 2.84Å; P259-F293 HydrophobicContact CG-CD1 4.5Å; P259-F293 HydrophobicContact CG-CE1 3.99Å; P259-F293 HydrophobicContact CG-CE2 4.05Å; P259-F293 HydrophobicContact CG-CZ 3.76Å
260I98.8Very high98.6Very high28 Ų2838 Ų3814%0.14419%0.186CC..Hα-helixtrans-67.4-49.8176.2-61.4168.7000109.7G219 L222 K223 L226 E256 L257 G258 N262 K263 E264G219-I260 WeakPolarHBondContact O-CD1 3.29Å; L222-I260 HydrophobicContact CD2-CB 4.47Å; L222-I260 HydrophobicContact CD2-CG2 4.19Å; L222-I260 HydrophobicContact CG-CG2 4.43Å; K223-I260 HydrophobicContact CB-CD1 4.35Å; L226-I260 HydrophobicContact CD1-CG2 3.73Å; E256-I260 WeakPolarHBondContact O-CD1 3.32Å; E256-I260 WeakPolarHBondContact O-CG1 3.42Å; L257-I260 WeakPolarHBondContact O-CB 3.5Å; L257-I260 PolarHBondContact O-N 3.31Å; G258-I260 PolarHBondContact O-N 3.32Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.93Å; I260-K263 PolarHBondContact O-N 3.06Å; I260-E264 HydrophobicContact CG2-CG 4.21Å; I260-E264 WeakPolarHBondContact O-CB 3.3Å; I260-E264 VanDerWaalsContact O-CG 3.26Å; I260-E264 WeakPolarHBondContact O-CG 3.41Å; I260-E264 PolarHBondContact O-N 3.07Å
261C98.8Very high98.6Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-57-47.2179.7-66.90000111.7L257 G258 E264 N265 V266 M268L257-C261 PolarHBondContact O-N 3.5Å; L257-C261 PolarHBondContact O-SG 3.09Å; G258-C261 PolarHBondContact O-N 3.29Å; C261-E264 PolarHBondContact O-N 3.42Å; C261-N265 PolarHBondContact O-N 3.35Å; C261-V266 HydrophobicContact CB-CB 4.34Å; C261-V266 WeakPolarHBondContact CB-O 3.44Å; C261-V266 PolarHBondContact O-N 3Å; C261-M268 HydrophobicContact CB-CB 3.97Å
262N98.4Very high98.6Very high81 Ų8137 Ų3743%0.43318%0.181SC..Hα-helixtrans-61.5-46.6177.1-811.4000112.8G258 I260 E264 N265 F293G258-N262 PolarHBondContact O-N 3.4Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.93Å; N262-E264 VanDerWaalsContact C-N 3.26Å; N262-E264 PolarHBondContact O-N 3.4Å; N262-N265 PolarHBondContact O-N 3.31Å; N262-F293 PolarHBondContact OD1-O 2.8Å
263K98.4Very high98.6Very high158 Ų15837.1 Ų37.169%0.68718%0.183SC*.Hα-helixtrans-61-38.4178.9-179.3-178.8174.6-173.50111.8P259 I260P259-K263 VanDerWaalsContact O-CB 3.29Å; P259-K263 WeakPolarHBondContact O-CB 3.42Å; P259-K263 PolarHBondContact O-N 2.84Å; I260-K263 PolarHBondContact O-N 3.06Å
264E98.1Very high98.7Very high55 Ų5532.8 Ų32.826%0.25717%0.166SC..THydrogen-bonded Turntrans-92.24.8-174.5-57.2-59.1175.700113.7L226 K230 I260 C261 N262 V266L226-E264 HydrophobicContact CD1-CB 4.39Å; L226-E264 HydrophobicContact CD1-CG 4.15Å; K230-E264 IonicContact NZ-OE1 3.93Å; K230-E264 PolarHBondContact NZ-OE1 3.38Å; K230-E264 IonicContact NZ-OE2 3.3Å; K230-E264 PolarHBondContact NZ-OE2 2.86Å; I260-E264 HydrophobicContact CG2-CG 4.21Å; I260-E264 WeakPolarHBondContact O-CB 3.3Å; I260-E264 VanDerWaalsContact O-CG 3.26Å; I260-E264 WeakPolarHBondContact O-CG 3.41Å; I260-E264 PolarHBondContact O-N 3.07Å; C261-E264 PolarHBondContact O-N 3.42Å; N262-E264 VanDerWaalsContact C-N 3.26Å; N262-E264 PolarHBondContact O-N 3.4Å; E264-V266 HydrophobicContact CB-CG2 4.01Å; E264-V266 PolarHBondContact O-N 3.38Å
265N97.6Very high98.7Very high100 Ų10032.6 Ų32.654%0.53517%0.165SC..THydrogen-bonded Turntrans53.437.8-174.9-61.3-79.6000113.2C261 N262C261-N265 PolarHBondContact O-N 3.35Å; N262-N265 PolarHBondContact O-N 3.31Å
266V98.8Very high98.7Very high3 Ų327.8 Ų27.82%0.01814%0.14CC..  trans-95.7126.5174.3173.30000108L226 P236 F239 C261 E264 M268L226-V266 HydrophobicContact CD2-CG2 4.45Å; P236-V266 HydrophobicContact CB-CG2 3.69Å; F239-V266 HydrophobicContact CB-CG1 3.86Å; C261-V266 HydrophobicContact CB-CB 4.34Å; C261-V266 WeakPolarHBondContact CB-O 3.44Å; C261-V266 PolarHBondContact O-N 3Å; E264-V266 HydrophobicContact CB-CG2 4.01Å; E264-V266 PolarHBondContact O-N 3.38Å; V266-M268 PolarHBondContact O-N 3.3Å
267W98.9Very high98.7Very high9 Ų924.2 Ų24.23%0.03412%0.123CC..EExtended strand (participates in β ladder)trans-63.5123.3174.7-177.9-68000110.1A158 A159 K162 F237 F238 F239 D295 S296 D321A158-W267 HydrophobicContact CB-CH2 4.22Å; A158-W267 HydrophobicContact CB-CZ3 4.5Å; A159-W267 HydrophobicContact CB-CB 3.45Å; A159-W267 VanDerWaalsContact CB-CB 3.45Å; A159-W267 HydrophobicContact CB-CD2 3.69Å; A159-W267 HydrophobicContact CB-CE3 3.85Å; A159-W267 HydrophobicContact CB-CG 3.54Å; K162-W267 HydrophobicContact CD-CE3 3.97Å; K162-W267 HydrophobicContact CD-CZ3 3.88Å; F237-W267 WeakPolarHBondContact O-CB 3.38Å; F237-W267 PolarHBondContact O-N 2.99Å; F238-W267 CarbonylContact C-O 3.57Å; F238-W267 WeakPolarHBondContact CA-O 3.49Å; F238-W267 HydrophobicContact CD2-CB 4.08Å; F238-W267 AromaticContact CD2-CD1 3.65Å; F238-W267 HydrophobicContact CD2-CG 4.02Å; F238-W267 AromaticContact CE2-CD1 3.65Å; F238-W267 HydrophobicContact CE2-CG 4.4Å; F239-W267 PolarHBondContact N-O 3.41Å; W267-D295 VanDerWaalsContact CA-OD2 3.28Å; W267-D295 WeakPolarHBondContact CA-OD2 3.44Å; W267-D295 HydrophobicContact CD2-CB 3.42Å; W267-D295 VanDerWaalsContact CD2-CB 3.42Å; W267-D295 HydrophobicContact CE3-CB 3.92Å; W267-D295 HydrophobicContact CG-CB 3.82Å; W267-D295 HydrophobicContact CH2-CB 4.11Å; W267-D295 HydrophobicContact CZ2-CB 3.64Å; W267-D295 HydrophobicContact CZ3-CB 4.23Å; W267-S296 PolarHBondContact NE1-OG 3.04Å; W267-D321 HydrophobicContact CH2-CB 3.88Å; W267-D321 HydrophobicContact CZ3-CB 3.77Å
268M98.9Very high98.7Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-98.7112.8173-170.2171.373.300110.5F239 L254 L257 C261 V266 I270 F293 A294 D295 S296F239-M268 HydrophobicContact CD1-CG 4.28Å; F239-M268 WeakPolarHBondContact O-CA 3.46Å; L254-M268 HydrophobicContact CD2-SD 4.47Å; L257-M268 HydrophobicContact CB-SD 4.49Å; C261-M268 HydrophobicContact CB-CB 3.97Å; V266-M268 PolarHBondContact O-N 3.3Å; M268-I270 HydrophobicContact CE-CD1 4.4Å; M268-F293 HydrophobicContact CE-CB 3.65Å; M268-A294 HydrophobicContact CE-CB 3.92Å; M268-D295 PolarHBondContact N-OD2 3.03Å; M268-D295 PolarHBondContact O-N 3.4Å; M268-S296 PolarHBondContact O-N 3.13Å
269H98.9Very high98.7Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-100.1131.2169.7175.954.3000109.3T152 S155 F238 F239 C240 A241 S296 N298T152-H269 WeakPolarHBondContact CA-NE2 3.41Å; T152-H269 PolarHBondContact OG1-NE2 3.26Å; T152-H269 VanDerWaalsContact OG1-NE2 3.15Å; S155-H269 PolarHBondContact OG-ND1 3.32Å; F238-H269 HydrophobicContact CE1-CB 4.49Å; F238-H269 HydrophobicContact CE2-CB 3.55Å; F238-H269 HydrophobicContact CZ-CB 3.47Å; F238-H269 VanDerWaalsContact CZ-CB 3.47Å; F239-H269 PolarHBondContact O-N 3.25Å; C240-H269 CarbonylContact C-O 3.53Å; C240-H269 WeakPolarHBondContact CA-O 3.24Å; A241-H269 PolarHBondContact N-O 3.27Å; H269-S296 CarbonylContact C-O 3.56Å; H269-S296 WeakPolarHBondContact CA-O 3.39Å; H269-S296 PolarHBondContact ND1-OG 3.19Å; H269-N298 PolarHBondContact CE1-OD1 2.86Å; H269-N298 PolarHBondContact NE2-OD1 3.13Å
270I98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.105CC..EExtended strand (participates in β ladder)trans-102.4115.8172.5-64.4167.3000109.4A241 L243 L254 M268 A272 V291 A294 S296 F297 N298A241-I270 HydrophobicContact CB-CG1 4.36Å; A241-I270 CarbonylContact O-C 3.55Å; A241-I270 WeakPolarHBondContact O-CA 3.27Å; L243-I270 HydrophobicContact CD1-CG2 3.77Å; L243-I270 HydrophobicContact CG-CG2 3.79Å; L254-I270 HydrophobicContact CD1-CD1 3.49Å; L254-I270 VanDerWaalsContact CD1-CD1 3.49Å; L254-I270 HydrophobicContact CD1-CG1 4.24Å; L254-I270 HydrophobicContact CD2-CD1 4.16Å; L254-I270 HydrophobicContact CD2-CG1 4.08Å; L254-I270 HydrophobicContact CG-CD1 4.47Å; M268-I270 HydrophobicContact CE-CD1 4.4Å; I270-A272 HydrophobicContact CG2-CB 4.36Å; I270-V291 HydrophobicContact CD1-CB 4.22Å; I270-V291 HydrophobicContact CD1-CG2 3.97Å; I270-A294 HydrophobicContact CD1-CB 3.53Å; I270-A294 HydrophobicContact CG1-CB 3.98Å; I270-S296 PolarHBondContact N-O 2.93Å; I270-F297 HydrophobicContact CB-CD2 3.75Å; I270-F297 HydrophobicContact CB-CE2 4.49Å; I270-F297 HydrophobicContact CD1-CD2 4.32Å; I270-F297 HydrophobicContact CG2-CD2 3.55Å; I270-F297 HydrophobicContact CG2-CE2 3.79Å; I270-F297 WeakPolarHBondContact O-CA 3.39Å; I270-N298 PolarHBondContact O-N 3.35Å; I270-N298 PolarHBondContact O-OD1 3.09Å
271D98.9Very high98.7Very high8 Ų820.1 Ų20.14%0.04310%0.099CC..EExtended strand (participates in β ladder)trans-90.6107165.7-1769.8000109.9A241 T242 L243 A273 N298A241-D271 PolarHBondContact O-N 3.16Å; T242-D271 WeakPolarHBondContact CA-O 3.43Å; L243-D271 PolarHBondContact N-O 3.02Å; D271-A273 WeakPolarHBondContact OD1-CB 3.28Å; D271-A273 PolarHBondContact OD1-N 3.31Å; D271-N298 WeakPolarHBondContact CA-OD1 3.47Å; D271-N298 PolarHBondContact OD1-ND2 3.35Å; D271-N298 VanDerWaalsContact OD1-ND2 3.09Å
272A98.8Very high98.7Very high0 Ų023.2 Ų23.20%012%0.119CC..  trans-11431.4173.200000111.3L243 I270 Y274 A275 G276 F279 F297 N298 F299L243-A272 HydrophobicContact CB-CB 4.01Å; L243-A272 WeakPolarHBondContact O-CA 3.49Å; I270-A272 HydrophobicContact CG2-CB 4.36Å; A272-Y274 CarbonylContact O-C 3.59Å; A272-Y274 PolarHBondContact O-N 2.78Å; A272-A275 PolarHBondContact O-N 2.69Å; A272-G276 WeakPolarHBondContact O-CA 3.28Å; A272-G276 PolarHBondContact O-N 2.94Å; A272-F279 HydrophobicContact CB-CE2 4.25Å; A272-F297 HydrophobicContact CB-CE2 3.65Å; A272-F297 HydrophobicContact CB-CZ 3.72Å; A272-N298 CarbonylContact C-O 3.55Å; A272-N298 WeakPolarHBondContact CA-O 3.16Å; A272-N298 WeakPolarHBondContact CB-O 3.17Å; A272-N298 PolarHBondContact N-O 3.28Å; A272-F299 HydrophobicContact CB-CB 4.29Å; A272-F299 WeakPolarHBondContact O-CB 3.46Å
273A98.9Very high98.7Very high7 Ų723.2 Ų23.26%0.05812%0.116CC..THydrogen-bonded Turntrans-39.7-49-170.900000114.2A148 D271 N300 K303A148-A273 HydrophobicContact CB-CB 3.85Å; D271-A273 WeakPolarHBondContact OD1-CB 3.28Å; D271-A273 PolarHBondContact OD1-N 3.31Å; A273-N300 VanDerWaalsContact O-CB 3.32Å; A273-N300 WeakPolarHBondContact O-CB 3.42Å; A273-N300 PolarHBondContact O-N 2.77Å; A273-K303 HydrophobicContact CB-CD 4.2Å; A273-K303 WeakPolarHBondContact O-CD 3.34Å
274Y98.8Very high98.7Very high1 Ų117.2 Ų17.20%0.0049%0.09CC..THydrogen-bonded Turntrans-88.8-60.4176.8171.1-114.1000112.5F80 P81 A272 G276 S277 W304 L406 G407F80-Y274 HydrophobicContact CB-CD2 4.1Å; F80-Y274 HydrophobicContact CB-CG 4.47Å; F80-Y274 AromaticContact CD1-CD1 3.7Å; F80-Y274 HydrophobicContact CD1-CD1 3.7Å; F80-Y274 AromaticContact CD1-CD2 3.52Å; F80-Y274 HydrophobicContact CD1-CD2 3.52Å; F80-Y274 AromaticContact CD1-CE1 3.87Å; F80-Y274 HydrophobicContact CD1-CE1 3.87Å; F80-Y274 AromaticContact CD1-CE2 3.72Å; F80-Y274 HydrophobicContact CD1-CE2 3.72Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.88Å; F80-Y274 HydrophobicContact CD2-CD2 4.47Å; F80-Y274 HydrophobicContact CD2-CG 4.02Å; F80-Y274 AromaticContact CE1-CD1 3.23Å; F80-Y274 HydrophobicContact CE1-CD1 3.23Å; F80-Y274 AromaticContact CE1-CD2 3.99Å; F80-Y274 HydrophobicContact CE1-CD2 3.99Å; F80-Y274 AromaticContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE2 4.14Å; F80-Y274 AromaticContact CE1-CG 3.55Å; F80-Y274 HydrophobicContact CE1-CG 3.55Å; F80-Y274 AromaticContact CE1-CZ 3.86Å; F80-Y274 HydrophobicContact CE2-CD1 4.11Å; F80-Y274 HydrophobicContact CE2-CG 4Å; F80-Y274 HydrophobicContact CG-CD1 4.34Å; F80-Y274 AromaticContact CG-CD2 3.81Å; F80-Y274 HydrophobicContact CG-CD2 3.81Å; F80-Y274 HydrophobicContact CG-CE2 4.4Å; F80-Y274 AromaticContact CG-CG 3.77Å; F80-Y274 HydrophobicContact CG-CG 3.77Å; F80-Y274 AromaticContact CZ-CD1 3.46Å; F80-Y274 HydrophobicContact CZ-CD1 3.46Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.46Å; F80-Y274 HydrophobicContact CZ-CE1 4.04Å; F80-Y274 AromaticContact CZ-CG 3.79Å; F80-Y274 HydrophobicContact CZ-CG 3.79Å; P81-Y274 HydrophobicContact CG-CE2 4.11Å; A272-Y274 CarbonylContact O-C 3.59Å; A272-Y274 PolarHBondContact O-N 2.78Å; Y274-G276 VanDerWaalsContact C-N 3.27Å; Y274-G276 PolarHBondContact O-N 3.17Å; Y274-S277 PolarHBondContact O-N 3.37Å; Y274-W304 HydrophobicContact CD2-CB 4.36Å; Y274-W304 HydrophobicContact CD2-CD2 4.36Å; Y274-W304 HydrophobicContact CD2-CE3 4.18Å; Y274-W304 HydrophobicContact CD2-CG 4.48Å; Y274-W304 HydrophobicContact CE1-CE3 4.39Å; Y274-W304 HydrophobicContact CE1-CZ3 4.24Å; Y274-W304 HydrophobicContact CE2-CB 4.25Å; Y274-W304 AromaticContact CE2-CD2 3.56Å; Y274-W304 HydrophobicContact CE2-CD2 3.56Å; Y274-W304 AromaticContact CE2-CE3 3.56Å; Y274-W304 HydrophobicContact CE2-CE3 3.56Å; Y274-W304 AromaticContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CZ3 4.13Å; Y274-W304 AromaticContact CZ-CD2 3.95Å; Y274-W304 AromaticContact CZ-CE3 3.68Å; Y274-W304 AromaticContact CZ-CZ3 3.74Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.3Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.28Å; Y274-L406 HydrophobicContact CE1-CB 4.28Å; Y274-L406 HydrophobicContact CE1-CD1 4.37Å; Y274-G407 WeakPolarHBondContact OH-CA 3.35Å; Y274-G407 PolarHBondContact OH-N 2.73Å
275A98.8Very high98.7Very high0 Ų017.6 Ų17.60%09%0.089CC..G310 helixtrans-69.5-19.7-168.600000114.2L243 F251 A272 S277 A278 F279 L406L243-A275 WeakPolarHBondContact O-CB 3.37Å; F251-A275 HydrophobicContact CE1-CB 3.67Å; F251-A275 HydrophobicContact CZ-CB 3.86Å; A272-A275 PolarHBondContact O-N 2.69Å; A275-S277 PolarHBondContact O-N 3.31Å; A275-S277 VanDerWaalsContact O-N 3.09Å; A275-A278 VanDerWaalsContact O-CB 3.22Å; A275-A278 WeakPolarHBondContact O-CB 3.46Å; A275-A278 PolarHBondContact O-N 2.87Å; A275-F279 HydrophobicContact CB-CZ 4.45Å; A275-L406 HydrophobicContact CB-CD1 3.55Å
276G98.8Very high98.7Very high0 Ų018.1 Ų18.10%09%0.088CC..G310 helixtrans-57.9-27.5179.700000114A272 Y274 A278 F279A272-G276 WeakPolarHBondContact O-CA 3.28Å; A272-G276 PolarHBondContact O-N 2.94Å; Y274-G276 VanDerWaalsContact C-N 3.27Å; Y274-G276 PolarHBondContact O-N 3.17Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 3.5Å; G276-F279 PolarHBondContact O-N 3.08Å
277S98.7Very high98.7Very high0 Ų019.3 Ų19.30%09%0.094CC..G310 helixtrans-67.2-27173.7-56.70000112.5Y274 A275 F279 I280Y274-S277 PolarHBondContact O-N 3.37Å; A275-S277 PolarHBondContact O-N 3.31Å; A275-S277 VanDerWaalsContact O-N 3.09Å; S277-F279 VanDerWaalsContact C-N 3.28Å; S277-F279 PolarHBondContact O-N 3.48Å; S277-I280 WeakPolarHBondContact O-CG1 3.49Å
278A98.8Very high98.7Very high0 Ų019.2 Ų19.20%010%0.095CC..G310 helixtrans-69.2-26.5-18000000112.8A275 G276 I280 C281 F284 W304 I378 L406A275-A278 VanDerWaalsContact O-CB 3.22Å; A275-A278 WeakPolarHBondContact O-CB 3.46Å; A275-A278 PolarHBondContact O-N 2.87Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 3.5Å; A278-I280 PolarHBondContact O-N 3Å; A278-I280 VanDerWaalsContact O-N 3.1Å; A278-C281 WeakPolarHBondContact O-CB 3.11Å; A278-C281 PolarHBondContact O-N 3.2Å; A278-F284 HydrophobicContact CB-CB 4.28Å; A278-F284 HydrophobicContact CB-CD2 4.27Å; A278-F284 HydrophobicContact CB-CG 4.45Å; A278-W304 HydrophobicContact CB-CZ3 3.96Å; A278-I378 HydrophobicContact CB-CG2 4.28Å; A278-L406 HydrophobicContact CB-CD1 4.1Å; A278-L406 HydrophobicContact CB-CD2 3.89Å
279F98.8Very high98.7Very high0 Ų023.5 Ų23.50%012%0.117CC..G310 helixtrans-70.1-8-175.5-53-30.4000113.8I126 L243 F251 A272 A275 G276 S277 C281 R285 L287 L288 F297I126-F279 HydrophobicContact CB-CB 3.85Å; I126-F279 HydrophobicContact CG2-CB 4.05Å; L243-F279 HydrophobicContact CB-CZ 4.31Å; L243-F279 HydrophobicContact CD1-CE2 3.93Å; L243-F279 HydrophobicContact CD1-CZ 3.89Å; F251-F279 HydrophobicContact CE1-CZ 4.43Å; A272-F279 HydrophobicContact CB-CE2 4.25Å; A275-F279 HydrophobicContact CB-CZ 4.45Å; G276-F279 PolarHBondContact O-N 3.08Å; S277-F279 VanDerWaalsContact C-N 3.28Å; S277-F279 PolarHBondContact O-N 3.48Å; F279-C281 PolarHBondContact O-N 3.4Å; F279-R285 HydrophobicContact CB-CG 4.49Å; F279-R285 WeakPolarHBondContact O-CG 3.46Å; F279-R285 PolarHBondContact O-NE 2.9Å; F279-L287 HydrophobicContact CE1-CB 3.83Å; F279-L287 HydrophobicContact CE1-CD1 4.49Å; F279-L287 HydrophobicContact CZ-CB 4.38Å; F279-L288 HydrophobicContact CB-CD2 4.39Å; F279-L288 HydrophobicContact CD1-CB 4.47Å; F279-L288 HydrophobicContact CD2-CB 4.2Å; F279-L288 HydrophobicContact CD2-CD1 3.95Å; F279-L288 HydrophobicContact CD2-CD2 3.9Å; F279-L288 HydrophobicContact CD2-CG 4.23Å; F279-L288 HydrophobicContact CE2-CB 4.21Å; F279-L288 HydrophobicContact CE2-CD1 3.75Å; F279-L288 HydrophobicContact CE2-CG 4.38Å; F279-L288 HydrophobicContact CG-CB 4.34Å; F279-L288 HydrophobicContact CG-CD2 4.25Å; F279-L288 HydrophobicContact CZ-CB 4.38Å; F279-F297 HydrophobicContact CD2-CZ 4.29Å; F279-F297 HydrophobicContact CE2-CE2 4.42Å; F279-F297 HydrophobicContact CE2-CZ 4.29Å
280I98.8Very high98.6Very high0 Ų023.5 Ų23.50%012%0.117CC..G310 helixtrans-63.7-24.8165.774.9174.3000111.5M125 I126 S277 A278 L305 L374 Q375 I378M125-I280 HydrophobicContact CB-CG2 4.25Å; M125-I280 HydrophobicContact CE-CB 4.45Å; M125-I280 HydrophobicContact CE-CG2 3.94Å; M125-I280 WeakPolarHBondContact O-CA 2.98Å; I126-I280 HydrophobicContact CG2-CG2 3.72Å; S277-I280 WeakPolarHBondContact O-CG1 3.49Å; A278-I280 PolarHBondContact O-N 3Å; A278-I280 VanDerWaalsContact O-N 3.1Å; I280-L305 HydrophobicContact CD1-CD1 3.74Å; I280-L305 HydrophobicContact CG2-CD1 4.31Å; I280-L374 HydrophobicContact CD1-CB 3.6Å; I280-Q375 HydrophobicContact CD1-CG 4.08Å; I280-Q375 HydrophobicContact CG1-CG 3.92Å; I280-Q375 PolarHBondContact O-NE2 2.57Å; I280-I378 HydrophobicContact CD1-CG1 4.16Å
281C98.9Very high98.6Very high0 Ų023.9 Ų23.90%012%0.12CC..SBendtrans-91.6118.3175.9-51.40000108.6A278 F279 E283 F284A278-C281 WeakPolarHBondContact O-CB 3.11Å; A278-C281 PolarHBondContact O-N 3.2Å; F279-C281 PolarHBondContact O-N 3.4Å; C281-E283 HydrophobicContact CB-CG 4.42Å; C281-E283 PolarHBondContact O-N 3.45Å; C281-E283 VanDerWaalsContact O-N 3.14Å; C281-F284 HydrophobicContact CB-CD2 3.73Å; C281-F284 HydrophobicContact CB-CE2 4.15Å; C281-F284 PolarHBondContact O-N 3.15Å; C281-F284 VanDerWaalsContact O-N 3.12Å
282P98.6Very high98.6Very high66 Ų6627.4 Ų27.443%0.42914%0.136SC..G310 helixtrans-54.2-35.1-174.8-2936.4000115F284 R285P282-F284 PolarHBondContact O-N 3.46Å; P282-R285 WeakPolarHBondContact O-CB 3.31Å; P282-R285 PolarHBondContact O-N 2.77Å; P282-R285 VanDerWaalsContact O-N 3.15Å
283E98.8Very high98.6Very high81 Ų8129.9 Ų29.938%0.37915%0.147SC..G310 helixtrans-62.7-22.2-178.962.1-90.6-146.300114.2C281 H286 R379C281-E283 HydrophobicContact CB-CG 4.42Å; C281-E283 PolarHBondContact O-N 3.45Å; C281-E283 VanDerWaalsContact O-N 3.14Å; E283-H286 PolarHBondContact O-CE1 2.98Å; E283-H286 PolarHBondContact O-ND1 2.82Å; E283-R379 IonicContact OE1-CZ 3.85Å; E283-R379 VanDerWaalsContact OE1-CZ 3.28Å; E283-R379 IonicContact OE1-NE 2.61Å; E283-R379 PolarHBondContact OE1-NE 2.98Å; E283-R379 IonicContact OE1-NH2 3.08Å; E283-R379 PolarHBondContact OE1-NH2 3.42Å; E283-R379 IonicContact OE2-CZ 2.91Å; E283-R379 IonicContact OE2-NH2 3.91Å; E283-R379 PolarHBondContact OE2-NH2 3.38Å
284F98.6Very high98.6Very high31 Ų3129.6 Ų29.614%0.13614%0.144CC..G310 helixtrans-99.5-1.9177.7-57.7-60000113.7A278 C281 P282 H286 L287 I382 L406A278-F284 HydrophobicContact CB-CB 4.28Å; A278-F284 HydrophobicContact CB-CD2 4.27Å; A278-F284 HydrophobicContact CB-CG 4.45Å; C281-F284 HydrophobicContact CB-CD2 3.73Å; C281-F284 HydrophobicContact CB-CE2 4.15Å; C281-F284 PolarHBondContact O-N 3.15Å; C281-F284 VanDerWaalsContact O-N 3.12Å; P282-F284 PolarHBondContact O-N 3.46Å; F284-H286 PolarHBondContact O-N 3.14Å; F284-L287 HydrophobicContact CB-CD1 4.41Å; F284-L287 WeakPolarHBondContact O-CB 3.46Å; F284-L287 PolarHBondContact O-N 3.43Å; F284-I382 HydrophobicContact CD2-CD1 4Å; F284-I382 HydrophobicContact CE1-CD1 4.01Å; F284-I382 HydrophobicContact CE2-CD1 3.27Å; F284-I382 HydrophobicContact CZ-CD1 3.28Å; F284-I382 HydrophobicContact CZ-CG2 4.23Å; F284-L406 HydrophobicContact CD1-CD2 4.05Å; F284-L406 HydrophobicContact CE1-CD2 4.3Å; F284-L406 HydrophobicContact CG-CD2 4.23Å
285R98.1Very high98.6Very high64 Ų6430.8 Ų30.824%0.24215%0.151CC..G310 helixtrans-68.7-18.1-177.1-68.7179.1-177.9169.4-3113.8M125 F279 P282 L287 L288M125-R285 PolarHBondContact O-NH2 3.14Å; F279-R285 HydrophobicContact CB-CG 4.49Å; F279-R285 WeakPolarHBondContact O-CG 3.46Å; F279-R285 PolarHBondContact O-NE 2.9Å; P282-R285 WeakPolarHBondContact O-CB 3.31Å; P282-R285 PolarHBondContact O-N 2.77Å; P282-R285 VanDerWaalsContact O-N 3.15Å; R285-L287 PolarHBondContact O-N 3.2Å; R285-L288 WeakPolarHBondContact O-CB 3.32Å; R285-L288 PolarHBondContact O-N 2.91Å
286H98.3Very high98.6Very high111 Ų11130.8 Ų30.851%0.51415%0.151SC..G310 helixtrans-60-27.4174.366.9-86.1000112.4E283 F284 L288 N289E283-H286 PolarHBondContact O-CE1 2.98Å; E283-H286 PolarHBondContact O-ND1 2.82Å; F284-H286 PolarHBondContact O-N 3.14Å; H286-L288 PolarHBondContact O-N 2.55Å; H286-N289 WeakPolarHBondContact O-CB 3.44Å; H286-N289 VanDerWaalsContact O-CG 3.23Å; H286-N289 PolarHBondContact O-N 3.41Å; H286-N289 PolarHBondContact O-ND2 3.43Å
287L98.4Very high98.6Very high28 Ų2830.8 Ų30.815%0.14715%0.151CC..G310 helixtrans-70.9-12.1174.3-59.2168.8000113.2F251 F279 F284 R285 I405F251-L287 HydrophobicContact CD1-CB 3.99Å; F251-L287 HydrophobicContact CD1-CD1 4.4Å; F251-L287 HydrophobicContact CD1-CD2 4.28Å; F251-L287 HydrophobicContact CD1-CG 4.45Å; F251-L287 HydrophobicContact CD2-CD2 4.19Å; F251-L287 HydrophobicContact CE1-CB 4.04Å; F251-L287 HydrophobicContact CE1-CD1 3.85Å; F251-L287 HydrophobicContact CE1-CG 4.35Å; F251-L287 HydrophobicContact CE2-CD1 4.17Å; F251-L287 HydrophobicContact CE2-CD2 4.42Å; F251-L287 HydrophobicContact CG-CD2 4.14Å; F251-L287 HydrophobicContact CZ-CD1 3.73Å; F279-L287 HydrophobicContact CE1-CB 3.83Å; F279-L287 HydrophobicContact CE1-CD1 4.49Å; F279-L287 HydrophobicContact CZ-CB 4.38Å; F284-L287 HydrophobicContact CB-CD1 4.41Å; F284-L287 WeakPolarHBondContact O-CB 3.46Å; F284-L287 PolarHBondContact O-N 3.43Å; R285-L287 PolarHBondContact O-N 3.2Å; L287-I405 HydrophobicContact CD1-CG2 3.84Å; L287-I405 HydrophobicContact CD2-CG2 4.44Å
288L98.1Very high98.6Very high7 Ų730.8 Ų30.84%0.03715%0.151CC..G310 helixtrans-99.2-5.4177.5-171.361.7000112.3I126 L243 F279 R285 H286 G290 V291 F297I126-L288 WeakPolarHBondContact O-CD2 3.39Å; L243-L288 HydrophobicContact CD1-CD1 3.76Å; F279-L288 HydrophobicContact CB-CD2 4.39Å; F279-L288 HydrophobicContact CD1-CB 4.47Å; F279-L288 HydrophobicContact CD2-CB 4.2Å; F279-L288 HydrophobicContact CD2-CD1 3.95Å; F279-L288 HydrophobicContact CD2-CD2 3.9Å; F279-L288 HydrophobicContact CD2-CG 4.23Å; F279-L288 HydrophobicContact CE2-CB 4.21Å; F279-L288 HydrophobicContact CE2-CD1 3.75Å; F279-L288 HydrophobicContact CE2-CG 4.38Å; F279-L288 HydrophobicContact CG-CB 4.34Å; F279-L288 HydrophobicContact CG-CD2 4.25Å; F279-L288 HydrophobicContact CZ-CB 4.38Å; R285-L288 WeakPolarHBondContact O-CB 3.32Å; R285-L288 PolarHBondContact O-N 2.91Å; H286-L288 PolarHBondContact O-N 2.55Å; L288-G290 PolarHBondContact O-N 3.06Å; L288-V291 HydrophobicContact CD1-CB 3.74Å; L288-V291 HydrophobicContact CD1-CG1 4.26Å; L288-V291 HydrophobicContact CD1-CG2 3.86Å; L288-V291 HydrophobicContact CD2-CG1 4.33Å; L288-V291 HydrophobicContact CG-CB 3.85Å; L288-V291 HydrophobicContact CG-CG1 3.81Å; L288-V291 HydrophobicContact CG-CG2 4.32Å; L288-V291 WeakPolarHBondContact O-CB 3.31Å; L288-V291 WeakPolarHBondContact O-CG1 3.31Å; L288-V291 PolarHBondContact O-N 2.94Å; L288-F297 HydrophobicContact CD1-CD2 4.28Å; L288-F297 HydrophobicContact CD1-CE2 3.62Å; L288-F297 HydrophobicContact CD1-CZ 4.25Å
289N98.4Very high98.6Very high89 Ų8930.8 Ų30.848%0.47615%0.151SC..THydrogen-bonded Turntrans-56.4127.1-179.7-70.9-12.5000110.7L254 L255 H286L254-N289 WeakPolarHBondContact CB-O 3.43Å; L255-N289 HydrophobicContact CD1-CB 4.13Å; L255-N289 HydrophobicContact CD2-CB 4.44Å; L255-N289 HydrophobicContact CG-CB 4.28Å; H286-N289 WeakPolarHBondContact O-CB 3.44Å; H286-N289 VanDerWaalsContact O-CG 3.23Å; H286-N289 PolarHBondContact O-N 3.41Å; H286-N289 PolarHBondContact O-ND2 3.43Å
290G98.4Very high98.6Very high0 Ų031.1 Ų31.10%015%0.152CC..THydrogen-bonded Turntrans101.4-3.4-172.500000114.2L288 E292 F293L288-G290 PolarHBondContact O-N 3.06Å; G290-E292 WeakPolarHBondContact CA-OE2 3.48Å; G290-E292 PolarHBondContact N-OE2 3.25Å; G290-E292 PolarHBondContact O-N 2.93Å; G290-F293 VanDerWaalsContact O-CD2 3.27Å; G290-F293 WeakPolarHBondContact O-CD2 3.4Å; G290-F293 PolarHBondContact O-N 3.49Å; G290-F293 VanDerWaalsContact O-N 3.13Å
291V98.7Very high98.6Very high8 Ų831.1 Ų31.15%0.04815%0.152CC..G310 helixtrans-58-24.9173.466.10000113.3L128 P129 F132 I270 L288 F293 A294 F297L128-V291 HydrophobicContact CD2-CG2 3.65Å; P129-V291 HydrophobicContact CG-CG1 3.97Å; F132-V291 HydrophobicContact CE2-CG2 4.39Å; I270-V291 HydrophobicContact CD1-CB 4.22Å; I270-V291 HydrophobicContact CD1-CG2 3.97Å; L288-V291 HydrophobicContact CD1-CB 3.74Å; L288-V291 HydrophobicContact CD1-CG1 4.26Å; L288-V291 HydrophobicContact CD1-CG2 3.86Å; L288-V291 HydrophobicContact CD2-CG1 4.33Å; L288-V291 HydrophobicContact CG-CB 3.85Å; L288-V291 HydrophobicContact CG-CG1 3.81Å; L288-V291 HydrophobicContact CG-CG2 4.32Å; L288-V291 WeakPolarHBondContact O-CB 3.31Å; L288-V291 WeakPolarHBondContact O-CG1 3.31Å; L288-V291 PolarHBondContact O-N 2.94Å; V291-F293 PolarHBondContact O-N 2.71Å; V291-A294 WeakPolarHBondContact O-CB 3.46Å; V291-A294 PolarHBondContact O-N 3.04Å; V291-F297 HydrophobicContact CG2-CD2 4.22Å
292E98.4Very high98.6Very high82 Ų8231.7 Ų31.738%0.38316%0.155SC..G310 helixtrans-60.8-23176.865.6-86.5-158.300113.4P129 G290 K317P129-E292 HydrophobicContact CG-CB 4.23Å; G290-E292 WeakPolarHBondContact CA-OE2 3.48Å; G290-E292 PolarHBondContact N-OE2 3.25Å; G290-E292 PolarHBondContact O-N 2.93Å; E292-K317 PolarHBondContact O-NZ 2.78Å
293F98.6Very high98.6Very high52 Ų5230.4 Ų30.423%0.22814%0.143CC..G310 helixtrans-81.8-13.4175.4-58.7-68.7000113.1L255 G258 P259 N262 M268 G290 V291L255-F293 HydrophobicContact CD2-CE2 4.32Å; G258-F293 VanDerWaalsContact CA-CB 3.41Å; P259-F293 HydrophobicContact CG-CD1 4.5Å; P259-F293 HydrophobicContact CG-CE1 3.99Å; P259-F293 HydrophobicContact CG-CE2 4.05Å; P259-F293 HydrophobicContact CG-CZ 3.76Å; N262-F293 PolarHBondContact OD1-O 2.8Å; M268-F293 HydrophobicContact CE-CB 3.65Å; G290-F293 VanDerWaalsContact O-CD2 3.27Å; G290-F293 WeakPolarHBondContact O-CD2 3.4Å; G290-F293 PolarHBondContact O-N 3.49Å; G290-F293 VanDerWaalsContact O-N 3.13Å; V291-F293 PolarHBondContact O-N 2.71Å
294A98.7Very high98.6Very high1 Ų126.6 Ų26.61%0.00813%0.125CC..  trans-75.3146.6-175.500000112.9F132 M268 I270 V291F132-A294 HydrophobicContact CZ-CB 4.12Å; F132-A294 WeakPolarHBondContact CZ-O 3.44Å; M268-A294 HydrophobicContact CE-CB 3.92Å; I270-A294 HydrophobicContact CD1-CB 3.53Å; I270-A294 HydrophobicContact CG1-CB 3.98Å; V291-A294 WeakPolarHBondContact O-CB 3.46Å; V291-A294 PolarHBondContact O-N 3.04Å
295D98.9Very high98.6Very high27 Ų2725.1 Ų25.114%0.14412%0.119CC..SBendtrans-86.8-32.3168.2-66.2-93.7000111.1K162 W267 M268 V316 K317K162-D295 IonicContact NZ-OD1 3.47Å; K162-D295 PolarHBondContact NZ-OD1 2.94Å; W267-D295 VanDerWaalsContact CA-OD2 3.28Å; W267-D295 WeakPolarHBondContact CA-OD2 3.44Å; W267-D295 HydrophobicContact CD2-CB 3.42Å; W267-D295 VanDerWaalsContact CD2-CB 3.42Å; W267-D295 HydrophobicContact CE3-CB 3.92Å; W267-D295 HydrophobicContact CG-CB 3.82Å; W267-D295 HydrophobicContact CH2-CB 4.11Å; W267-D295 HydrophobicContact CZ2-CB 3.64Å; W267-D295 HydrophobicContact CZ3-CB 4.23Å; M268-D295 PolarHBondContact N-OD2 3.03Å; M268-D295 PolarHBondContact O-N 3.4Å; D295-V316 WeakPolarHBondContact O-CA 3.38Å; D295-K317 PolarHBondContact O-N 2.98Å
296S98.9Very high98.6Very high0 Ų022.3 Ų22.30%011%0.108CC..EExtended strand (participates in β ladder)trans-146152.9175.4630000113.5S155 W267 M268 H269 I270 W315S155-S296 WeakPolarHBondContact CB-OG 3.5Å; S155-S296 PolarHBondContact OG-OG 2.77Å; W267-S296 PolarHBondContact NE1-OG 3.04Å; M268-S296 PolarHBondContact O-N 3.13Å; H269-S296 CarbonylContact C-O 3.56Å; H269-S296 WeakPolarHBondContact CA-O 3.39Å; H269-S296 PolarHBondContact ND1-OG 3.19Å; I270-S296 PolarHBondContact N-O 2.93Å; S296-W315 CarbonylContact C-O 3.51Å; S296-W315 WeakPolarHBondContact CA-O 3.26Å; S296-W315 WeakPolarHBondContact CB-O 3.31Å
297F98.9Very high98.6Very high0 Ų017 Ų170%08%0.084CC..EExtended strand (participates in β ladder)trans-139.9138.3-178.9174.3-90.8000109.5I126 L128 I270 A272 F279 L288 V291 F299 M314 W315I126-F297 HydrophobicContact CD1-CD1 4.25Å; I126-F297 HydrophobicContact CD1-CE1 3.4Å; I126-F297 VanDerWaalsContact CD1-CE1 3.4Å; I126-F297 HydrophobicContact CD1-CZ 3.91Å; L128-F297 HydrophobicContact CD1-CD1 4.06Å; L128-F297 HydrophobicContact CD1-CE1 4.48Å; L128-F297 HydrophobicContact CD2-CB 4.47Å; L128-F297 HydrophobicContact CD2-CD1 3.99Å; L128-F297 HydrophobicContact CD2-CD2 4.44Å; L128-F297 HydrophobicContact CD2-CE1 4.33Å; L128-F297 HydrophobicContact CD2-CG 4.06Å; I270-F297 HydrophobicContact CB-CD2 3.75Å; I270-F297 HydrophobicContact CB-CE2 4.49Å; I270-F297 HydrophobicContact CD1-CD2 4.32Å; I270-F297 HydrophobicContact CG2-CD2 3.55Å; I270-F297 HydrophobicContact CG2-CE2 3.79Å; I270-F297 WeakPolarHBondContact O-CA 3.39Å; A272-F297 HydrophobicContact CB-CE2 3.65Å; A272-F297 HydrophobicContact CB-CZ 3.72Å; F279-F297 HydrophobicContact CD2-CZ 4.29Å; F279-F297 HydrophobicContact CE2-CE2 4.42Å; F279-F297 HydrophobicContact CE2-CZ 4.29Å; L288-F297 HydrophobicContact CD1-CD2 4.28Å; L288-F297 HydrophobicContact CD1-CE2 3.62Å; L288-F297 HydrophobicContact CD1-CZ 4.25Å; V291-F297 HydrophobicContact CG2-CD2 4.22Å; F297-F299 AromaticContact CE1-CD1 3.74Å; F297-F299 HydrophobicContact CE1-CD1 3.74Å; F297-F299 HydrophobicContact CE1-CE1 4.45Å; F297-F299 HydrophobicContact CZ-CD1 4.41Å; F297-M314 CarbonylContact O-C 3.56Å; F297-M314 WeakPolarHBondContact O-CA 3.33Å; F297-W315 AromaticContact CD1-CE3 3.84Å; F297-W315 HydrophobicContact CD1-CE3 3.84Å; F297-W315 HydrophobicContact CD1-CZ3 4.18Å; F297-W315 HydrophobicContact CE1-CE3 4.4Å; F297-W315 HydrophobicContact CE1-CZ3 4.3Å; F297-W315 PolarHBondContact N-O 2.87Å; F297-W315 PolarHBondContact O-N 2.97Å
298N98.9Very high98.6Very high0 Ų016.7 Ų16.70%08%0.082CC..EExtended strand (participates in β ladder)trans-132.8152.7169.576.4-89000112.8A148 A151 H269 I270 D271 A272 A313 M314A148-N298 VanDerWaalsContact CB-ND2 3.32Å; A148-N298 WeakPolarHBondContact CB-ND2 3.19Å; A151-N298 HydrophobicContact CB-CB 3.83Å; H269-N298 PolarHBondContact CE1-OD1 2.86Å; H269-N298 PolarHBondContact NE2-OD1 3.13Å; I270-N298 PolarHBondContact O-N 3.35Å; I270-N298 PolarHBondContact O-OD1 3.09Å; D271-N298 WeakPolarHBondContact CA-OD1 3.47Å; D271-N298 PolarHBondContact OD1-ND2 3.35Å; D271-N298 VanDerWaalsContact OD1-ND2 3.09Å; A272-N298 CarbonylContact C-O 3.55Å; A272-N298 WeakPolarHBondContact CA-O 3.16Å; A272-N298 WeakPolarHBondContact CB-O 3.17Å; A272-N298 PolarHBondContact N-O 3.28Å; N298-A313 CarbonylContact C-O 3.47Å; N298-A313 WeakPolarHBondContact CA-O 3.18Å; N298-A313 WeakPolarHBondContact CB-O 3.32Å; N298-M314 HydrophobicContact CB-CB 4.33Å
299F98.8Very high98.6Very high0 Ų022.5 Ų22.50%011%0.108CC..EExtended strand (participates in β ladder)trans-149.6168.5157.379.6-78.7000111.7L122 I126 A272 F297 P301 L305 A313 W315L122-F299 HydrophobicContact CD1-CZ 3.76Å; L122-F299 HydrophobicContact CD2-CE1 3.99Å; L122-F299 HydrophobicContact CD2-CZ 3.69Å; L122-F299 HydrophobicContact CG-CE1 4.04Å; L122-F299 HydrophobicContact CG-CZ 3.74Å; I126-F299 HydrophobicContact CD1-CD1 4.25Å; I126-F299 HydrophobicContact CD1-CE1 3.84Å; I126-F299 HydrophobicContact CG2-CE1 4.32Å; I126-F299 HydrophobicContact CG2-CZ 4.22Å; A272-F299 HydrophobicContact CB-CB 4.29Å; A272-F299 WeakPolarHBondContact O-CB 3.46Å; F297-F299 AromaticContact CE1-CD1 3.74Å; F297-F299 HydrophobicContact CE1-CD1 3.74Å; F297-F299 HydrophobicContact CE1-CE1 4.45Å; F297-F299 HydrophobicContact CZ-CD1 4.41Å; F299-P301 HydrophobicContact CE2-CG 4.1Å; F299-P301 HydrophobicContact CZ-CG 4.4Å; F299-P301 WeakPolarHBondContact O-CD 3.36Å; F299-L305 HydrophobicContact CE2-CD2 4.33Å; F299-A313 PolarHBondContact N-O 3.15Å; F299-A313 PolarHBondContact O-N 2.89Å; F299-W315 HydrophobicContact CD1-CH2 4.02Å; F299-W315 AromaticContact CD1-CZ3 3.64Å; F299-W315 HydrophobicContact CD1-CZ3 3.64Å; F299-W315 AromaticContact CE1-CH2 3.46Å; F299-W315 HydrophobicContact CE1-CH2 3.46Å; F299-W315 VanDerWaalsContact CE1-CH2 3.46Å; F299-W315 AromaticContact CE1-CZ3 3.6Å; F299-W315 HydrophobicContact CE1-CZ3 3.6Å; F299-W315 HydrophobicContact CZ-CH2 4.44Å
300N98.9Very high98.5Very high6 Ų619.1 Ų19.13%0.0329%0.089CC..  trans-107103.1-176.6-61.9-8.1000110.8A148 A273 H302 K303 S312A148-N300 WeakPolarHBondContact CB-OD1 3.39Å; A273-N300 VanDerWaalsContact O-CB 3.32Å; A273-N300 WeakPolarHBondContact O-CB 3.42Å; A273-N300 PolarHBondContact O-N 2.77Å; N300-H302 PolarHBondContact ND2-CE1 3.19Å; N300-H302 PolarHBondContact ND2-NE2 3.45Å; N300-H302 PolarHBondContact O-N 2.79Å; N300-H302 VanDerWaalsContact O-N 3.14Å; N300-K303 HydrophobicContact CB-CB 3.91Å; N300-K303 HydrophobicContact CB-CD 4.07Å; N300-K303 HydrophobicContact CB-CG 3.72Å; N300-K303 PolarHBondContact O-N 3Å; N300-S312 PolarHBondContact OD1-OG 3.39Å; N300-S312 VanDerWaalsContact OD1-OG 3.04Å
301P98.8Very high98.6Very high0 Ų019.1 Ų19.10%09%0.089CC..Hα-helixtrans-51.4-32.1162.3-30.134.8000112.6L122 F299 K303 L305 V307 C311 A313 L362L122-P301 HydrophobicContact CD2-CG 3.89Å; F299-P301 HydrophobicContact CE2-CG 4.1Å; F299-P301 HydrophobicContact CZ-CG 4.4Å; F299-P301 WeakPolarHBondContact O-CD 3.36Å; P301-K303 PolarHBondContact O-N 3.31Å; P301-L305 HydrophobicContact CB-CB 4.12Å; P301-L305 HydrophobicContact CB-CD2 4.29Å; P301-L305 CarbonylContact O-C 3.56Å; P301-L305 WeakPolarHBondContact O-CA 3.19Å; P301-L305 WeakPolarHBondContact O-CB 3.44Å; P301-L305 PolarHBondContact O-N 3.47Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 3.91Å; P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.46Å; P301-A313 HydrophobicContact CG-CB 4.24Å; P301-L362 HydrophobicContact CB-CD1 4.35Å; P301-L362 HydrophobicContact CG-CD1 4.48Å
302H98.6Very high98.6Very high12 Ų1218.8 Ų18.86%0.0569%0.087CC..Hα-helixtrans-72-8.9175.571.1-110.9000115.9A82 A83 N300 V307 F309 C311A82-H302 CarbonylContact C-O 3.49Å; A82-H302 WeakPolarHBondContact CA-O 3.48Å; A83-H302 PolarHBondContact N-O 2.96Å; N300-H302 PolarHBondContact ND2-CE1 3.19Å; N300-H302 PolarHBondContact ND2-NE2 3.45Å; N300-H302 PolarHBondContact O-N 2.79Å; N300-H302 VanDerWaalsContact O-N 3.14Å; H302-V307 WeakPolarHBondContact CA-O 3.27Å; H302-F309 HydrophobicContact CB-CB 4.34Å; H302-F309 AromaticContact CD2-CD2 3.73Å; H302-F309 AromaticContact CE1-CD2 3.97Å; H302-F309 AromaticContact CG-CD2 3.9Å; H302-F309 AromaticContact NE2-CD2 3.81Å; H302-C311 HydrophobicContact CB-CB 4.27Å; H302-C311 PolarHBondContact N-O 3.03Å; H302-C311 PolarHBondContact ND1-N 3.45Å; H302-C311 VanDerWaalsContact ND1-N 3.13Å; H302-C311 PolarHBondContact ND1-O 3.03Å
303K98.6Very high98.6Very high39 Ų3914.9 Ų14.917%0.177%0.069CC..Hα-helixtrans-84.8-53.5172.1-81.2-174.5172.4178.70111.1F80 P81 A83 A273 N300 P301F80-K303 HydrophobicContact CB-CD 4.4Å; P81-K303 CarbonylContact C-O 3.59Å; P81-K303 VanDerWaalsContact CB-O 3.26Å; P81-K303 WeakPolarHBondContact CB-O 3.43Å; P81-K303 CarbonylContact O-C 3.51Å; P81-K303 WeakPolarHBondContact O-CA 3.49Å; A83-K303 WeakPolarHBondContact CB-O 3.39Å; A83-K303 PolarHBondContact N-O 3.47Å; A273-K303 HydrophobicContact CB-CD 4.2Å; A273-K303 WeakPolarHBondContact O-CD 3.34Å; N300-K303 HydrophobicContact CB-CB 3.91Å; N300-K303 HydrophobicContact CB-CD 4.07Å; N300-K303 HydrophobicContact CB-CG 3.72Å; N300-K303 PolarHBondContact O-N 3Å; P301-K303 PolarHBondContact O-N 3.31Å
304W98.5Very high98.6Very high1 Ų112.4 Ų12.40%0.0046%0.058CC..Hα-helixtrans-140.19.3-166.4-152.620.7000115.1P81 Y274 A278 I378 H381 I382 L406P81-W304 HydrophobicContact CG-CG 4.46Å; Y274-W304 HydrophobicContact CD2-CB 4.36Å; Y274-W304 HydrophobicContact CD2-CD2 4.36Å; Y274-W304 HydrophobicContact CD2-CE3 4.18Å; Y274-W304 HydrophobicContact CD2-CG 4.48Å; Y274-W304 HydrophobicContact CE1-CE3 4.39Å; Y274-W304 HydrophobicContact CE1-CZ3 4.24Å; Y274-W304 HydrophobicContact CE2-CB 4.25Å; Y274-W304 AromaticContact CE2-CD2 3.56Å; Y274-W304 HydrophobicContact CE2-CD2 3.56Å; Y274-W304 AromaticContact CE2-CE3 3.56Å; Y274-W304 HydrophobicContact CE2-CE3 3.56Å; Y274-W304 AromaticContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CZ3 4.13Å; Y274-W304 AromaticContact CZ-CD2 3.95Å; Y274-W304 AromaticContact CZ-CE3 3.68Å; Y274-W304 AromaticContact CZ-CZ3 3.74Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.3Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.28Å; A278-W304 HydrophobicContact CB-CZ3 3.96Å; W304-I378 HydrophobicContact CB-CD1 4.36Å; W304-I378 HydrophobicContact CD2-CD1 3.43Å; W304-I378 VanDerWaalsContact CD2-CD1 3.43Å; W304-I378 HydrophobicContact CE3-CD1 3.7Å; W304-I378 HydrophobicContact CG-CD1 3.74Å; W304-I378 HydrophobicContact CH2-CD1 4.41Å; W304-I378 HydrophobicContact CH2-CG2 4.04Å; W304-I378 HydrophobicContact CZ2-CD1 4.2Å; W304-I378 HydrophobicContact CZ2-CG2 4.35Å; W304-I378 HydrophobicContact CZ3-CD1 4.18Å; W304-I378 HydrophobicContact CZ3-CG2 4.3Å; W304-I378 WeakPolarHBondContact O-CD1 3.39Å; W304-H381 AromaticContact CD1-ND1 3.86Å; W304-H381 HydrophobicContact CZ2-CB 3.61Å; W304-H381 AromaticContact NE1-CE1 3.89Å; W304-H381 AromaticContact NE1-CG 3.51Å; W304-H381 AromaticContact NE1-ND1 3.05Å; W304-H381 PolarHBondContact NE1-ND1 2.87Å; W304-I382 HydrophobicContact CH2-CD1 3.98Å; W304-I382 HydrophobicContact CH2-CG1 3.75Å; W304-I382 HydrophobicContact CZ2-CG1 4.15Å; W304-L406 HydrophobicContact CH2-CB 4.04Å; W304-L406 HydrophobicContact CZ3-CB 4.26Å; W304-L406 HydrophobicContact CZ3-CD1 4.12Å
305L98.1Very high98.6Very high1 Ų112.3 Ų12.31%0.0056%0.058CC..SBendtrans-114.627.3-177.9-153.870.7000113.3L122 I280 F299 P301 V307 V365 L374L122-L305 HydrophobicContact CD1-CD2 3.7Å; I280-L305 HydrophobicContact CD1-CD1 3.74Å; I280-L305 HydrophobicContact CG2-CD1 4.31Å; F299-L305 HydrophobicContact CE2-CD2 4.33Å; P301-L305 HydrophobicContact CB-CB 4.12Å; P301-L305 HydrophobicContact CB-CD2 4.29Å; P301-L305 CarbonylContact O-C 3.56Å; P301-L305 WeakPolarHBondContact O-CA 3.19Å; P301-L305 WeakPolarHBondContact O-CB 3.44Å; P301-L305 PolarHBondContact O-N 3.47Å; L305-V307 PolarHBondContact O-N 3.02Å; L305-V365 WeakPolarHBondContact O-CG1 3.4Å; L305-L374 HydrophobicContact CD1-CB 4.33Å; L305-L374 HydrophobicContact CD1-CD1 4.29Å; L305-L374 HydrophobicContact CD1-CD2 4.45Å; L305-L374 HydrophobicContact CG-CD1 4.37Å; L305-L374 HydrophobicContact CG-CD2 4.49Å
306L98.4Very high98.6Very high4 Ų411.1 Ų11.12%0.0215%0.051CC..SBendtrans60.614.5173.3-59.3-175.5000116.4A83 S85 V365 Y369 L374 H377 R453A83-L306 VanDerWaalsContact CB-N 3.32Å; S85-L306 VanDerWaalsContact CB-O 3.3Å; S85-L306 WeakPolarHBondContact CB-O 3.37Å; S85-L306 PolarHBondContact N-O 2.97Å; S85-L306 PolarHBondContact OG-O 3.01Å; L306-V365 HydrophobicContact CB-CG1 4.29Å; L306-Y369 HydrophobicContact CB-CE2 4.33Å; L306-Y369 HydrophobicContact CD1-CD1 4.23Å; L306-Y369 HydrophobicContact CD1-CD2 4.47Å; L306-Y369 HydrophobicContact CD1-CE1 3.81Å; L306-Y369 HydrophobicContact CD1-CE2 4.06Å; L306-L374 HydrophobicContact CB-CD2 4.41Å; L306-L374 HydrophobicContact CD1-CD2 4.21Å; L306-L374 HydrophobicContact CG-CD2 4.47Å; L306-H377 HydrophobicContact CD1-CB 4.44Å; L306-H377 WeakPolarHBondContact CD2-NE2 3.49Å; L306-R453 HydrophobicContact CD2-CB 4.01Å; L306-R453 HydrophobicContact CD2-CG 3.9Å
307V98.6Very high98.5Very high0 Ų013.9 Ų13.90%06%0.063CC..PPolyproline II helixtrans-91.3134.6169.9-1760000108.4A83 P301 H302 L305 C311 K361 L362 V365A83-V307 CarbonylContact C-O 3.59Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 3.91Å; H302-V307 WeakPolarHBondContact CA-O 3.27Å; L305-V307 PolarHBondContact O-N 3.02Å; V307-C311 HydrophobicContact CG1-CB 3.68Å; V307-K361 HydrophobicContact CG1-CB 4.44Å; V307-K361 HydrophobicContact CG1-CD 3.59Å; V307-K361 HydrophobicContact CG1-CG 3.82Å; V307-L362 HydrophobicContact CG2-CD1 3.92Å; V307-V365 HydrophobicContact CG2-CB 4.05Å; V307-V365 HydrophobicContact CG2-CG1 4.06Å; V307-V365 HydrophobicContact CG2-CG2 4.02Å
308N97.9Very high98.3Very high21 Ų2118.6 Ų18.611%0.1128%0.084CC..PPolyproline II helixtrans-76.6151.117866.2-66.6000112.4A83 A88 D92 K361A83-N308 VanDerWaalsContact O-CA 3.29Å; A83-N308 WeakPolarHBondContact O-CA 3.36Å; A88-N308 WeakPolarHBondContact CB-OD1 3.27Å; D92-N308 PolarHBondContact OD2-ND2 3.47Å; D92-N308 PolarHBondContact OD2-OD1 3.07Å; N308-K361 WeakPolarHBondContact O-CE 3.42Å; N308-K361 PolarHBondContact O-NZ 3.29Å; N308-K361 WeakPolarHBondContact OD1-CD 3.31Å
309F97.9Very high98.1Very high130 Ų13022.7 Ų22.757%0.5710%0.099SC*.SBendtrans-59.9140.3177.4-177.7-89.2000111.9H302H302-F309 HydrophobicContact CB-CB 4.34Å; H302-F309 AromaticContact CD2-CD2 3.73Å; H302-F309 AromaticContact CE1-CD2 3.97Å; H302-F309 AromaticContact CG-CD2 3.9Å; H302-F309 AromaticContact NE2-CD2 3.81Å
310D97.9Very high97.8Very high18 Ų1825 Ų2510%0.09612%0.116CC..SBendcis-89.5151.6-2.1802.7000112.3G146 R356 R358 K361G146-D310 WeakPolarHBondContact CA-OD2 3.44Å; G146-D310 WeakPolarHBondContact O-CB 3.4Å; D310-R356 VanDerWaalsContact CG-CZ 3.46Å; D310-R356 PolarHBondContact O-NH2 3.31Å; D310-R356 IonicContact OD1-CZ 3.97Å; D310-R356 IonicContact OD1-NE 3.69Å; D310-R356 PolarHBondContact OD1-NE 2.78Å; D310-R356 IonicContact OD1-NH1 3.26Å; D310-R356 PolarHBondContact OD1-NH1 3.23Å; D310-R356 VanDerWaalsContact OD1-NH1 3.08Å; D310-R356 IonicContact OD1-NH2 2.86Å; D310-R356 PolarHBondContact OD1-NH2 3.07Å; D310-R356 IonicContact OD2-CZ 3.39Å; D310-R356 IonicContact OD2-NE 2.69Å; D310-R356 IonicContact OD2-NH1 3.17Å; D310-R358 VanDerWaalsContact CG-NE 3.34Å; D310-R358 WeakPolarHBondContact OD1-CD 3.25Å; D310-R358 IonicContact OD1-CZ 3.18Å; D310-R358 IonicContact OD1-NE 3.52Å; D310-R358 PolarHBondContact OD1-NE 3.04Å; D310-R358 IonicContact OD1-NH2 3.01Å; D310-R358 IonicContact OD2-CZ 3.93Å; D310-R358 IonicContact OD2-NE 3.79Å; D310-R358 PolarHBondContact OD2-NE 3.44Å; D310-R358 VanDerWaalsContact OD2-NE 3.17Å; D310-R358 IonicContact OD2-NH2 3.28Å; D310-R358 PolarHBondContact OD2-NH2 3.44Å; D310-K361 WeakPolarHBondContact O-CE 3.32Å; D310-K361 PolarHBondContact O-NZ 2.89Å
311C98.7Very high97.7Very high0 Ų025.6 Ų25.60%012%0.119CC..  trans-178.588.9172.5-175.80000110P301 H302 V307P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.46Å; H302-C311 HydrophobicContact CB-CB 4.27Å; H302-C311 PolarHBondContact N-O 3.03Å; H302-C311 PolarHBondContact ND1-N 3.45Å; H302-C311 VanDerWaalsContact ND1-N 3.13Å; H302-C311 PolarHBondContact ND1-O 3.03Å; V307-C311 HydrophobicContact CG1-CB 3.68Å
312S98.7Very high97.4Very high0 Ų025.6 Ų25.60%012%0.119CC..EExtended strand (participates in β ladder)trans-110.7118.3177.4177.50000109.5I144 Q145 S147 A148 N300I144-S312 CarbonylContact C-O 3.34Å; I144-S312 WeakPolarHBondContact CA-O 3.45Å; Q145-S312 PolarHBondContact N-O 3.47Å; Q145-S312 PolarHBondContact O-N 2.88Å; S147-S312 PolarHBondContact O-OG 2.99Å; A148-S312 PolarHBondContact N-OG 3Å; N300-S312 PolarHBondContact OD1-OG 3.39Å; N300-S312 VanDerWaalsContact OD1-OG 3.04Å
313A98.8Very high97.2Very high0 Ų026.9 Ų26.90%013%0.127CC..EExtended strand (participates in β ladder)trans-90.6127.7-179.700000109.8L119 L122 N298 F299 P301 W315L119-A313 HydrophobicContact CD2-CB 3.81Å; L122-A313 HydrophobicContact CD2-CB 3.99Å; N298-A313 CarbonylContact C-O 3.47Å; N298-A313 WeakPolarHBondContact CA-O 3.18Å; N298-A313 WeakPolarHBondContact CB-O 3.32Å; F299-A313 PolarHBondContact N-O 3.15Å; F299-A313 PolarHBondContact O-N 2.89Å; P301-A313 HydrophobicContact CG-CB 4.24Å; A313-W315 HydrophobicContact CB-CE3 4.32Å; A313-W315 HydrophobicContact CB-CH2 3.3Å; A313-W315 HydrophobicContact CB-CZ2 4.18Å; A313-W315 HydrophobicContact CB-CZ3 3.38Å
314M98.8Very high96.8Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-125.3133.4177.5175.4-176.7170.700109.1G142 V143 Q145 A151 M154 S155 F297 N298 V316 L322G142-M314 CarbonylContact C-O 3.5Å; G142-M314 VanDerWaalsContact CA-O 3.23Å; G142-M314 WeakPolarHBondContact CA-O 3.47Å; V143-M314 HydrophobicContact CG1-CB 4.25Å; V143-M314 PolarHBondContact N-O 3.09Å; V143-M314 PolarHBondContact O-N 3.05Å; Q145-M314 HydrophobicContact CG-CB 4.16Å; Q145-M314 HydrophobicContact CG-SD 4.35Å; A151-M314 VanDerWaalsContact CA-SD 3.59Å; A151-M314 HydrophobicContact CB-CB 3.89Å; A151-M314 HydrophobicContact CB-CG 4.02Å; A151-M314 HydrophobicContact CB-SD 3.69Å; M154-M314 HydrophobicContact CB-CE 4.18Å; M154-M314 HydrophobicContact CB-SD 4.15Å; S155-M314 WeakPolarHBondContact OG-CE 3.4Å; F297-M314 CarbonylContact O-C 3.56Å; F297-M314 WeakPolarHBondContact O-CA 3.33Å; N298-M314 HydrophobicContact CB-CB 4.33Å; M314-V316 HydrophobicContact CE-CG1 3.64Å; M314-L322 HydrophobicContact CE-CD1 4.49Å; M314-L322 HydrophobicContact CE-CD2 4.2Å
315W98.9Very high96.5Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-116.5148.4171.8-65.7-100.3000110.6L119 L122 L128 F132 G141 G142 S296 F297 F299 A313L119-W315 HydrophobicContact CB-CZ2 4.41Å; L119-W315 HydrophobicContact CD2-CH2 4.36Å; L119-W315 HydrophobicContact CD2-CZ2 3.94Å; L119-W315 WeakPolarHBondContact O-CZ2 3.42Å; L119-W315 PolarHBondContact O-NE1 2.87Å; L122-W315 HydrophobicContact CB-CH2 4.34Å; L122-W315 HydrophobicContact CB-CZ2 4.03Å; L122-W315 HydrophobicContact CD2-CH2 3.68Å; L122-W315 HydrophobicContact CD2-CZ2 4.12Å; L122-W315 HydrophobicContact CG-CH2 3.87Å; L122-W315 HydrophobicContact CG-CZ2 4.08Å; L128-W315 HydrophobicContact CD1-CB 4.27Å; L128-W315 HydrophobicContact CD1-CD2 3.63Å; L128-W315 HydrophobicContact CD1-CE3 3.96Å; L128-W315 HydrophobicContact CD1-CG 3.78Å; F132-W315 HydrophobicContact CB-CB 4.06Å; F132-W315 HydrophobicContact CB-CG 4.41Å; F132-W315 HydrophobicContact CD1-CB 3.65Å; F132-W315 HydrophobicContact CE1-CB 4.5Å; F132-W315 HydrophobicContact CG-CB 4.2Å; G141-W315 WeakPolarHBondContact O-CA 2.84Å; G142-W315 VanDerWaalsContact CA-CD1 3.45Å; S296-W315 CarbonylContact C-O 3.51Å; S296-W315 WeakPolarHBondContact CA-O 3.26Å; S296-W315 WeakPolarHBondContact CB-O 3.31Å; F297-W315 AromaticContact CD1-CE3 3.84Å; F297-W315 HydrophobicContact CD1-CE3 3.84Å; F297-W315 HydrophobicContact CD1-CZ3 4.18Å; F297-W315 HydrophobicContact CE1-CE3 4.4Å; F297-W315 HydrophobicContact CE1-CZ3 4.3Å; F297-W315 PolarHBondContact N-O 2.87Å; F297-W315 PolarHBondContact O-N 2.97Å; F299-W315 HydrophobicContact CD1-CH2 4.02Å; F299-W315 AromaticContact CD1-CZ3 3.64Å; F299-W315 HydrophobicContact CD1-CZ3 3.64Å; F299-W315 AromaticContact CE1-CH2 3.46Å; F299-W315 HydrophobicContact CE1-CH2 3.46Å; F299-W315 VanDerWaalsContact CE1-CH2 3.46Å; F299-W315 AromaticContact CE1-CZ3 3.6Å; F299-W315 HydrophobicContact CE1-CZ3 3.6Å; F299-W315 HydrophobicContact CZ-CH2 4.44Å; A313-W315 HydrophobicContact CB-CE3 4.32Å; A313-W315 HydrophobicContact CB-CH2 3.3Å; A313-W315 HydrophobicContact CB-CZ2 4.18Å; A313-W315 HydrophobicContact CB-CZ3 3.38Å
316V98.5Very high96.3Very high1 Ų129.7 Ų29.71%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-125.8141.5170.2-64.50000109.8F132 G140 G141 D295 M314 K318 L322 W349F132-V316 VanDerWaalsContact CD1-C 3.48Å; G140-V316 WeakPolarHBondContact CA-O 3.45Å; G141-V316 PolarHBondContact N-O 2.85Å; G141-V316 PolarHBondContact O-N 3.37Å; D295-V316 WeakPolarHBondContact O-CA 3.38Å; M314-V316 HydrophobicContact CE-CG1 3.64Å; V316-K318 PolarHBondContact O-N 2.92Å; V316-L322 HydrophobicContact CB-CD1 4.34Å; V316-L322 HydrophobicContact CG1-CD1 3.64Å; V316-L322 HydrophobicContact CG1-CD2 4.22Å; V316-L322 HydrophobicContact CG1-CG 3.85Å; V316-L322 HydrophobicContact CG2-CD1 3.75Å; V316-L322 HydrophobicContact CG2-CG 4.15Å; V316-W349 HydrophobicContact CG2-CE3 4.25Å; V316-W349 HydrophobicContact CG2-CH2 4.35Å; V316-W349 HydrophobicContact CG2-CZ3 3.72Å
317K97.1Very high95.9Very high58 Ų5835.6 Ų35.625%0.25218%0.177SC..SBendtrans-69.2-25.8178.8-160.1169.6-166175.50111.9E131 F132 G140 E292 D295E131-K317 HydrophobicContact CB-CD 4.3Å; E131-K317 HydrophobicContact CB-CG 3.66Å; E131-K317 WeakPolarHBondContact OE1-CE 3.32Å; E131-K317 IonicContact OE1-NZ 3.46Å; E131-K317 PolarHBondContact OE1-NZ 3.41Å; F132-K317 HydrophobicContact CD1-CB 4.3Å; F132-K317 HydrophobicContact CE1-CB 3.9Å; F132-K317 HydrophobicContact CZ-CB 4.15Å; G140-K317 WeakPolarHBondContact CA-O 3.4Å; G140-K317 PolarHBondContact N-O 2.59Å; E292-K317 PolarHBondContact O-NZ 2.78Å; D295-K317 PolarHBondContact O-N 2.98Å
318K95.6Very high95.2Very high99 Ų9942.2 Ų42.243%0.4321%0.211SC..  trans-141.6104.8-179.2-163.2-177.1176.3-143.60111.9R139 V316 S320 D321R139-K318 CarbonylContact O-C 3.19Å; R139-K318 WeakPolarHBondContact O-CA 3.27Å; V316-K318 PolarHBondContact O-N 2.92Å; K318-S320 WeakPolarHBondContact CD-OG 3.48Å; K318-S320 WeakPolarHBondContact CE-OG 3.29Å; K318-S320 WeakPolarHBondContact CG-OG 3.11Å; K318-S320 PolarHBondContact NZ-OG 3.36Å; K318-S320 PolarHBondContact O-N 3.34Å; K318-S320 VanDerWaalsContact O-N 3.16Å; K318-D321 WeakPolarHBondContact CD-OD1 3.32Å; K318-D321 IonicContact NZ-OD1 2.73Å; K318-D321 PolarHBondContact NZ-OD1 3.32Å; K318-D321 WeakPolarHBondContact O-CB 3.36Å; K318-D321 PolarHBondContact O-N 2.86Å
319R93.5Very high94.7Very high87 Ų8743.3 Ų43.333%0.32822%0.218SC..Hα-helixtrans-58.4-30.1-178.368.2-167.5178.9167.20.2114.5R139 D321 L322 T323 G341 W349R139-R319 VanDerWaalsContact O-CG 3.29Å; R139-R319 WeakPolarHBondContact O-CG 3.45Å; R139-R319 PolarHBondContact O-N 2.92Å; R319-D321 PolarHBondContact O-N 3.22Å; R319-L322 PolarHBondContact O-N 3.21Å; R319-T323 PolarHBondContact O-N 2.98Å; R319-T323 PolarHBondContact O-OG1 3.49Å; R319-G341 PolarHBondContact NH2-O 2.94Å; R319-W349 HydrophobicContact CB-CH2 3.33Å; R319-W349 HydrophobicContact CB-CZ2 3.21Å; R319-W349 HydrophobicContact CB-CZ3 4.28Å; R319-W349 HydrophobicContact CG-CH2 4.46Å; R319-W349 HydrophobicContact CG-CZ2 4.13Å
320S93.8Very high94.3Very high49 Ų4939.1 Ų39.134%0.34320%0.203SC..Hα-helixtrans-62.4-22.9177.767.70000113.2K318 T323 G324K318-S320 WeakPolarHBondContact CD-OG 3.48Å; K318-S320 WeakPolarHBondContact CE-OG 3.29Å; K318-S320 WeakPolarHBondContact CG-OG 3.11Å; K318-S320 PolarHBondContact NZ-OG 3.36Å; K318-S320 PolarHBondContact O-N 3.34Å; K318-S320 VanDerWaalsContact O-N 3.16Å; S320-T323 WeakPolarHBondContact CA-OG1 3.33Å; S320-G324 WeakPolarHBondContact O-CA 3.42Å; S320-G324 PolarHBondContact O-N 3.42Å
321D95.2Very high94Very high18 Ų1845 Ų4510%0.09623%0.234CC..Hα-helixtrans-76.6-33.9-178.8-64.7-1.3000110.5K162 W267 K318 R319K162-D321 WeakPolarHBondContact CE-OD2 3.46Å; K162-D321 IonicContact NZ-OD2 3.97Å; K162-D321 PolarHBondContact NZ-OD2 3.48Å; W267-D321 HydrophobicContact CH2-CB 3.88Å; W267-D321 HydrophobicContact CZ3-CB 3.77Å; K318-D321 WeakPolarHBondContact CD-OD1 3.32Å; K318-D321 IonicContact NZ-OD1 2.73Å; K318-D321 PolarHBondContact NZ-OD1 3.32Å; K318-D321 WeakPolarHBondContact O-CB 3.36Å; K318-D321 PolarHBondContact O-N 2.86Å; R319-D321 PolarHBondContact O-N 3.22Å
322L94.3Very high93.6Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-71.2-55.7168.2-69.3-177.6000111.2M154 A158 M314 V316 R319 G324 A325 F326 W349M154-L322 HydrophobicContact CE-CD2 4.44Å; A158-L322 HydrophobicContact CB-CD2 3.8Å; M314-L322 HydrophobicContact CE-CD1 4.49Å; M314-L322 HydrophobicContact CE-CD2 4.2Å; V316-L322 HydrophobicContact CB-CD1 4.34Å; V316-L322 HydrophobicContact CG1-CD1 3.64Å; V316-L322 HydrophobicContact CG1-CD2 4.22Å; V316-L322 HydrophobicContact CG1-CG 3.85Å; V316-L322 HydrophobicContact CG2-CD1 3.75Å; V316-L322 HydrophobicContact CG2-CG 4.15Å; R319-L322 PolarHBondContact O-N 3.21Å; L322-G324 PolarHBondContact O-N 3Å; L322-A325 WeakPolarHBondContact O-CA 3.19Å; L322-A325 WeakPolarHBondContact O-CB 3.39Å; L322-A325 PolarHBondContact O-N 3.29Å; L322-F326 HydrophobicContact CD2-CE2 4.26Å; L322-F326 WeakPolarHBondContact O-CD2 3.39Å; L322-F326 PolarHBondContact O-N 2.97Å; L322-F326 VanDerWaalsContact O-N 3.08Å; L322-W349 HydrophobicContact CD1-CB 4.09Å; L322-W349 HydrophobicContact CD1-CD2 3.86Å; L322-W349 HydrophobicContact CD1-CE3 3.52Å; L322-W349 HydrophobicContact CD1-CG 4.11Å; L322-W349 HydrophobicContact CD1-CZ3 4.32Å
323T93Very high93.2Very high39 Ų3954.7 Ų54.724%0.23927%0.273CS..Hα-helixtrans-63.1-32.8-17661.80000111.6R319 S320 A325 F326 K327 H348R319-T323 PolarHBondContact O-N 2.98Å; R319-T323 PolarHBondContact O-OG1 3.49Å; S320-T323 WeakPolarHBondContact CA-OG1 3.33Å; T323-A325 PolarHBondContact O-N 3.23Å; T323-F326 PolarHBondContact O-N 3.17Å; T323-K327 WeakPolarHBondContact O-CB 3.42Å; T323-K327 PolarHBondContact O-N 3.47Å; T323-H348 HydrophobicContact CG2-CB 3.92Å
324G90.6Very high92.7Very high25 Ų2559.3 Ų59.326%0.25829%0.294SS..Hα-helixtrans-60.8-27.9172.600000113.4R165 S320 L322R165-G324 PolarHBondContact NH1-O 3.16Å; R165-G324 PolarHBondContact NH2-O 3.38Å; S320-G324 WeakPolarHBondContact O-CA 3.42Å; S320-G324 PolarHBondContact O-N 3.42Å; L322-G324 PolarHBondContact O-N 3Å
325A92.3Very high92.2Very high26 Ų2660.5 Ų60.522%0.21530%0.3CS..Hα-helixtrans-89.3-32.2178.200000113.5A158 T161 L322 T323A158-A325 HydrophobicContact CB-CB 4.45Å; T161-A325 HydrophobicContact CG2-CB 4.17Å; L322-A325 WeakPolarHBondContact O-CA 3.19Å; L322-A325 WeakPolarHBondContact O-CB 3.39Å; L322-A325 PolarHBondContact O-N 3.29Å; T323-A325 PolarHBondContact O-N 3.23Å
326F93Very high91.5Very high48 Ų4869.8 Ų69.821%0.21134%0.343CS..Hα-helixtrans-122.60.3-166.6-55.9-71.8000115.7M154 L157 A158 L322 T323 L328M154-F326 HydrophobicContact CE-CD1 4.33Å; M154-F326 HydrophobicContact CE-CD2 3.38Å; M154-F326 HydrophobicContact CE-CE1 4.08Å; M154-F326 HydrophobicContact CE-CE2 3.11Å; M154-F326 HydrophobicContact CE-CG 4Å; M154-F326 HydrophobicContact CE-CZ 3.46Å; M154-F326 VanDerWaalsContact CE-CZ 3.46Å; M154-F326 HydrophobicContact SD-CE1 4.12Å; M154-F326 HydrophobicContact SD-CE2 4.02Å; M154-F326 HydrophobicContact SD-CZ 3.71Å; L157-F326 HydrophobicContact CB-CE1 4.08Å; L157-F326 HydrophobicContact CB-CZ 3.53Å; L157-F326 HydrophobicContact CD1-CE1 3.95Å; L157-F326 HydrophobicContact CD1-CZ 4.02Å; L157-F326 HydrophobicContact CG-CZ 4.45Å; A158-F326 HydrophobicContact CB-CE2 4.43Å; L322-F326 HydrophobicContact CD2-CE2 4.26Å; L322-F326 WeakPolarHBondContact O-CD2 3.39Å; L322-F326 PolarHBondContact O-N 2.97Å; L322-F326 VanDerWaalsContact O-N 3.08Å; T323-F326 PolarHBondContact O-N 3.17Å; F326-L328 PolarHBondContact O-N 2.94Å
327K90.1Very high90.7Very high129 Ų12974 Ų7456%0.56136%0.363SS*.  trans-64.9113.7-179.1-173.5176.4-178-178.20111.2T323T323-K327 WeakPolarHBondContact O-CB 3.42Å; T323-K327 PolarHBondContact O-N 3.47Å
328L85.6Confident89.7Confident138 Ų13873.4 Ų73.472%0.72336%0.361SS*.  trans-129.8120.4167.9-66.5174.8000108.2F326 P330 H348F326-L328 PolarHBondContact O-N 2.94Å; L328-P330 VanDerWaalsContact C-CD 3.48Å; L328-P330 WeakPolarHBondContact O-CD 3.24Å; L328-H348 PolarHBondContact O-CE1 3.17Å; L328-H348 VanDerWaalsContact O-CE1 3.31Å
329D86.3Confident88.4Confident45 Ų4578 Ų7824%0.24138%0.384CS..  trans-130.963.1-166.4-157.814.9000112.5Q334 Q338 R347D329-Q334 PolarHBondContact O-NE2 3.17Å; D329-Q334 VanDerWaalsContact O-NE2 3.08Å; D329-Q334 WeakPolarHBondContact OD1-CG 3.49Å; D329-Q338 PolarHBondContact OD1-NE2 3.4Å; D329-Q338 VanDerWaalsContact OD1-NE2 3.08Å; D329-R347 IonicContact OD1-CZ 3.65Å; D329-R347 IonicContact OD1-NH2 2.61Å; D329-R347 PolarHBondContact OD1-NH2 3.45Å
330P90.4Very high87.3Confident41 Ų4176.5 Ų76.527%0.26639%0.386SS..  trans-64152176.930.5-36.2000110.9L328 Y332 L333L328-P330 VanDerWaalsContact C-CD 3.48Å; L328-P330 WeakPolarHBondContact O-CD 3.24Å; P330-Y332 HydrophobicContact CB-CD1 3.96Å; P330-Y332 HydrophobicContact CB-CE1 3.49Å; P330-Y332 VanDerWaalsContact CB-CE1 3.49Å; P330-Y332 HydrophobicContact CG-CD1 4.33Å; P330-Y332 HydrophobicContact CG-CD2 4.45Å; P330-Y332 HydrophobicContact CG-CE1 3.73Å; P330-Y332 HydrophobicContact CG-CE2 3.86Å; P330-Y332 VanDerWaalsContact CG-CZ 3.45Å; P330-Y332 PolarHBondContact O-N 3.04Å; P330-L333 HydrophobicContact CG-CB 4.17Å; P330-L333 HydrophobicContact CG-CD1 3.74Å; P330-L333 HydrophobicContact CG-CG 3.9Å; P330-L333 PolarHBondContact O-N 2.8Å
331L91.6Very high86Confident142 Ų14276.3 Ų76.374%0.74339%0.392SS*.G310 helixtrans-51.1-37.5-172.6-175.763.3000114.1L333 Q334L331-L333 PolarHBondContact O-N 3.27Å; L331-Q334 PolarHBondContact O-N 3.13Å
332Y89.1Confident84.7Confident186 Ų18682.7 Ų82.773%0.72943%0.426SS*.G310 helixtrans-72.5-6.1-179.361.2-99.2000114.5P330P330-Y332 HydrophobicContact CB-CD1 3.96Å; P330-Y332 HydrophobicContact CB-CE1 3.49Å; P330-Y332 VanDerWaalsContact CB-CE1 3.49Å; P330-Y332 HydrophobicContact CG-CD1 4.33Å; P330-Y332 HydrophobicContact CG-CD2 4.45Å; P330-Y332 HydrophobicContact CG-CE1 3.73Å; P330-Y332 HydrophobicContact CG-CE2 3.86Å; P330-Y332 VanDerWaalsContact CG-CZ 3.45Å; P330-Y332 PolarHBondContact O-N 3.04Å
333L90.9Very high83.9Confident17 Ų1783.9 Ų83.99%0.08943%0.433CS..G310 helixtrans-109.2-2.9176.4-69.1-173000113.1F103 P330 L331 Q338 R347 L353F103-L333 HydrophobicContact CD2-CD2 3.97Å; F103-L333 HydrophobicContact CE2-CD2 3.75Å; F103-L333 HydrophobicContact CZ-CD2 4.45Å; P330-L333 HydrophobicContact CG-CB 4.17Å; P330-L333 HydrophobicContact CG-CD1 3.74Å; P330-L333 HydrophobicContact CG-CG 3.9Å; P330-L333 PolarHBondContact O-N 2.8Å; L331-L333 PolarHBondContact O-N 3.27Å; L333-Q338 PolarHBondContact O-NE2 3.28Å; L333-R347 PolarHBondContact O-NH1 2.79Å; L333-R347 PolarHBondContact O-NH2 3.1Å; L333-L353 HydrophobicContact CD1-CD1 3.63Å; L333-L353 HydrophobicContact CD1-CD2 4.19Å; L333-L353 HydrophobicContact CD2-CD1 4.36Å; L333-L353 HydrophobicContact CD2-CD2 4.29Å
334Q88.9Confident83.3Confident97 Ų9782.9 Ų82.945%0.45343%0.427SS..  trans-78.6151-177.5-68.1178.62.500112.1D329 L331 Q338D329-Q334 PolarHBondContact O-NE2 3.17Å; D329-Q334 VanDerWaalsContact O-NE2 3.08Å; D329-Q334 WeakPolarHBondContact OD1-CG 3.49Å; L331-Q334 PolarHBondContact O-N 3.13Å; Q334-Q338 VanDerWaalsContact CA-OE1 3.22Å
335H86.7Confident83.3Confident26 Ų2682.4 Ų82.412%0.1242%0.418CS..  trans-153.3156.8174.864.388.7000112.2A106 H337 Q338 D345A106-H335 HydrophobicContact CB-CB 3.76Å; H335-H337 PolarHBondContact ND1-N 3.45Å; H335-H337 PolarHBondContact O-N 2.9Å; H335-Q338 VanDerWaalsContact CD2-CG 3.45Å; H335-Q338 WeakPolarHBondContact CD2-CG 3.36Å; H335-Q338 VanDerWaalsContact CE1-CG 3.48Å; H335-Q338 WeakPolarHBondContact CE1-CG 3.21Å; H335-Q338 VanDerWaalsContact N-OE1 3.07Å; H335-Q338 VanDerWaalsContact NE2-CG 3.31Å; H335-Q338 WeakPolarHBondContact NE2-CG 3.44Å; H335-Q338 WeakPolarHBondContact O-CG 3.41Å; H335-Q338 PolarHBondContact O-N 2.99Å; H335-Q338 VanDerWaalsContact O-N 3.11Å; H335-D345 IonicContact NE2-OD1 3.84Å; H335-D345 PolarHBondContact NE2-OD1 3.1Å; H335-D345 IonicContact NE2-OD2 3.36Å; H335-D345 PolarHBondContact NE2-OD2 3.08Å
336H85Confident83.4Confident195 Ų19581.3 Ų81.390%0.90341%0.408SS*.THydrogen-bonded Turntrans-61.8-11-171.7-56-61.9000116
337H82.2Confident83.4Confident90 Ų9079.6 Ų79.642%0.41740%0.401SS..THydrogen-bonded Turntrans-99.7-4.6-179.3-61.3-77.8000114W105 H335 E339 S340 V343W105-H337 HydrophobicContact CE3-CB 4.48Å; W105-H337 AromaticContact CE3-CD2 4Å; W105-H337 AromaticContact CZ3-CD2 3.39Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.42Å; W105-H337 AromaticContact CZ3-NE2 3.8Å; H335-H337 PolarHBondContact ND1-N 3.45Å; H335-H337 PolarHBondContact O-N 2.9Å; H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.03Å; H337-S340 WeakPolarHBondContact O-CB 3.39Å; H337-S340 PolarHBondContact O-N 2.87Å; H337-S340 PolarHBondContact O-OG 3.11Å; H337-V343 HydrophobicContact CB-CG2 3.95Å
338Q75.1Confident83.5Confident45 Ų4574.1 Ų74.121%0.2138%0.377CS..G310 helixtrans-62.9-37.8-175.7-70.6178.7-49.600113.3D329 L333 Q334 H335 S340 D345D329-Q338 PolarHBondContact OD1-NE2 3.4Å; D329-Q338 VanDerWaalsContact OD1-NE2 3.08Å; L333-Q338 PolarHBondContact O-NE2 3.28Å; Q334-Q338 VanDerWaalsContact CA-OE1 3.22Å; H335-Q338 VanDerWaalsContact CD2-CG 3.45Å; H335-Q338 WeakPolarHBondContact CD2-CG 3.36Å; H335-Q338 VanDerWaalsContact CE1-CG 3.48Å; H335-Q338 WeakPolarHBondContact CE1-CG 3.21Å; H335-Q338 VanDerWaalsContact N-OE1 3.07Å; H335-Q338 VanDerWaalsContact NE2-CG 3.31Å; H335-Q338 WeakPolarHBondContact NE2-CG 3.44Å; H335-Q338 WeakPolarHBondContact O-CG 3.41Å; H335-Q338 PolarHBondContact O-N 2.99Å; H335-Q338 VanDerWaalsContact O-N 3.11Å; Q338-S340 VanDerWaalsContact C-N 3.31Å; Q338-D345 PolarHBondContact NE2-OD2 3.49Å
339E69.8Low84Confident196 Ų19667.9 Ų67.992%0.91634%0.344SS*.G310 helixtrans-84.5-5.4-178.1-60.8-170.1162.400113.3H337 G341H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.03Å; E339-G341 PolarHBondContact O-N 3.29Å
340S68.8Low84.5Confident54 Ų5466 Ų6638%0.37833%0.334SS..G310 helixtrans-66-19.8-178.869.10000113.3H337 Q338 L342H337-S340 WeakPolarHBondContact O-CB 3.39Å; H337-S340 PolarHBondContact O-N 2.87Å; H337-S340 PolarHBondContact O-OG 3.11Å; Q338-S340 VanDerWaalsContact C-N 3.31Å; S340-L342 PolarHBondContact O-N 3.27Å; S340-L342 PolarHBondContact OG-N 2.95Å
341G67.2Low84.7Confident46 Ų4668.6 Ų68.647%0.47434%0.344SS..SBendtrans69.5-8-173.900000114.8R319 E339R319-G341 PolarHBondContact NH2-O 2.94Å; E339-G341 PolarHBondContact O-N 3.29Å
342L68.4Low85Confident151 Ų15165.2 Ų65.279%0.79133%0.331SS*.SBendtrans-87.6-14.9-179.5-63.1172.9000112.8S340S340-L342 PolarHBondContact O-N 3.27Å; S340-L342 PolarHBondContact OG-N 2.95Å
343V76.9Confident85.3Confident25 Ų2560.1 Ų60.115%0.15232%0.316CS..  trans-110.6138.2-170.4176.30000111.6W105 H337W105-V343 HydrophobicContact CB-CG1 3.14Å; W105-V343 HydrophobicContact CD2-CG1 4.25Å; W105-V343 HydrophobicContact CD2-CG2 4.41Å; W105-V343 HydrophobicContact CG-CG1 3.47Å; W105-V343 VanDerWaalsContact CG-CG1 3.47Å; W105-V343 HydrophobicContact CG-CG2 4.32Å; H337-V343 HydrophobicContact CB-CG2 3.95Å
344T81.2Confident85.4Confident18 Ų1861.1 Ų61.111%0.1133%0.33CS..  trans-103.4110.4175.2-58.50000110.9T112 Y346 W349T112-T344 WeakPolarHBondContact CG2-O 3.41Å; T344-Y346 HydrophobicContact CG2-CD1 3.67Å; T344-Y346 HydrophobicContact CG2-CD2 4.25Å; T344-Y346 HydrophobicContact CG2-CE1 3.53Å; T344-Y346 HydrophobicContact CG2-CE2 4.14Å; T344-Y346 HydrophobicContact CG2-CG 4.04Å; T344-Y346 PolarHBondContact O-N 3.3Å; T344-W349 HydrophobicContact CG2-CZ2 3.9Å
345D89.8Confident85.8Confident15 Ų1556.9 Ų56.98%0.0831%0.31CS..  trans-86.391.3169.3-83.2-18.6000110.2S104 W105 H335 Q338 R347 H348S104-D345 VanDerWaalsContact CA-OD1 3.29Å; S104-D345 WeakPolarHBondContact CA-OD1 3.25Å; S104-D345 WeakPolarHBondContact CB-OD1 3.35Å; W105-D345 PolarHBondContact N-OD1 2.72Å; W105-D345 VanDerWaalsContact N-OD1 3.11Å; H335-D345 IonicContact NE2-OD1 3.84Å; H335-D345 PolarHBondContact NE2-OD1 3.1Å; H335-D345 IonicContact NE2-OD2 3.36Å; H335-D345 PolarHBondContact NE2-OD2 3.08Å; Q338-D345 PolarHBondContact NE2-OD2 3.49Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 3.32Å; D345-R347 VanDerWaalsContact O-N 3.08Å; D345-R347 IonicContact OD2-CZ 3.27Å; D345-R347 IonicContact OD2-NH2 3.04Å; D345-H348 PolarHBondContact O-N 3.24Å
346Y93.7Very high86.3Confident3 Ų359.7 Ų59.71%0.01232%0.32CS..G310 helixtrans-61.7-17.3-175.3-80.1-56.9000114.7T112 E115 T116 G142 V143 T344 H348 W349 Q350T112-Y346 HydrophobicContact CG2-CD2 3.94Å; T112-Y346 HydrophobicContact CG2-CE2 3.94Å; E115-Y346 HydrophobicContact CB-CE2 4.02Å; E115-Y346 HydrophobicContact CG-CE2 4.09Å; T116-Y346 PolarHBondContact OG1-OH 3.17Å; G142-Y346 WeakPolarHBondContact O-CE1 3.27Å; G142-Y346 PolarHBondContact O-OH 2.8Å; V143-Y346 HydrophobicContact CB-CD1 3.8Å; V143-Y346 HydrophobicContact CB-CE1 3.74Å; V143-Y346 HydrophobicContact CG2-CD1 3.51Å; V143-Y346 HydrophobicContact CG2-CE1 3.94Å; V143-Y346 HydrophobicContact CG2-CG 4.2Å; T344-Y346 HydrophobicContact CG2-CD1 3.67Å; T344-Y346 HydrophobicContact CG2-CD2 4.25Å; T344-Y346 HydrophobicContact CG2-CE1 3.53Å; T344-Y346 HydrophobicContact CG2-CE2 4.14Å; T344-Y346 HydrophobicContact CG2-CG 4.04Å; T344-Y346 PolarHBondContact O-N 3.3Å; Y346-H348 PolarHBondContact O-N 2.79Å; Y346-H348 VanDerWaalsContact O-N 3.11Å; Y346-W349 HydrophobicContact CD1-CB 4.21Å; Y346-W349 HydrophobicContact CD1-CD2 4.27Å; Y346-W349 HydrophobicContact CD1-CG 4.12Å; Y346-W349 HydrophobicContact CE1-CD2 4.42Å; Y346-W349 HydrophobicContact CE1-CE3 4.42Å; Y346-W349 WeakPolarHBondContact O-CA 3.23Å; Y346-W349 WeakPolarHBondContact O-CB 3.12Å; Y346-W349 PolarHBondContact O-N 3.03Å; Y346-Q350 WeakPolarHBondContact O-CG 3.38Å
347R93.3Very high86.9Confident13 Ų1351 Ų515%0.04928%0.279CS..G310 helixtrans-55.4-25168.765-179.5-172.3-146.316.4113.6F103 D329 L333 D345 W349 L353F103-R347 WeakPolarHBondContact O-CB 3.4Å; F103-R347 VanDerWaalsContact O-CD 3.3Å; F103-R347 WeakPolarHBondContact O-CD 3.46Å; F103-R347 WeakPolarHBondContact O-CG 3.36Å; D329-R347 IonicContact OD1-CZ 3.65Å; D329-R347 IonicContact OD1-NH2 2.61Å; D329-R347 PolarHBondContact OD1-NH2 3.45Å; L333-R347 PolarHBondContact O-NH1 2.79Å; L333-R347 PolarHBondContact O-NH2 3.1Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 3.32Å; D345-R347 VanDerWaalsContact O-N 3.08Å; D345-R347 IonicContact OD2-CZ 3.27Å; D345-R347 IonicContact OD2-NH2 3.04Å; R347-W349 VanDerWaalsContact C-N 3.27Å; R347-L353 HydrophobicContact CB-CD1 4.02Å
348H93.8Very high87.7Confident13 Ų1348.1 Ų48.16%0.0627%0.265CS..G310 helixtrans-86.82.6177.4-57.9-43.6000113.2T323 L328 D345 Y346T323-H348 HydrophobicContact CG2-CB 3.92Å; L328-H348 PolarHBondContact O-CE1 3.17Å; L328-H348 VanDerWaalsContact O-CE1 3.31Å; D345-H348 PolarHBondContact O-N 3.24Å; Y346-H348 PolarHBondContact O-N 2.79Å; Y346-H348 VanDerWaalsContact O-N 3.11Å
349W96Very high88.8Confident8 Ų846 Ų463%0.0326%0.255CS..G310 helixtrans-120.37.7-176.2-64.556.7000112.1V143 Q145 M154 V316 R319 L322 T344 Y346 R347V143-W349 HydrophobicContact CB-CB 4.28Å; V143-W349 HydrophobicContact CB-CE3 4.14Å; V143-W349 HydrophobicContact CG1-CB 4.24Å; V143-W349 HydrophobicContact CG1-CE3 4.12Å; V143-W349 HydrophobicContact CG2-CB 4.15Å; Q145-W349 PolarHBondContact NE2-O 2.84Å; M154-W349 VanDerWaalsContact CE-C 3.46Å; M154-W349 WeakPolarHBondContact CE-O 3.33Å; V316-W349 HydrophobicContact CG2-CE3 4.25Å; V316-W349 HydrophobicContact CG2-CH2 4.35Å; V316-W349 HydrophobicContact CG2-CZ3 3.72Å; R319-W349 HydrophobicContact CB-CH2 3.33Å; R319-W349 HydrophobicContact CB-CZ2 3.21Å; R319-W349 HydrophobicContact CB-CZ3 4.28Å; R319-W349 HydrophobicContact CG-CH2 4.46Å; R319-W349 HydrophobicContact CG-CZ2 4.13Å; L322-W349 HydrophobicContact CD1-CB 4.09Å; L322-W349 HydrophobicContact CD1-CD2 3.86Å; L322-W349 HydrophobicContact CD1-CE3 3.52Å; L322-W349 HydrophobicContact CD1-CG 4.11Å; L322-W349 HydrophobicContact CD1-CZ3 4.32Å; T344-W349 HydrophobicContact CG2-CZ2 3.9Å; Y346-W349 HydrophobicContact CD1-CB 4.21Å; Y346-W349 HydrophobicContact CD1-CD2 4.27Å; Y346-W349 HydrophobicContact CD1-CG 4.12Å; Y346-W349 HydrophobicContact CE1-CD2 4.42Å; Y346-W349 HydrophobicContact CE1-CE3 4.42Å; Y346-W349 WeakPolarHBondContact O-CA 3.23Å; Y346-W349 WeakPolarHBondContact O-CB 3.12Å; Y346-W349 PolarHBondContact O-N 3.03Å; R347-W349 VanDerWaalsContact C-N 3.27Å
350Q95.5Very high90.2Very high5 Ų537.1 Ų37.12%0.02321%0.214CC..SBendtrans-147.5170.1-178.465.917839.900110.1Y346 P352 G354Y346-Q350 WeakPolarHBondContact O-CG 3.38Å; Q350-P352 WeakPolarHBondContact CG-O 3.38Å; Q350-P352 PolarHBondContact NE2-O 3.02Å; Q350-G354 PolarHBondContact NE2-O 3.47Å
351I96Very high91.6Very high96 Ų9634.6 Ų34.649%0.49220%0.196SC..SBendtrans-74.4-55.1179.1-57.1176.2000112.4L153 M154L153-I351 HydrophobicContact CD2-CD1 3.53Å; L153-I351 HydrophobicContact CG-CD1 4.17Å; M154-I351 HydrophobicContact CG-CG1 4.21Å; M154-I351 HydrophobicContact SD-CB 4.48Å; M154-I351 HydrophobicContact SD-CD1 4.33Å; M154-I351 HydrophobicContact SD-CG1 3.4Å; M154-I351 WeakPolarHBondContact SD-CG1 3.43Å
352P96Very high93.1Very high71 Ų7132.4 Ų32.446%0.46117%0.173SC..SBendtrans-78.1158.6-177.331.4-35000112Q350Q350-P352 WeakPolarHBondContact CG-O 3.38Å; Q350-P352 PolarHBondContact NE2-O 3.02Å
353L95.4Very high94.5Very high79 Ų7928.4 Ų28.441%0.41415%0.148SC..SBendtrans-69.6-56.2171.4176.363.8000111.4F103 L333 R347F103-L353 HydrophobicContact CB-CD1 3.85Å; F103-L353 HydrophobicContact CB-CG 4.02Å; F103-L353 WeakPolarHBondContact CB-O 3.23Å; F103-L353 HydrophobicContact CG-CD1 4.32Å; F103-L353 HydrophobicContact CG-CG 4.42Å; L333-L353 HydrophobicContact CD1-CD1 3.63Å; L333-L353 HydrophobicContact CD1-CD2 4.19Å; L333-L353 HydrophobicContact CD2-CD1 4.36Å; L333-L353 HydrophobicContact CD2-CD2 4.29Å; R347-L353 HydrophobicContact CB-CD1 4.02Å
354G94.9Very high95.6Very high38 Ų3829.1 Ų29.139%0.39215%0.149SC..  trans-72.4142.7-176.400000112.6Q350Q350-G354 PolarHBondContact NE2-O 3.47Å
355R96.6Very high96.4Very high7 Ų728.3 Ų28.33%0.02614%0.144CC..  trans-143.9141.6171.850.1-175.2-62.9-70.6-6.8111.2G102 C111 E115G102-R355 VanDerWaalsContact C-CG 3.5Å; G102-R355 PolarHBondContact N-O 3.38Å; G102-R355 WeakPolarHBondContact O-CD 3.38Å; G102-R355 WeakPolarHBondContact O-CG 3.03Å; G102-R355 PolarHBondContact O-NH1 3.35Å; C111-R355 PolarHBondContact SG-NH1 2.92Å; C111-R355 VanDerWaalsContact SG-NH1 3.36Å; E115-R355 IonicContact OE1-CZ 2.78Å; E115-R355 IonicContact OE1-NH2 2.79Å; E115-R355 PolarHBondContact OE1-NH2 3.44Å; E115-R355 IonicContact OE2-CZ 3.18Å; E115-R355 IonicContact OE2-NH2 2.93Å; E115-R355 PolarHBondContact OE2-NH2 3.35Å
356R96.4Very high96.9Very high85 Ų8528.3 Ų28.332%0.32114%0.144SC..  trans-85.4166.3176.952.7162.4165.3138.5118.3111.8D310 R358D310-R356 VanDerWaalsContact CG-CZ 3.46Å; D310-R356 PolarHBondContact O-NH2 3.31Å; D310-R356 IonicContact OD1-CZ 3.97Å; D310-R356 IonicContact OD1-NE 3.69Å; D310-R356 PolarHBondContact OD1-NE 2.78Å; D310-R356 IonicContact OD1-NH1 3.26Å; D310-R356 PolarHBondContact OD1-NH1 3.23Å; D310-R356 VanDerWaalsContact OD1-NH1 3.08Å; D310-R356 IonicContact OD1-NH2 2.86Å; D310-R356 PolarHBondContact OD1-NH2 3.07Å; D310-R356 IonicContact OD2-CZ 3.39Å; D310-R356 IonicContact OD2-NE 2.69Å; D310-R356 IonicContact OD2-NH1 3.17Å; R356-R358 HydrophobicContact CG-CG 3.68Å; R356-R358 PolarHBondContact O-N 3.03Å
357F98.3Very high97.1Very high13 Ų1335.6 Ų35.66%0.05717%0.171CC..  trans-77.556.7-177.9-156.8-10.4000113.3I98 A110 C111 L114 S359 L360I98-F357 HydrophobicContact CD1-CD2 4.23Å; I98-F357 HydrophobicContact CD1-CE2 4.32Å; A110-F357 HydrophobicContact CB-CE2 4.24Å; A110-F357 HydrophobicContact CB-CZ 4Å; A110-F357 WeakPolarHBondContact O-CE1 3.32Å; A110-F357 VanDerWaalsContact O-CZ 3.29Å; A110-F357 WeakPolarHBondContact O-CZ 3.41Å; C111-F357 HydrophobicContact CB-CD1 4.18Å; C111-F357 HydrophobicContact CB-CD2 4.45Å; C111-F357 HydrophobicContact CB-CE1 4.41Å; C111-F357 HydrophobicContact CB-CG 4.19Å; L114-F357 HydrophobicContact CB-CE1 3.95Å; L114-F357 HydrophobicContact CB-CZ 4.31Å; L114-F357 HydrophobicContact CD2-CE1 3.64Å; L114-F357 HydrophobicContact CD2-CZ 3.91Å; L114-F357 HydrophobicContact CG-CE1 4.34Å; F357-S359 VanDerWaalsContact C-N 3.28Å; F357-S359 WeakPolarHBondContact CD1-OG 3.39Å; F357-S359 VanDerWaalsContact CE1-OG 3.29Å; F357-S359 WeakPolarHBondContact CE1-OG 3.34Å; F357-S359 PolarHBondContact O-N 2.56Å; F357-L360 HydrophobicContact CD1-CB 4.2Å; F357-L360 HydrophobicContact CE1-CB 4.47Å; F357-L360 HydrophobicContact CG-CB 4.4Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 3.1Å
358R98.6Very high97.4Very high30 Ų3040.6 Ų40.611%0.11320%0.196CC..THydrogen-bonded Turntrans-61.7-32.2-174.5-57.6-168.5171.6100.5-5.3113.8I144 D310 R356 L360 K361I144-R358 HydrophobicContact CB-CB 4.35Å; I144-R358 HydrophobicContact CD1-CB 4.11Å; I144-R358 HydrophobicContact CG2-CB 3.88Å; I144-R358 HydrophobicContact CG2-CG 4.32Å; D310-R358 VanDerWaalsContact CG-NE 3.34Å; D310-R358 WeakPolarHBondContact OD1-CD 3.25Å; D310-R358 IonicContact OD1-CZ 3.18Å; D310-R358 IonicContact OD1-NE 3.52Å; D310-R358 PolarHBondContact OD1-NE 3.04Å; D310-R358 IonicContact OD1-NH2 3.01Å; D310-R358 IonicContact OD2-CZ 3.93Å; D310-R358 IonicContact OD2-NE 3.79Å; D310-R358 PolarHBondContact OD2-NE 3.44Å; D310-R358 VanDerWaalsContact OD2-NE 3.17Å; D310-R358 IonicContact OD2-NH2 3.28Å; D310-R358 PolarHBondContact OD2-NH2 3.44Å; R356-R358 HydrophobicContact CG-CG 3.68Å; R356-R358 PolarHBondContact O-N 3.03Å; R358-L360 PolarHBondContact O-N 2.75Å; R358-L360 VanDerWaalsContact O-N 3.13Å; R358-K361 WeakPolarHBondContact O-CG 3.31Å; R358-K361 PolarHBondContact O-N 2.97Å
359S98.6Very high97.6Very high0 Ų043.1 Ų43.10%021%0.206CC..Hα-helixtrans-60.7-21.3-179.6540000113.1E115 F357 L362 W363E115-S359 VanDerWaalsContact CA-CB 3.45Å; E115-S359 PolarHBondContact N-OG 2.8Å; F357-S359 VanDerWaalsContact C-N 3.28Å; F357-S359 WeakPolarHBondContact CD1-OG 3.39Å; F357-S359 VanDerWaalsContact CE1-OG 3.29Å; F357-S359 WeakPolarHBondContact CE1-OG 3.34Å; F357-S359 PolarHBondContact O-N 2.56Å; S359-L362 PolarHBondContact O-N 3.28Å; S359-W363 VanDerWaalsContact O-CB 3.23Å; S359-W363 WeakPolarHBondContact O-CB 3.34Å; S359-W363 PolarHBondContact O-N 3.5Å
360L98.3Very high97.7Very high10 Ų1044 Ų445%0.05222%0.218CC..Hα-helixtrans-62.3-45.2178.3-166.563.2000112.6A91 L94 C95 I98 L114 F357 R358 W363 F364A91-L360 HydrophobicContact CB-CG 4.28Å; L94-L360 HydrophobicContact CB-CD2 3.99Å; L94-L360 HydrophobicContact CD2-CD1 4.49Å; L94-L360 HydrophobicContact CD2-CD2 3.9Å; L94-L360 HydrophobicContact CG-CD2 3.81Å; C95-L360 HydrophobicContact CB-CD2 4.31Å; I98-L360 HydrophobicContact CD1-CD2 4.43Å; L114-L360 HydrophobicContact CD2-CD1 4.18Å; F357-L360 HydrophobicContact CD1-CB 4.2Å; F357-L360 HydrophobicContact CE1-CB 4.47Å; F357-L360 HydrophobicContact CG-CB 4.4Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 3.1Å; R358-L360 PolarHBondContact O-N 2.75Å; R358-L360 VanDerWaalsContact O-N 3.13Å; L360-W363 HydrophobicContact CD1-CE3 4.26Å; L360-W363 WeakPolarHBondContact O-CB 3.42Å; L360-W363 PolarHBondContact O-N 3.49Å; L360-F364 HydrophobicContact CD1-CD1 4.36Å; L360-F364 HydrophobicContact CD1-CE1 3.89Å; L360-F364 HydrophobicContact CG-CD1 4.45Å; L360-F364 HydrophobicContact CG-CE1 4.19Å; L360-F364 VanDerWaalsContact O-CD1 3.23Å; L360-F364 WeakPolarHBondContact O-CD1 3.24Å; L360-F364 PolarHBondContact O-N 3.46Å
361K98.6Very high97.9Very high0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-72.5-36178.457.5170.2163.7-167.70113.5A88 A91 D92 V307 N308 D310 R358 W363 F364 V365A88-K361 HydrophobicContact CB-CB 4.33Å; A91-K361 HydrophobicContact CB-CB 3.62Å; D92-K361 VanDerWaalsContact OD1-CD 3.31Å; D92-K361 WeakPolarHBondContact OD1-CD 3.46Å; D92-K361 IonicContact OD1-NZ 2.8Å; D92-K361 IonicContact OD2-NZ 2.66Å; D92-K361 PolarHBondContact OD2-NZ 2.84Å; V307-K361 HydrophobicContact CG1-CB 4.44Å; V307-K361 HydrophobicContact CG1-CD 3.59Å; V307-K361 HydrophobicContact CG1-CG 3.82Å; N308-K361 WeakPolarHBondContact O-CE 3.42Å; N308-K361 PolarHBondContact O-NZ 3.29Å; N308-K361 WeakPolarHBondContact OD1-CD 3.31Å; D310-K361 WeakPolarHBondContact O-CE 3.32Å; D310-K361 PolarHBondContact O-NZ 2.89Å; R358-K361 WeakPolarHBondContact O-CG 3.31Å; R358-K361 PolarHBondContact O-N 2.97Å; K361-W363 VanDerWaalsContact C-N 3.32Å; K361-F364 PolarHBondContact O-N 2.91Å; K361-V365 WeakPolarHBondContact O-CB 3.49Å; K361-V365 VanDerWaalsContact O-CG2 3.31Å; K361-V365 WeakPolarHBondContact O-CG2 3.23Å; K361-V365 PolarHBondContact O-N 2.83Å
362L98.8Very high98Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-61.6-45.2171.5179.959.1000110.1V118 L119 L122 I144 P301 V307 S359 F364 V365 L366V118-L362 HydrophobicContact CB-CD2 4.27Å; V118-L362 HydrophobicContact CB-CG 4.48Å; V118-L362 HydrophobicContact CG2-CD2 3.82Å; V118-L362 HydrophobicContact CG2-CG 4.33Å; L119-L362 HydrophobicContact CD2-CD2 4.25Å; L122-L362 HydrophobicContact CD2-CD1 4.36Å; L122-L362 HydrophobicContact CD2-CD2 3.99Å; I144-L362 HydrophobicContact CD1-CD2 4.19Å; P301-L362 HydrophobicContact CB-CD1 4.35Å; P301-L362 HydrophobicContact CG-CD1 4.48Å; V307-L362 HydrophobicContact CG2-CD1 3.92Å; S359-L362 PolarHBondContact O-N 3.28Å; L362-F364 PolarHBondContact O-N 3.11Å; L362-V365 PolarHBondContact O-N 3.36Å; L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CD2 4.41Å; L362-L366 HydrophobicContact CD1-CG 3.99Å; L362-L366 HydrophobicContact CG-CD1 4.02Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 VanDerWaalsContact O-CG 3.25Å; L362-L366 WeakPolarHBondContact O-CG 3.21Å; L362-L366 PolarHBondContact O-N 3.37Å
363W98.9Very high98.1Very high67 Ų6745.4 Ų45.425%0.25424%0.236SC..Hα-helixtrans-59.2-46.6177.1-172.764.6000112.9L114 V118 W121 S359 L360 K361 L366 R367L114-W363 HydrophobicContact CD1-CB 4.37Å; L114-W363 HydrophobicContact CD1-CD2 4.23Å; L114-W363 HydrophobicContact CD1-CG 3.9Å; L114-W363 HydrophobicContact CD2-CB 4.18Å; L114-W363 HydrophobicContact CD2-CD2 4.44Å; L114-W363 HydrophobicContact CD2-CG 4.29Å; V118-W363 HydrophobicContact CG1-CB 3.85Å; V118-W363 HydrophobicContact CG1-CG 4.13Å; W121-W363 AromaticContact CH2-NE1 3.98Å; W121-W363 AromaticContact CZ3-CD1 3.86Å; S359-W363 VanDerWaalsContact O-CB 3.23Å; S359-W363 WeakPolarHBondContact O-CB 3.34Å; S359-W363 PolarHBondContact O-N 3.5Å; L360-W363 HydrophobicContact CD1-CE3 4.26Å; L360-W363 WeakPolarHBondContact O-CB 3.42Å; L360-W363 PolarHBondContact O-N 3.49Å; K361-W363 VanDerWaalsContact C-N 3.32Å; W363-L366 PolarHBondContact O-N 3.23Å; W363-R367 WeakPolarHBondContact O-CB 3.33Å; W363-R367 VanDerWaalsContact O-CG 3.31Å; W363-R367 WeakPolarHBondContact O-CG 3.46Å; W363-R367 PolarHBondContact O-N 3.21Å
364F98.9Very high98.3Very high41 Ų4141.7 Ų41.718%0.1822%0.216CC..Hα-helixtrans-60.2-49.2177.2-89.349.9000111.4P87 L90 A91 L94 L360 K361 L362 R367 M368P87-F364 HydrophobicContact CB-CB 4.28Å; L90-F364 HydrophobicContact CB-CE2 4.47Å; A91-F364 HydrophobicContact CB-CB 3.93Å; A91-F364 HydrophobicContact CB-CD1 4Å; A91-F364 HydrophobicContact CB-CD2 3.83Å; A91-F364 HydrophobicContact CB-CE1 4.47Å; A91-F364 HydrophobicContact CB-CE2 4.31Å; A91-F364 HydrophobicContact CB-CG 3.67Å; L94-F364 HydrophobicContact CD2-CZ 4.16Å; L360-F364 HydrophobicContact CD1-CD1 4.36Å; L360-F364 HydrophobicContact CD1-CE1 3.89Å; L360-F364 HydrophobicContact CG-CD1 4.45Å; L360-F364 HydrophobicContact CG-CE1 4.19Å; L360-F364 VanDerWaalsContact O-CD1 3.23Å; L360-F364 WeakPolarHBondContact O-CD1 3.24Å; L360-F364 PolarHBondContact O-N 3.46Å; K361-F364 PolarHBondContact O-N 2.91Å; L362-F364 PolarHBondContact O-N 3.11Å; F364-R367 PolarHBondContact O-N 3.46Å; F364-M368 HydrophobicContact CD2-SD 4.23Å; F364-M368 VanDerWaalsContact O-CB 3.28Å; F364-M368 WeakPolarHBondContact O-CB 3.28Å; F364-M368 VanDerWaalsContact O-CG 3.27Å; F364-M368 WeakPolarHBondContact O-CG 3.49Å; F364-M368 PolarHBondContact O-N 3.25Å
365V98.9Very high98.5Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-60.2-49.9-179.9169.40000110.9P87 A88 L305 L306 V307 K361 L362 R367 M368 Y369 L374P87-V365 HydrophobicContact CB-CG2 4.22Å; A88-V365 HydrophobicContact CB-CG2 3.71Å; L305-V365 WeakPolarHBondContact O-CG1 3.4Å; L306-V365 HydrophobicContact CB-CG1 4.29Å; V307-V365 HydrophobicContact CG2-CB 4.05Å; V307-V365 HydrophobicContact CG2-CG1 4.06Å; V307-V365 HydrophobicContact CG2-CG2 4.02Å; K361-V365 WeakPolarHBondContact O-CB 3.49Å; K361-V365 VanDerWaalsContact O-CG2 3.31Å; K361-V365 WeakPolarHBondContact O-CG2 3.23Å; K361-V365 PolarHBondContact O-N 2.83Å; L362-V365 PolarHBondContact O-N 3.36Å; V365-R367 VanDerWaalsContact C-N 3.31Å; V365-R367 PolarHBondContact O-N 2.98Å; V365-M368 PolarHBondContact O-N 3.33Å; V365-Y369 HydrophobicContact CG1-CD2 3.89Å; V365-Y369 HydrophobicContact CG1-CE2 4.42Å; V365-Y369 WeakPolarHBondContact O-CB 3.26Å; V365-Y369 PolarHBondContact O-N 2.97Å; V365-L374 HydrophobicContact CG1-CD2 4.09Å
366L98.8Very high98.6Very high16 Ų1645.1 Ų45.18%0.08422%0.222CC..Hα-helixtrans-59.6-40.8179.5-68.7-178.9000112.1W121 M125 L362 W363 G370 L374W121-L366 HydrophobicContact CE3-CD1 4.44Å; M125-L366 HydrophobicContact CE-CD2 3.68Å; M125-L366 HydrophobicContact SD-CD1 4.45Å; M125-L366 HydrophobicContact SD-CD2 3.71Å; L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CD2 4.41Å; L362-L366 HydrophobicContact CD1-CG 3.99Å; L362-L366 HydrophobicContact CG-CD1 4.02Å; L362-L366 HydrophobicContact CG-CG 4.35Å; L362-L366 WeakPolarHBondContact O-CB 3.49Å; L362-L366 VanDerWaalsContact O-CG 3.25Å; L362-L366 WeakPolarHBondContact O-CG 3.21Å; L362-L366 PolarHBondContact O-N 3.37Å; W363-L366 PolarHBondContact O-N 3.23Å; L366-G370 VanDerWaalsContact O-CA 3.25Å; L366-G370 WeakPolarHBondContact O-CA 3.43Å; L366-G370 PolarHBondContact O-N 3.13Å; L366-L374 HydrophobicContact CD2-CD1 3.72Å
367R98.8Very high98.7Very high156 Ų15642 Ų4259%0.58921%0.211SC*.Hα-helixtrans-75.2-39.4-179.5-71.3-168.870.9-167.14.1113.8W121 W363 F364 V365W121-R367 HydrophobicContact CZ3-CG 4.34Å; W363-R367 WeakPolarHBondContact O-CB 3.33Å; W363-R367 VanDerWaalsContact O-CG 3.31Å; W363-R367 WeakPolarHBondContact O-CG 3.46Å; W363-R367 PolarHBondContact O-N 3.21Å; F364-R367 PolarHBondContact O-N 3.46Å; V365-R367 VanDerWaalsContact C-N 3.31Å; V365-R367 PolarHBondContact O-N 2.98Å
368M98.7Very high98.7Very high117 Ų11741.4 Ų41.458%0.57621%0.209SC*.Hα-helixtrans-84.7-32-172.5-66.6-176.872.400112.9P87 F364 V365P87-M368 HydrophobicContact CB-CB 4.21Å; P87-M368 HydrophobicContact CB-CE 4.5Å; P87-M368 HydrophobicContact CB-CG 4.42Å; P87-M368 HydrophobicContact CB-SD 3.62Å; P87-M368 HydrophobicContact CG-CB 3.94Å; P87-M368 HydrophobicContact CG-CE 4.07Å; P87-M368 HydrophobicContact CG-CG 4.47Å; P87-M368 HydrophobicContact CG-SD 3.79Å; F364-M368 HydrophobicContact CD2-SD 4.23Å; F364-M368 VanDerWaalsContact O-CB 3.28Å; F364-M368 WeakPolarHBondContact O-CB 3.28Å; F364-M368 VanDerWaalsContact O-CG 3.27Å; F364-M368 WeakPolarHBondContact O-CG 3.49Å; F364-M368 PolarHBondContact O-N 3.25Å; V365-M368 PolarHBondContact O-N 3.33Å
369Y98.8Very high98.8Very high67 Ų6743 Ų4326%0.26322%0.215SC..Hα-helixtrans-86.6-32.7171.8-75.4-79000112.6S85 P87 L306 V365 L374S85-Y369 VanDerWaalsContact CB-OH 3.26Å; S85-Y369 WeakPolarHBondContact CB-OH 3.33Å; P87-Y369 HydrophobicContact CG-CD2 4.38Å; P87-Y369 HydrophobicContact CG-CE2 3.82Å; L306-Y369 HydrophobicContact CB-CE2 4.33Å; L306-Y369 HydrophobicContact CD1-CD1 4.23Å; L306-Y369 HydrophobicContact CD1-CD2 4.47Å; L306-Y369 HydrophobicContact CD1-CE1 3.81Å; L306-Y369 HydrophobicContact CD1-CE2 4.06Å; V365-Y369 HydrophobicContact CG1-CD2 3.89Å; V365-Y369 HydrophobicContact CG1-CE2 4.42Å; V365-Y369 WeakPolarHBondContact O-CB 3.26Å; V365-Y369 PolarHBondContact O-N 2.97Å; Y369-L374 HydrophobicContact CD2-CD2 4.37Å; Y369-L374 HydrophobicContact CG-CD2 4.13Å
370G98.7Very high98.8Very high27 Ų2744.9 Ų44.928%0.27822%0.223SC..Hα-helixtrans66.3165.2-166.900000112.6L366 T372 G373 L374L366-G370 VanDerWaalsContact O-CA 3.25Å; L366-G370 WeakPolarHBondContact O-CA 3.43Å; L366-G370 PolarHBondContact O-N 3.13Å; G370-T372 VanDerWaalsContact C-N 3.32Å; G370-T372 PolarHBondContact O-N 3.28Å; G370-G373 PolarHBondContact O-N 2.81Å; G370-L374 WeakPolarHBondContact O-CG 3.22Å; G370-L374 PolarHBondContact O-N 2.85Å
371V98.7Very high98.8Very high62 Ų6244.4 Ų44.438%0.37622%0.22SC..Hα-helixtrans-60.8-42.5179.9-179.80000111.2M125 G373 L374 Q375M125-V371 HydrophobicContact CE-CG1 4.43Å; M125-V371 HydrophobicContact CE-CG2 4.01Å; M125-V371 HydrophobicContact CG-CG2 4.07Å; M125-V371 HydrophobicContact SD-CG2 4.02Å; V371-G373 PolarHBondContact O-N 2.96Å; V371-L374 PolarHBondContact O-N 2.82Å; V371-Q375 HydrophobicContact CG1-CG 4.25Å; V371-Q375 WeakPolarHBondContact O-CB 3.35Å; V371-Q375 VanDerWaalsContact O-CG 3.31Å; V371-Q375 WeakPolarHBondContact O-CG 3.29Å; V371-Q375 PolarHBondContact O-N 3.26Å
372T98.8Very high98.8Very high110 Ų11044.9 Ų44.968%0.67522%0.223SC*.Hα-helixtrans-61.8-42.9-179.9-52.50000112.6G370 Q375 E376G370-T372 VanDerWaalsContact C-N 3.32Å; G370-T372 PolarHBondContact O-N 3.28Å; T372-Q375 PolarHBondContact O-N 2.81Å; T372-E376 PolarHBondContact O-N 3.41Å
373G98.8Very high98.8Very high29 Ų2951.1 Ų51.130%0.29925%0.246SC..Hα-helixtrans-65.8-40.1178.500000112.4G370 V371 E376 H377G370-G373 PolarHBondContact O-N 2.81Å; V371-G373 PolarHBondContact O-N 2.96Å; G373-E376 PolarHBondContact O-N 2.85Å; G373-H377 PolarHBondContact O-N 3.2Å
374L98.9Very high98.8Very high1 Ų148.4 Ų48.41%0.00524%0.237CC..Hα-helixtrans-67-40.7175.2-65.2171.8000111.9M125 I280 L305 L306 V365 L366 Y369 G370 V371 E376 H377 I378M125-L374 HydrophobicContact CE-CD1 4.26Å; I280-L374 HydrophobicContact CD1-CB 3.6Å; L305-L374 HydrophobicContact CD1-CB 4.33Å; L305-L374 HydrophobicContact CD1-CD1 4.29Å; L305-L374 HydrophobicContact CD1-CD2 4.45Å; L305-L374 HydrophobicContact CG-CD1 4.37Å; L305-L374 HydrophobicContact CG-CD2 4.49Å; L306-L374 HydrophobicContact CB-CD2 4.41Å; L306-L374 HydrophobicContact CD1-CD2 4.21Å; L306-L374 HydrophobicContact CG-CD2 4.47Å; V365-L374 HydrophobicContact CG1-CD2 4.09Å; L366-L374 HydrophobicContact CD2-CD1 3.72Å; Y369-L374 HydrophobicContact CD2-CD2 4.37Å; Y369-L374 HydrophobicContact CG-CD2 4.13Å; G370-L374 WeakPolarHBondContact O-CG 3.22Å; G370-L374 PolarHBondContact O-N 2.85Å; V371-L374 PolarHBondContact O-N 2.82Å; L374-E376 PolarHBondContact O-N 2.97Å; L374-H377 WeakPolarHBondContact O-CB 3.22Å; L374-H377 PolarHBondContact O-N 2.96Å; L374-I378 WeakPolarHBondContact O-CG1 3.27Å; L374-I378 PolarHBondContact O-N 3.03Å; L374-I378 VanDerWaalsContact O-N 3.15Å
375Q98.9Very high98.8Very high28 Ų2846.5 Ų46.513%0.13123%0.228CC..Hα-helixtrans-60.9-43.8174.4-75.1174-12.200111.7I280 V371 T372 H377 I378 R379I280-Q375 HydrophobicContact CD1-CG 4.08Å; I280-Q375 HydrophobicContact CG1-CG 3.92Å; I280-Q375 PolarHBondContact O-NE2 2.57Å; V371-Q375 HydrophobicContact CG1-CG 4.25Å; V371-Q375 WeakPolarHBondContact O-CB 3.35Å; V371-Q375 VanDerWaalsContact O-CG 3.31Å; V371-Q375 WeakPolarHBondContact O-CG 3.29Å; V371-Q375 PolarHBondContact O-N 3.26Å; T372-Q375 PolarHBondContact O-N 2.81Å; Q375-H377 VanDerWaalsContact C-N 3.31Å; Q375-H377 PolarHBondContact O-N 2.79Å; Q375-I378 PolarHBondContact O-N 2.88Å; Q375-R379 WeakPolarHBondContact O-CB 3.46Å; Q375-R379 VanDerWaalsContact O-CG 3.3Å; Q375-R379 WeakPolarHBondContact O-CG 3.43Å; Q375-R379 PolarHBondContact O-N 3.3Å
376E98.8Very high98.8Very high89 Ų8950.1 Ų50.142%0.41625%0.245SC..Hα-helixtrans-64.8-36.1177.9-17452.4-140.900112.1T372 G373 L374 R379 K380 R383T372-E376 PolarHBondContact O-N 3.41Å; G373-E376 PolarHBondContact O-N 2.85Å; L374-E376 PolarHBondContact O-N 2.97Å; E376-R379 PolarHBondContact O-N 3.46Å; E376-K380 VanDerWaalsContact O-CB 3.31Å; E376-K380 WeakPolarHBondContact O-CB 3.41Å; E376-K380 PolarHBondContact O-N 3.49Å; E376-R383 IonicContact OE1-CZ 2.78Å; E376-R383 VanDerWaalsContact OE1-CZ 3.29Å; E376-R383 IonicContact OE1-NH1 2.65Å; E376-R383 PolarHBondContact OE1-NH1 3.17Å; E376-R383 IonicContact OE1-NH2 3.78Å; E376-R383 PolarHBondContact OE1-NH2 3.36Å; E376-R383 IonicContact OE2-NH1 2.72Å
377H98.8Very high98.8Very high20 Ų2051.5 Ų51.59%0.09325%0.251CS..Hα-helixtrans-58.9-49.1173.1172.666.3000112.2L306 G373 L374 Q375 K380 H381L306-H377 HydrophobicContact CD1-CB 4.44Å; L306-H377 WeakPolarHBondContact CD2-NE2 3.49Å; G373-H377 PolarHBondContact O-N 3.2Å; L374-H377 WeakPolarHBondContact O-CB 3.22Å; L374-H377 PolarHBondContact O-N 2.96Å; Q375-H377 VanDerWaalsContact C-N 3.31Å; Q375-H377 PolarHBondContact O-N 2.79Å; H377-K380 PolarHBondContact O-N 3.33Å; H377-H381 AromaticContact CE1-CD2 3.71Å; H377-H381 AromaticContact CE1-CE1 3.44Å; H377-H381 PolarHBondContact CE1-CE1 2.9Å; H377-H381 VanDerWaalsContact CE1-CE1 3.44Å; H377-H381 AromaticContact CE1-NE2 3.01Å; H377-H381 PolarHBondContact CE1-NE2 3.31Å; H377-H381 AromaticContact ND1-CD2 3.87Å; H377-H381 AromaticContact ND1-NE2 3.51Å; H377-H381 AromaticContact NE2-CE1 3.93Å; H377-H381 AromaticContact NE2-NE2 3.86Å; H377-H381 PolarHBondContact O-CD2 3.24Å; H377-H381 VanDerWaalsContact O-CD2 3.26Å; H377-H381 PolarHBondContact O-N 3.31Å; H377-H381 VanDerWaalsContact O-N 3.16Å
378I98.9Very high98.8Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-60.7-50.4176.6-64.7-62.8000110.7A278 I280 W304 L374 Q375 K380 H381 I382A278-I378 HydrophobicContact CB-CG2 4.28Å; I280-I378 HydrophobicContact CD1-CG1 4.16Å; W304-I378 HydrophobicContact CB-CD1 4.36Å; W304-I378 HydrophobicContact CD2-CD1 3.43Å; W304-I378 VanDerWaalsContact CD2-CD1 3.43Å; W304-I378 HydrophobicContact CE3-CD1 3.7Å; W304-I378 HydrophobicContact CG-CD1 3.74Å; W304-I378 HydrophobicContact CH2-CD1 4.41Å; W304-I378 HydrophobicContact CH2-CG2 4.04Å; W304-I378 HydrophobicContact CZ2-CD1 4.2Å; W304-I378 HydrophobicContact CZ2-CG2 4.35Å; W304-I378 HydrophobicContact CZ3-CD1 4.18Å; W304-I378 HydrophobicContact CZ3-CG2 4.3Å; W304-I378 WeakPolarHBondContact O-CD1 3.39Å; L374-I378 WeakPolarHBondContact O-CG1 3.27Å; L374-I378 PolarHBondContact O-N 3.03Å; L374-I378 VanDerWaalsContact O-N 3.15Å; Q375-I378 PolarHBondContact O-N 2.88Å; I378-K380 VanDerWaalsContact C-N 3.29Å; I378-K380 PolarHBondContact O-N 2.96Å; I378-H381 PolarHBondContact O-N 3.18Å; I378-H381 VanDerWaalsContact O-N 3.1Å; I378-I382 HydrophobicContact CG2-CD1 3.74Å; I378-I382 HydrophobicContact CG2-CG1 4.48Å; I378-I382 WeakPolarHBondContact O-CG1 3.4Å; I378-I382 PolarHBondContact O-N 3.44Å
379R98.9Very high98.8Very high64 Ų6440.5 Ų40.524%0.24221%0.205CC..Hα-helixtrans-57.9-41.4179.5-72.5169.7176.4139.76.4111.9E283 Q375 E376 I382 R383E283-R379 IonicContact OE1-CZ 3.85Å; E283-R379 VanDerWaalsContact OE1-CZ 3.28Å; E283-R379 IonicContact OE1-NE 2.61Å; E283-R379 PolarHBondContact OE1-NE 2.98Å; E283-R379 IonicContact OE1-NH2 3.08Å; E283-R379 PolarHBondContact OE1-NH2 3.42Å; E283-R379 IonicContact OE2-CZ 2.91Å; E283-R379 IonicContact OE2-NH2 3.91Å; E283-R379 PolarHBondContact OE2-NH2 3.38Å; Q375-R379 WeakPolarHBondContact O-CB 3.46Å; Q375-R379 VanDerWaalsContact O-CG 3.3Å; Q375-R379 WeakPolarHBondContact O-CG 3.43Å; Q375-R379 PolarHBondContact O-N 3.3Å; E376-R379 PolarHBondContact O-N 3.46Å; R379-I382 PolarHBondContact O-N 2.98Å; R379-R383 WeakPolarHBondContact O-CG 3.48Å; R379-R383 PolarHBondContact O-N 2.86Å
380K98.9Very high98.8Very high38 Ų3842.6 Ų42.617%0.16522%0.217CC..Hα-helixtrans-58.9-47.6175.2179.5-176.3169-169.40111.5E376 H377 I378 I382 R383 L384 V455 E456E376-K380 VanDerWaalsContact O-CB 3.31Å; E376-K380 WeakPolarHBondContact O-CB 3.41Å; E376-K380 PolarHBondContact O-N 3.49Å; H377-K380 PolarHBondContact O-N 3.33Å; I378-K380 VanDerWaalsContact C-N 3.29Å; I378-K380 PolarHBondContact O-N 2.96Å; K380-I382 VanDerWaalsContact C-N 3.31Å; K380-I382 PolarHBondContact O-N 2.91Å; K380-R383 PolarHBondContact O-N 3.06Å; K380-L384 HydrophobicContact CG-CD1 4.14Å; K380-L384 WeakPolarHBondContact O-CG 3.38Å; K380-L384 PolarHBondContact O-N 2.77Å; K380-V455 WeakPolarHBondContact CE-O 3.49Å; K380-V455 PolarHBondContact NZ-O 2.84Å; K380-E456 VanDerWaalsContact CE-OE2 3.3Å; K380-E456 WeakPolarHBondContact CE-OE2 3.2Å; K380-E456 IonicContact NZ-OE1 3.84Å; K380-E456 PolarHBondContact NZ-OE1 3.24Å; K380-E456 IonicContact NZ-OE2 2.73Å; K380-E456 PolarHBondContact NZ-OE2 3.28Å
381H98.9Very high98.9Very high0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-62.7-39.7-179.9-78.6-138.9000111.8W304 H377 I378 L384 S385 I450 C451 S452W304-H381 AromaticContact CD1-ND1 3.86Å; W304-H381 HydrophobicContact CZ2-CB 3.61Å; W304-H381 AromaticContact NE1-CE1 3.89Å; W304-H381 AromaticContact NE1-CG 3.51Å; W304-H381 AromaticContact NE1-ND1 3.05Å; W304-H381 PolarHBondContact NE1-ND1 2.87Å; H377-H381 AromaticContact CE1-CD2 3.71Å; H377-H381 AromaticContact CE1-CE1 3.44Å; H377-H381 PolarHBondContact CE1-CE1 2.9Å; H377-H381 VanDerWaalsContact CE1-CE1 3.44Å; H377-H381 AromaticContact CE1-NE2 3.01Å; H377-H381 PolarHBondContact CE1-NE2 3.31Å; H377-H381 AromaticContact ND1-CD2 3.87Å; H377-H381 AromaticContact ND1-NE2 3.51Å; H377-H381 AromaticContact NE2-CE1 3.93Å; H377-H381 AromaticContact NE2-NE2 3.86Å; H377-H381 PolarHBondContact O-CD2 3.24Å; H377-H381 VanDerWaalsContact O-CD2 3.26Å; H377-H381 PolarHBondContact O-N 3.31Å; H377-H381 VanDerWaalsContact O-N 3.16Å; I378-H381 PolarHBondContact O-N 3.18Å; I378-H381 VanDerWaalsContact O-N 3.1Å; H381-L384 PolarHBondContact O-N 3.03Å; H381-S385 PolarHBondContact O-N 2.95Å; H381-S385 PolarHBondContact O-OG 3.37Å; H381-I450 HydrophobicContact CB-CB 4.27Å; H381-I450 HydrophobicContact CB-CG2 3.92Å; H381-I450 PolarHBondContact ND1-O 3.22Å; H381-C451 PolarHBondContact CE1-O 3.19Å; H381-S452 PolarHBondContact CE1-O 3.03Å; H381-S452 PolarHBondContact NE2-O 3.09Å
382I98.9Very high98.9Very high11 Ų1139.8 Ų39.86%0.05619%0.193CC..Hα-helixtrans-68.2-40177.1-62.7171.8000111.4F284 W304 I378 R379 K380 L384 S385 H386 L406F284-I382 HydrophobicContact CD2-CD1 4Å; F284-I382 HydrophobicContact CE1-CD1 4.01Å; F284-I382 HydrophobicContact CE2-CD1 3.27Å; F284-I382 HydrophobicContact CZ-CD1 3.28Å; F284-I382 HydrophobicContact CZ-CG2 4.23Å; W304-I382 HydrophobicContact CH2-CD1 3.98Å; W304-I382 HydrophobicContact CH2-CG1 3.75Å; W304-I382 HydrophobicContact CZ2-CG1 4.15Å; I378-I382 HydrophobicContact CG2-CD1 3.74Å; I378-I382 HydrophobicContact CG2-CG1 4.48Å; I378-I382 WeakPolarHBondContact O-CG1 3.4Å; I378-I382 PolarHBondContact O-N 3.44Å; R379-I382 PolarHBondContact O-N 2.98Å; K380-I382 VanDerWaalsContact C-N 3.31Å; K380-I382 PolarHBondContact O-N 2.91Å; I382-L384 VanDerWaalsContact C-N 3.27Å; I382-L384 PolarHBondContact O-N 3.13Å; I382-S385 WeakPolarHBondContact CA-OG 3.43Å; I382-S385 PolarHBondContact O-N 3.5Å; I382-S385 PolarHBondContact O-OG 2.75Å; I382-H386 PolarHBondContact O-CD2 3.03Å; I382-H386 PolarHBondContact O-N 2.61Å; I382-H386 VanDerWaalsContact O-N 3.11Å; I382-L406 HydrophobicContact CD1-CD2 3.64Å; I382-L406 HydrophobicContact CG1-CD2 4.37Å
383R98.9Very high98.9Very high130 Ų13039.7 Ų39.749%0.49119%0.188SC..Hα-helixtrans-60.3-38.8172.3-71.4-173.8-51.4-103.94.2112E376 R379 K380 Q387E376-R383 IonicContact OE1-CZ 2.78Å; E376-R383 VanDerWaalsContact OE1-CZ 3.29Å; E376-R383 IonicContact OE1-NH1 2.65Å; E376-R383 PolarHBondContact OE1-NH1 3.17Å; E376-R383 IonicContact OE1-NH2 3.78Å; E376-R383 PolarHBondContact OE1-NH2 3.36Å; E376-R383 IonicContact OE2-NH1 2.72Å; R379-R383 WeakPolarHBondContact O-CG 3.48Å; R379-R383 PolarHBondContact O-N 2.86Å; K380-R383 PolarHBondContact O-N 3.06Å; R383-Q387 WeakPolarHBondContact O-CB 3.48Å; R383-Q387 PolarHBondContact O-N 2.98Å
384L98.9Very high98.9Very high11 Ų1144.2 Ų44.26%0.05820%0.202CC..Hα-helixtrans-72.2-33.7179.7-70.5175000113K380 H381 I382 Q387 F388 I450 V455 V460K380-L384 HydrophobicContact CG-CD1 4.14Å; K380-L384 WeakPolarHBondContact O-CG 3.38Å; K380-L384 PolarHBondContact O-N 2.77Å; H381-L384 PolarHBondContact O-N 3.03Å; I382-L384 VanDerWaalsContact C-N 3.27Å; I382-L384 PolarHBondContact O-N 3.13Å; L384-Q387 WeakPolarHBondContact O-CB 3.37Å; L384-Q387 PolarHBondContact O-N 2.8Å; L384-F388 PolarHBondContact O-N 3.31Å; L384-I450 HydrophobicContact CB-CD1 4.08Å; L384-I450 HydrophobicContact CB-CG1 4.21Å; L384-I450 HydrophobicContact CB-CG2 4.25Å; L384-I450 HydrophobicContact CD1-CG2 4.3Å; L384-V455 HydrophobicContact CD1-CG1 3.73Å; L384-V455 HydrophobicContact CD1-CG2 4.43Å; L384-V460 HydrophobicContact CB-CG2 4.21Å; L384-V460 HydrophobicContact CD2-CG2 4.16Å
385S98.9Very high98.8Very high0 Ų045.4 Ų45.40%021%0.208CC..Hα-helixtrans-67.4-44.2172.954.80000111.4H381 I382 Q387 F388 E389 L406 V409H381-S385 PolarHBondContact O-N 2.95Å; H381-S385 PolarHBondContact O-OG 3.37Å; I382-S385 WeakPolarHBondContact CA-OG 3.43Å; I382-S385 PolarHBondContact O-N 3.5Å; I382-S385 PolarHBondContact O-OG 2.75Å; S385-Q387 VanDerWaalsContact C-N 3.28Å; S385-Q387 PolarHBondContact O-N 3.13Å; S385-F388 WeakPolarHBondContact O-CB 3.36Å; S385-F388 PolarHBondContact O-N 3.08Å; S385-F388 VanDerWaalsContact O-N 3.07Å; S385-E389 PolarHBondContact O-N 2.94Å; S385-L406 WeakPolarHBondContact CB-O 3.43Å; S385-L406 PolarHBondContact OG-O 2.87Å; S385-V409 WeakPolarHBondContact O-CG2 3.26Å
386H98.9Very high98.8Very high77 Ų7752.1 Ų52.136%0.35624%0.239SC..Hα-helixtrans-64.4-31.5173.6-73.8-62.5000113.1I382 E389 H390 V404I382-H386 PolarHBondContact O-CD2 3.03Å; I382-H386 PolarHBondContact O-N 2.61Å; I382-H386 VanDerWaalsContact O-N 3.11Å; H386-E389 IonicContact CE1-OE2 3.19Å; H386-E389 IonicContact CG-OE2 3.76Å; H386-E389 IonicContact ND1-OE2 2.95Å; H386-E389 PolarHBondContact ND1-OE2 2.89Å; H386-E389 PolarHBondContact O-N 3.39Å; H386-H390 WeakPolarHBondContact O-CB 3.29Å; H386-H390 PolarHBondContact O-N 3.4Å; H386-V404 PolarHBondContact CE1-O 2.88Å
387Q98.9Very high98.8Very high45 Ų4551.1 Ų51.121%0.2123%0.232CC..Hα-helixtrans-62.9-43.4170.7-168.4-161-4200111.3R383 L384 S385 L391 S457R383-Q387 WeakPolarHBondContact O-CB 3.48Å; R383-Q387 PolarHBondContact O-N 2.98Å; L384-Q387 WeakPolarHBondContact O-CB 3.37Å; L384-Q387 PolarHBondContact O-N 2.8Å; S385-Q387 VanDerWaalsContact C-N 3.28Å; S385-Q387 PolarHBondContact O-N 3.13Å; Q387-L391 WeakPolarHBondContact O-CG 3.29Å; Q387-L391 PolarHBondContact O-N 2.98Å; Q387-S457 PolarHBondContact NE2-OG 2.79Å; Q387-S457 VanDerWaalsContact OE1-CB 3.3Å; Q387-S457 PolarHBondContact OE1-OG 2.78Å
388F98.9Very high98.8Very high0 Ų050.6 Ų50.60%023%0.229CC..Hα-helixtrans-65.4-44.5175.8-177.1-97.3000111.7L384 S385 H390 L391 V392 V409 F411 F448 V460 W464 I467L384-F388 PolarHBondContact O-N 3.31Å; S385-F388 WeakPolarHBondContact O-CB 3.36Å; S385-F388 PolarHBondContact O-N 3.08Å; S385-F388 VanDerWaalsContact O-N 3.07Å; F388-H390 VanDerWaalsContact C-N 3.32Å; F388-H390 PolarHBondContact O-N 3.22Å; F388-L391 WeakPolarHBondContact O-CB 3.37Å; F388-L391 PolarHBondContact O-N 2.82Å; F388-L391 VanDerWaalsContact O-N 3.11Å; F388-V392 HydrophobicContact CD1-CG2 3.93Å; F388-V392 HydrophobicContact CE1-CG2 3.52Å; F388-V392 HydrophobicContact CZ-CG2 3.86Å; F388-V392 WeakPolarHBondContact O-CG2 3.27Å; F388-V392 PolarHBondContact O-N 3.48Å; F388-V409 HydrophobicContact CD1-CB 3.74Å; F388-V409 HydrophobicContact CD1-CG1 3.82Å; F388-V409 HydrophobicContact CD1-CG2 3.89Å; F388-V409 HydrophobicContact CE1-CB 4.14Å; F388-V409 HydrophobicContact CE1-CG1 4.06Å; F388-F411 AromaticContact CE1-CD1 3.87Å; F388-F411 HydrophobicContact CE1-CD1 3.87Å; F388-F411 AromaticContact CE1-CE1 3.94Å; F388-F411 HydrophobicContact CE1-CE1 3.94Å; F388-F411 HydrophobicContact CE1-CG 4.35Å; F388-F411 HydrophobicContact CE1-CZ 4.46Å; F388-F411 HydrophobicContact CZ-CD1 4.23Å; F388-F411 AromaticContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE2 4.45Å; F388-F411 AromaticContact CZ-CZ 4Å; F388-F411 HydrophobicContact CZ-CZ 4Å; F388-F448 HydrophobicContact CB-CD1 4.22Å; F388-F448 HydrophobicContact CB-CE1 4.12Å; F388-F448 HydrophobicContact CD1-CB 4.07Å; F388-F448 AromaticContact CD1-CD1 3.71Å; F388-F448 HydrophobicContact CD1-CD1 3.71Å; F388-F448 HydrophobicContact CD1-CE1 4.28Å; F388-F448 AromaticContact CD1-CG 3.89Å; F388-F448 HydrophobicContact CD1-CG 3.89Å; F388-F448 AromaticContact CD2-CD1 3.87Å; F388-F448 HydrophobicContact CD2-CD1 3.87Å; F388-F448 HydrophobicContact CD2-CD2 4.24Å; F388-F448 AromaticContact CD2-CE1 3.63Å; F388-F448 HydrophobicContact CD2-CE1 3.63Å; F388-F448 HydrophobicContact CD2-CE2 4.05Å; F388-F448 HydrophobicContact CD2-CG 4.16Å; F388-F448 AromaticContact CD2-CZ 3.73Å; F388-F448 HydrophobicContact CD2-CZ 3.73Å; F388-F448 HydrophobicContact CE1-CB 3.61Å; F388-F448 AromaticContact CE1-CD1 3.98Å; F388-F448 HydrophobicContact CE1-CD1 3.98Å; F388-F448 HydrophobicContact CE1-CD2 4.12Å; F388-F448 AromaticContact CE1-CG 3.65Å; F388-F448 HydrophobicContact CE1-CG 3.65Å; F388-F448 HydrophobicContact CE2-CD1 4.12Å; F388-F448 AromaticContact CE2-CD2 3.69Å; F388-F448 HydrophobicContact CE2-CD2 3.69Å; F388-F448 HydrophobicContact CE2-CE1 4.09Å; F388-F448 AromaticContact CE2-CE2 3.68Å; F388-F448 HydrophobicContact CE2-CE2 3.68Å; F388-F448 AromaticContact CE2-CG 3.92Å; F388-F448 HydrophobicContact CE2-CG 3.92Å; F388-F448 AromaticContact CE2-CZ 3.88Å; F388-F448 HydrophobicContact CE2-CZ 3.88Å; F388-F448 AromaticContact CG-CD1 3.65Å; F388-F448 HydrophobicContact CG-CD1 3.65Å; F388-F448 AromaticContact CG-CE1 3.74Å; F388-F448 HydrophobicContact CG-CE1 3.74Å; F388-F448 HydrophobicContact CG-CG 4.14Å; F388-F448 HydrophobicContact CG-CZ 4.32Å; F388-F448 HydrophobicContact CZ-CB 3.96Å; F388-F448 HydrophobicContact CZ-CD1 4.17Å; F388-F448 AromaticContact CZ-CD2 3.63Å; F388-F448 HydrophobicContact CZ-CD2 3.63Å; F388-F448 HydrophobicContact CZ-CE2 4.12Å; F388-F448 AromaticContact CZ-CG 3.66Å; F388-F448 HydrophobicContact CZ-CG 3.66Å; F388-V460 HydrophobicContact CB-CG1 3.74Å; F388-V460 HydrophobicContact CD2-CG1 4.03Å; F388-V460 HydrophobicContact CG-CG1 4.38Å; F388-W464 HydrophobicContact CD2-CB 4.38Å; F388-W464 HydrophobicContact CE2-CB 4.2Å; F388-W464 AromaticContact CE2-CE3 3.85Å; F388-W464 HydrophobicContact CE2-CE3 3.85Å; F388-W464 HydrophobicContact CZ-CE3 4.04Å; F388-W464 HydrophobicContact CZ-CZ3 4.49Å; F388-I467 HydrophobicContact CE2-CD1 4.09Å; F388-I467 HydrophobicContact CZ-CD1 4.1Å
389E98.9Very high98.8Very high42 Ų4253.4 Ų53.420%0.19624%0.242CC..Hα-helixtrans-52.7-48.9173.9178.6-173.9-152.100111.6S385 H386 L391 V392 L393 I400 V404 V409S385-E389 PolarHBondContact O-N 2.94Å; H386-E389 IonicContact CE1-OE2 3.19Å; H386-E389 IonicContact CG-OE2 3.76Å; H386-E389 IonicContact ND1-OE2 2.95Å; H386-E389 PolarHBondContact ND1-OE2 2.89Å; H386-E389 PolarHBondContact O-N 3.39Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.28Å; E389-V392 PolarHBondContact O-N 2.89Å; E389-L393 HydrophobicContact CG-CD1 4.02Å; E389-L393 WeakPolarHBondContact O-CG 3.35Å; E389-L393 PolarHBondContact O-N 2.86Å; E389-I400 HydrophobicContact CG-CD1 4.24Å; E389-I400 HydrophobicContact CG-CG1 4.42Å; E389-V404 HydrophobicContact CB-CG2 4.15Å; E389-V404 HydrophobicContact CG-CB 4.42Å; E389-V404 HydrophobicContact CG-CG2 3.87Å; E389-V404 WeakPolarHBondContact OE1-CG2 3.47Å; E389-V409 HydrophobicContact CB-CG2 4.39Å
390H98.8Very high98.8Very high110 Ų11052.3 Ų52.351%0.50924%0.241SC..Hα-helixtrans-59.5-40.6177.8-175.669.8000112.5H386 F388 L393 Q394H386-H390 WeakPolarHBondContact O-CB 3.29Å; H386-H390 PolarHBondContact O-N 3.4Å; F388-H390 VanDerWaalsContact C-N 3.32Å; F388-H390 PolarHBondContact O-N 3.22Å; H390-L393 PolarHBondContact O-N 2.79Å; H390-Q394 PolarHBondContact NE2-NE2 3.03Å; H390-Q394 WeakPolarHBondContact O-CG 3.38Å; H390-Q394 PolarHBondContact O-N 3.35Å
391L98.9Very high98.7Very high30 Ų3051.7 Ų51.716%0.15724%0.241CC..Hα-helixtrans-64.8-39.3177.1-70.9166.6000112Q387 F388 E389 Q394 V460 K461 W464Q387-L391 WeakPolarHBondContact O-CG 3.29Å; Q387-L391 PolarHBondContact O-N 2.98Å; F388-L391 WeakPolarHBondContact O-CB 3.37Å; F388-L391 PolarHBondContact O-N 2.82Å; F388-L391 VanDerWaalsContact O-N 3.11Å; E389-L391 VanDerWaalsContact C-N 3.3Å; E389-L391 PolarHBondContact O-N 3.28Å; L391-Q394 PolarHBondContact O-N 2.99Å; L391-V460 HydrophobicContact CD1-CG1 4.42Å; L391-K461 HydrophobicContact CD1-CG 4.4Å; L391-W464 HydrophobicContact CB-CB 4.5Å; L391-W464 HydrophobicContact CB-CD2 4.08Å; L391-W464 HydrophobicContact CB-CG 3.8Å; L391-W464 HydrophobicContact CD1-CB 4.03Å; L391-W464 HydrophobicContact CD1-CG 4.13Å; L391-W464 HydrophobicContact CG-CG 4.44Å; L391-W464 VanDerWaalsContact O-CZ2 3.25Å; L391-W464 WeakPolarHBondContact O-CZ2 3.46Å
392V98.9Very high98.7Very high0 Ų052.6 Ų52.60%025%0.249CC..Hα-helixtrans-64.9-45.4175.8176.10000111F388 E389 Q394 D395 F398 I400 F411 W464F388-V392 HydrophobicContact CD1-CG2 3.93Å; F388-V392 HydrophobicContact CE1-CG2 3.52Å; F388-V392 HydrophobicContact CZ-CG2 3.86Å; F388-V392 WeakPolarHBondContact O-CG2 3.27Å; F388-V392 PolarHBondContact O-N 3.48Å; E389-V392 PolarHBondContact O-N 2.89Å; V392-Q394 PolarHBondContact O-N 3.16Å; V392-D395 PolarHBondContact O-N 3.5Å; V392-D395 VanDerWaalsContact O-N 3.11Å; V392-F398 HydrophobicContact CG1-CB 3.77Å; V392-I400 HydrophobicContact CB-CD1 3.95Å; V392-I400 HydrophobicContact CG1-CD1 3.68Å; V392-I400 HydrophobicContact CG1-CG1 4.29Å; V392-I400 HydrophobicContact CG2-CD1 4.48Å; V392-F411 HydrophobicContact CG1-CB 4.04Å; V392-F411 HydrophobicContact CG1-CD2 4.45Å; V392-F411 HydrophobicContact CG2-CB 4.49Å; V392-F411 HydrophobicContact CG2-CD2 4.35Å; V392-F411 HydrophobicContact CG2-CG 4.39Å; V392-W464 HydrophobicContact CB-CH2 4.22Å; V392-W464 HydrophobicContact CB-CZ3 4.29Å; V392-W464 HydrophobicContact CG1-CH2 4.47Å; V392-W464 HydrophobicContact CG2-CE3 3.98Å; V392-W464 HydrophobicContact CG2-CH2 3.98Å; V392-W464 HydrophobicContact CG2-CZ3 3.55Å
393L98.6Very high98.6Very high108 Ų10859.1 Ų59.157%0.56528%0.279SS*.Hα-helixtrans-66.3-22.3-178.7-71.2172.4000113.7E389 H390 D395 I400E389-L393 HydrophobicContact CG-CD1 4.02Å; E389-L393 WeakPolarHBondContact O-CG 3.35Å; E389-L393 PolarHBondContact O-N 2.86Å; H390-L393 PolarHBondContact O-N 2.79Å; L393-D395 VanDerWaalsContact C-N 3.28Å; L393-I400 HydrophobicContact CD2-CG1 3.73Å; L393-I400 HydrophobicContact CG-CG1 4.01Å
394Q98.6Very high98.6Very high125 Ų12553.3 Ų53.358%0.58426%0.257SS*.THydrogen-bonded Turntrans-76.2-13174.6-75.7-179.6-32.600113.7H390 L391 V392H390-Q394 PolarHBondContact NE2-NE2 3.03Å; H390-Q394 WeakPolarHBondContact O-CG 3.38Å; H390-Q394 PolarHBondContact O-N 3.35Å; L391-Q394 PolarHBondContact O-N 2.99Å; V392-Q394 PolarHBondContact O-N 3.16Å
395D98.7Very high98.5Very high25 Ų2554.5 Ų54.513%0.13426%0.263CS..  trans-109.8104.8-178.9-170.4-29.6000110.1V392 L393 R397 F398 W464 S468V392-D395 PolarHBondContact O-N 3.5Å; V392-D395 VanDerWaalsContact O-N 3.11Å; L393-D395 VanDerWaalsContact C-N 3.28Å; D395-R397 PolarHBondContact O-N 2.91Å; D395-R397 WeakPolarHBondContact OD1-CB 3.46Å; D395-R397 WeakPolarHBondContact OD1-CG 3.36Å; D395-R397 IonicContact OD1-CZ 3.66Å; D395-R397 PolarHBondContact OD1-N 2.92Å; D395-R397 IonicContact OD1-NE 2.81Å; D395-R397 PolarHBondContact OD1-NE 2.87Å; D395-R397 IonicContact OD1-NH2 3.65Å; D395-R397 IonicContact OD2-CZ 3.45Å; D395-R397 IonicContact OD2-NE 3.41Å; D395-R397 PolarHBondContact OD2-NE 3.42Å; D395-R397 IonicContact OD2-NH2 2.68Å; D395-R397 PolarHBondContact OD2-NH2 3.44Å; D395-F398 HydrophobicContact CB-CD2 3.99Å; D395-F398 PolarHBondContact O-N 3.39Å; D395-W464 HydrophobicContact CB-CH2 4.15Å; D395-W464 HydrophobicContact CB-CZ2 3.63Å; D395-S468 PolarHBondContact OD2-OG 3.19Å
396E98.2Very high98.5Very high169 Ų16954.5 Ų54.579%0.7926%0.264SS*.THydrogen-bonded Turntrans-60.2-15-172.6-63-175.4169.300114.3F398 K414E396-F398 VanDerWaalsContact C-N 3.27Å; E396-F398 PolarHBondContact O-N 3.42Å; E396-K414 WeakPolarHBondContact O-CD 3.28Å; E396-K414 WeakPolarHBondContact O-CE 3.17Å; E396-K414 PolarHBondContact O-NZ 3.27Å
397R98.6Very high98.5Very high69 Ų6950.9 Ų50.926%0.2625%0.247SC..THydrogen-bonded Turntrans-72.7-21.5176.7-57.3175.7-65.7173.1-0.1112.5D395 L413 K414 S468 T472 L475D395-R397 PolarHBondContact O-N 2.91Å; D395-R397 WeakPolarHBondContact OD1-CB 3.46Å; D395-R397 WeakPolarHBondContact OD1-CG 3.36Å; D395-R397 IonicContact OD1-CZ 3.66Å; D395-R397 PolarHBondContact OD1-N 2.92Å; D395-R397 IonicContact OD1-NE 2.81Å; D395-R397 PolarHBondContact OD1-NE 2.87Å; D395-R397 IonicContact OD1-NH2 3.65Å; D395-R397 IonicContact OD2-CZ 3.45Å; D395-R397 IonicContact OD2-NE 3.41Å; D395-R397 PolarHBondContact OD2-NE 3.42Å; D395-R397 IonicContact OD2-NH2 2.68Å; D395-R397 PolarHBondContact OD2-NH2 3.44Å; R397-L413 HydrophobicContact CB-CD2 4Å; R397-K414 PolarHBondContact O-N 3.41Å; R397-S468 PolarHBondContact NH2-O 3.43Å; R397-S468 PolarHBondContact NH2-OG 3.42Å; R397-T472 PolarHBondContact NH1-OG1 2.66Å; R397-L475 HydrophobicContact CG-CD1 4.44Å
398F98.8Very high98.5Very high8 Ų848.9 Ų48.94%0.03524%0.238CC..EExtended strand (participates in β ladder)trans-107163.9-176.1-65.4-94.7000112.3V392 D395 E396 F411 R412 L413 K414 L423 W464 I467 A471V392-F398 HydrophobicContact CG1-CB 3.77Å; D395-F398 HydrophobicContact CB-CD2 3.99Å; D395-F398 PolarHBondContact O-N 3.39Å; E396-F398 VanDerWaalsContact C-N 3.27Å; E396-F398 PolarHBondContact O-N 3.42Å; F398-F411 AromaticContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CE2 4.11Å; F398-F411 HydrophobicContact CE1-CD2 4.21Å; F398-F411 HydrophobicContact CE1-CE2 4.01Å; F398-R412 CarbonylContact C-O 3.54Å; F398-R412 VanDerWaalsContact CA-O 3.25Å; F398-R412 WeakPolarHBondContact CA-O 3.16Å; F398-L413 HydrophobicContact CD1-CD2 3.77Å; F398-L413 HydrophobicContact CD1-CG 4.06Å; F398-L413 HydrophobicContact CD2-CD2 4.02Å; F398-L413 HydrophobicContact CE1-CD2 3.49Å; F398-L413 VanDerWaalsContact CE1-CD2 3.49Å; F398-L413 HydrophobicContact CE1-CG 3.68Å; F398-L413 HydrophobicContact CE2-CD2 3.76Å; F398-L413 HydrophobicContact CG-CD2 4.05Å; F398-L413 HydrophobicContact CZ-CD2 3.5Å; F398-L413 VanDerWaalsContact CZ-CD2 3.5Å; F398-L413 HydrophobicContact CZ-CG 4.1Å; F398-K414 VanDerWaalsContact O-CE 3.29Å; F398-K414 WeakPolarHBondContact O-CE 3.34Å; F398-L423 HydrophobicContact CE1-CD2 3.93Å; F398-L423 HydrophobicContact CZ-CD2 4.46Å; F398-W464 HydrophobicContact CD1-CH2 4.44Å; F398-W464 AromaticContact CD2-CH2 3.64Å; F398-W464 HydrophobicContact CD2-CH2 3.64Å; F398-W464 HydrophobicContact CD2-CZ2 4.43Å; F398-W464 AromaticContact CE2-CH2 3.73Å; F398-W464 HydrophobicContact CE2-CH2 3.73Å; F398-W464 HydrophobicContact CE2-CZ2 4.47Å; F398-W464 HydrophobicContact CE2-CZ3 4.41Å; F398-W464 AromaticContact CG-CH2 4Å; F398-W464 HydrophobicContact CG-CH2 4Å; F398-W464 HydrophobicContact CZ-CH2 4.16Å; F398-W464 HydrophobicContact CZ-CZ3 4.4Å; F398-I467 HydrophobicContact CE1-CG2 4.19Å; F398-I467 HydrophobicContact CZ-CG2 4.1Å; F398-A471 HydrophobicContact CE2-CB 4.15Å; F398-A471 HydrophobicContact CZ-CB 3.57Å
399E98.6Very high98.5Very high60 Ų6048.9 Ų48.928%0.2824%0.238SC..EExtended strand (participates in β ladder)trans-140.3146.9171.262.3-179177.400110.9F411 R412 K414E399-F411 VanDerWaalsContact O-CA 3.29Å; E399-F411 WeakPolarHBondContact O-CA 3.36Å; E399-R412 HydrophobicContact CG-CG 3.52Å; E399-R412 PolarHBondContact N-O 3.39Å; E399-R412 PolarHBondContact O-N 3.47Å; E399-R412 VanDerWaalsContact OE1-CD 3.24Å; E399-R412 WeakPolarHBondContact OE1-CD 3.07Å; E399-R412 WeakPolarHBondContact OE1-CG 3.13Å; E399-R412 IonicContact OE1-NE 2.97Å; E399-K414 HydrophobicContact CB-CG 4.22Å; E399-K414 HydrophobicContact CG-CG 4.21Å
400I98.6Very high98.5Very high41 Ų4147 Ų4721%0.2123%0.229CC..EExtended strand (participates in β ladder)trans-83.4131.8169.5-62.1-64.8000108.3E389 V392 L393 A402 V404 V409 F411E389-I400 HydrophobicContact CG-CD1 4.24Å; E389-I400 HydrophobicContact CG-CG1 4.42Å; V392-I400 HydrophobicContact CB-CD1 3.95Å; V392-I400 HydrophobicContact CG1-CD1 3.68Å; V392-I400 HydrophobicContact CG1-CG1 4.29Å; V392-I400 HydrophobicContact CG2-CD1 4.48Å; L393-I400 HydrophobicContact CD2-CG1 3.73Å; L393-I400 HydrophobicContact CG-CG1 4.01Å; I400-A402 WeakPolarHBondContact CG2-O 3.43Å; I400-V404 HydrophobicContact CG2-CG2 4.36Å; I400-V409 HydrophobicContact CD1-CG1 3.62Å; I400-F411 HydrophobicContact CD1-CB 4.22Å
401C98.1Very high98.5Very high25 Ų2541.8 Ų41.817%0.16921%0.205CC..  trans-101.4-12.5-170.4-62.70000114.4C410 R412 L440 V445C401-C410 HydrophobicContact CB-CB 4.29Å; C401-C410 PolarHBondContact N-O 3.37Å; C401-R412 VanDerWaalsContact SG-CD 3.59Å; C401-R412 WeakPolarHBondContact SG-CG 3.15Å; C401-L440 HydrophobicContact CB-CD1 3.93Å; C401-V445 HydrophobicContact CB-CG1 3.86Å; C401-V445 HydrophobicContact CB-CG2 3.91Å
402A97.5Very high98.5Very high19 Ų1940.8 Ų40.816%0.15720%0.199CC..SBendtrans-157.7155.7177.800000109.1F215 C248 I400 V404 C410 L440F215-A402 HydrophobicContact CD2-CB 4.48Å; F215-A402 HydrophobicContact CE2-CB 4.46Å; C248-A402 HydrophobicContact CB-CB 3.64Å; I400-A402 WeakPolarHBondContact CG2-O 3.43Å; A402-V404 PolarHBondContact O-N 2.66Å; A402-C410 HydrophobicContact CB-CB 4.32Å; A402-L440 HydrophobicContact CB-CD1 4.27Å
403E97.5Very high98.5Very high148 Ų14840.8 Ų40.869%0.69220%0.199SC*.  trans-57.6134177.4-173.2-179.6-170.100111.7I405E403-I405 HydrophobicContact CB-CG1 4.34Å; E403-I405 HydrophobicContact CG-CG1 3.91Å; E403-I405 PolarHBondContact O-N 2.89Å
404V98.5Very high98.4Very high7 Ų741 Ų414%0.04220%0.195CC..  trans-88.698177.1-178.50000109H386 E389 I400 A402 V409H386-V404 PolarHBondContact CE1-O 2.88Å; E389-V404 HydrophobicContact CB-CG2 4.15Å; E389-V404 HydrophobicContact CG-CB 4.42Å; E389-V404 HydrophobicContact CG-CG2 3.87Å; E389-V404 WeakPolarHBondContact OE1-CG2 3.47Å; I400-V404 HydrophobicContact CG2-CG2 4.36Å; A402-V404 PolarHBondContact O-N 2.66Å; V404-V409 HydrophobicContact CG1-CG2 3.87Å; V404-V409 HydrophobicContact CG2-CB 4.31Å; V404-V409 HydrophobicContact CG2-CG1 3.96Å; V404-V409 HydrophobicContact CG2-CG2 3.99Å
405I97.8Very high98.3Very high36 Ų3637.5 Ų37.519%0.18519%0.193CC..  trans-96.5-41-177.3-57170.7000111.7F251 L287 E403F251-I405 HydrophobicContact CD2-CD1 3.59Å; F251-I405 HydrophobicContact CE2-CB 4.04Å; F251-I405 HydrophobicContact CE2-CD1 3.63Å; F251-I405 HydrophobicContact CE2-CG1 4.43Å; F251-I405 HydrophobicContact CE2-CG2 3.77Å; F251-I405 HydrophobicContact CZ-CG2 4.32Å; L287-I405 HydrophobicContact CD1-CG2 3.84Å; L287-I405 HydrophobicContact CD2-CG2 4.44Å; E403-I405 HydrophobicContact CB-CG1 4.34Å; E403-I405 HydrophobicContact CG-CG1 3.91Å; E403-I405 PolarHBondContact O-N 2.89Å
406L98.8Very high98.2Very high1 Ų138.6 Ų38.61%0.00520%0.203CC..SBendtrans-128.4-143.8-175-62.8-179.6000110.7F251 Y274 A275 A278 F284 W304 I382 S385 L408F251-L406 HydrophobicContact CZ-CD1 3.72Å; F251-L406 HydrophobicContact CZ-CG 4.25Å; Y274-L406 HydrophobicContact CE1-CB 4.28Å; Y274-L406 HydrophobicContact CE1-CD1 4.37Å; A275-L406 HydrophobicContact CB-CD1 3.55Å; A278-L406 HydrophobicContact CB-CD1 4.1Å; A278-L406 HydrophobicContact CB-CD2 3.89Å; F284-L406 HydrophobicContact CD1-CD2 4.05Å; F284-L406 HydrophobicContact CE1-CD2 4.3Å; F284-L406 HydrophobicContact CG-CD2 4.23Å; W304-L406 HydrophobicContact CH2-CB 4.04Å; W304-L406 HydrophobicContact CZ3-CB 4.26Å; W304-L406 HydrophobicContact CZ3-CD1 4.12Å; I382-L406 HydrophobicContact CD1-CD2 3.64Å; I382-L406 HydrophobicContact CG1-CD2 4.37Å; S385-L406 WeakPolarHBondContact CB-O 3.43Å; S385-L406 PolarHBondContact OG-O 2.87Å; L406-L408 VanDerWaalsContact C-N 3.26Å; L406-L408 PolarHBondContact O-N 3.31Å
407G98.5Very high98.2Very high0 Ų032.4 Ų32.40%018%0.175CC..SBendtrans-82.119.7-175.500000115.7Y274 A449 I450Y274-G407 WeakPolarHBondContact OH-CA 3.35Å; Y274-G407 PolarHBondContact OH-N 2.73Å; G407-A449 CarbonylContact O-C 3.56Å; G407-A449 WeakPolarHBondContact O-CA 3.44Å; G407-I450 PolarHBondContact O-N 3.04Å
408L98.9Very high98.2Very high4 Ų433.7 Ų33.72%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-122.2130.3179.3174.765.5000110.6F80 C249 L406 R447 A449F80-L408 HydrophobicContact CE1-CB 4.17Å; F80-L408 HydrophobicContact CE1-CD2 4.03Å; F80-L408 HydrophobicContact CZ-CD2 4.11Å; C249-L408 HydrophobicContact CB-CB 4.16Å; C249-L408 HydrophobicContact CB-CD2 3.8Å; L406-L408 VanDerWaalsContact C-N 3.26Å; L406-L408 PolarHBondContact O-N 3.31Å; L408-R447 HydrophobicContact CD1-CB 3.9Å; L408-R447 HydrophobicContact CD1-CG 4.4Å; L408-A449 HydrophobicContact CD1-CB 4.06Å
409V98.9Very high98.1Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-115.8126.9170-174.20000109.7S385 F388 E389 I400 V404 F448S385-V409 WeakPolarHBondContact O-CG2 3.26Å; F388-V409 HydrophobicContact CD1-CB 3.74Å; F388-V409 HydrophobicContact CD1-CG1 3.82Å; F388-V409 HydrophobicContact CD1-CG2 3.89Å; F388-V409 HydrophobicContact CE1-CB 4.14Å; F388-V409 HydrophobicContact CE1-CG1 4.06Å; E389-V409 HydrophobicContact CB-CG2 4.39Å; I400-V409 HydrophobicContact CD1-CG1 3.62Å; V404-V409 HydrophobicContact CG1-CG2 3.87Å; V404-V409 HydrophobicContact CG2-CB 4.31Å; V404-V409 HydrophobicContact CG2-CG1 3.96Å; V404-V409 HydrophobicContact CG2-CG2 3.99Å; V409-F448 HydrophobicContact CB-CB 4.45Å; V409-F448 PolarHBondContact N-O 3.44Å; V409-F448 PolarHBondContact O-N 3.11Å
410C98.9Very high98.1Very high2 Ų231 Ų311%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-104.7117.1175.4-78.60000109.3P247 C401 A402 V445 L446P247-C410 PolarHBondContact O-SG 3.12Å; C401-C410 HydrophobicContact CB-CB 4.29Å; C401-C410 PolarHBondContact N-O 3.37Å; A402-C410 HydrophobicContact CB-CB 4.32Å; C410-V445 HydrophobicContact CB-CG1 3.76Å; C410-L446 WeakPolarHBondContact CA-O 3.4Å
411F98.9Very high98.1Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-142.9162.6-173.676-71.2000111.7F388 V392 F398 E399 I400 L435 L446 F448 W464 I467F388-F411 AromaticContact CE1-CD1 3.87Å; F388-F411 HydrophobicContact CE1-CD1 3.87Å; F388-F411 AromaticContact CE1-CE1 3.94Å; F388-F411 HydrophobicContact CE1-CE1 3.94Å; F388-F411 HydrophobicContact CE1-CG 4.35Å; F388-F411 HydrophobicContact CE1-CZ 4.46Å; F388-F411 HydrophobicContact CZ-CD1 4.23Å; F388-F411 AromaticContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE2 4.45Å; F388-F411 AromaticContact CZ-CZ 4Å; F388-F411 HydrophobicContact CZ-CZ 4Å; V392-F411 HydrophobicContact CG1-CB 4.04Å; V392-F411 HydrophobicContact CG1-CD2 4.45Å; V392-F411 HydrophobicContact CG2-CB 4.49Å; V392-F411 HydrophobicContact CG2-CD2 4.35Å; V392-F411 HydrophobicContact CG2-CG 4.39Å; F398-F411 AromaticContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CE2 4.11Å; F398-F411 HydrophobicContact CE1-CD2 4.21Å; F398-F411 HydrophobicContact CE1-CE2 4.01Å; E399-F411 VanDerWaalsContact O-CA 3.29Å; E399-F411 WeakPolarHBondContact O-CA 3.36Å; I400-F411 HydrophobicContact CD1-CB 4.22Å; F411-L435 HydrophobicContact CZ-CD1 4.43Å; F411-L446 HydrophobicContact CD1-CB 4.15Å; F411-L446 HydrophobicContact CE1-CB 3.7Å; F411-L446 HydrophobicContact CE2-CB 4.5Å; F411-L446 HydrophobicContact CE2-CD2 4.38Å; F411-L446 HydrophobicContact CZ-CB 3.89Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 2.96Å; F411-L446 WeakPolarHBondContact O-CB 3.36Å; F411-L446 PolarHBondContact O-N 3.25Å; F411-F448 HydrophobicContact CD1-CB 4.45Å; F411-F448 HydrophobicContact CE1-CB 4.05Å; F411-W464 HydrophobicContact CE2-CZ3 4.45Å; F411-I467 HydrophobicContact CE2-CG2 3.99Å; F411-I467 HydrophobicContact CZ-CD1 4.08Å; F411-I467 HydrophobicContact CZ-CG2 4.28Å
412R98.7Very high98.1Very high9 Ų933.5 Ų33.53%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-154.3161.3175.468.7-178.3-78.8158.2-6.5110.9F398 E399 C401 G415 S416 N417 N420 K443 F444F398-R412 CarbonylContact C-O 3.54Å; F398-R412 VanDerWaalsContact CA-O 3.25Å; F398-R412 WeakPolarHBondContact CA-O 3.16Å; E399-R412 HydrophobicContact CG-CG 3.52Å; E399-R412 PolarHBondContact N-O 3.39Å; E399-R412 PolarHBondContact O-N 3.47Å; E399-R412 VanDerWaalsContact OE1-CD 3.24Å; E399-R412 WeakPolarHBondContact OE1-CD 3.07Å; E399-R412 WeakPolarHBondContact OE1-CG 3.13Å; E399-R412 IonicContact OE1-NE 2.97Å; C401-R412 VanDerWaalsContact SG-CD 3.59Å; C401-R412 WeakPolarHBondContact SG-CG 3.15Å; R412-G415 PolarHBondContact NH2-O 3.36Å; R412-S416 PolarHBondContact NH2-O 3.37Å; R412-N417 PolarHBondContact NH1-OD1 3.19Å; R412-N417 PolarHBondContact NH2-OD1 3.35Å; R412-N417 VanDerWaalsContact NH2-OD1 3.09Å; R412-N420 WeakPolarHBondContact CA-OD1 3.29Å; R412-N420 VanDerWaalsContact CB-OD1 3.28Å; R412-N420 WeakPolarHBondContact CB-OD1 3.34Å; R412-K443 VanDerWaalsContact NH1-CB 3.27Å; R412-F444 PolarHBondContact NH1-O 3.25Å
413L98.6Very high98.1Very high1 Ų132.6 Ų32.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-66.9138.7159.1-76.5172.4000109.5R397 F398 G415 L419 N420 L423 A471 L475R397-L413 HydrophobicContact CB-CD2 4Å; F398-L413 HydrophobicContact CD1-CD2 3.77Å; F398-L413 HydrophobicContact CD1-CG 4.06Å; F398-L413 HydrophobicContact CD2-CD2 4.02Å; F398-L413 HydrophobicContact CE1-CD2 3.49Å; F398-L413 VanDerWaalsContact CE1-CD2 3.49Å; F398-L413 HydrophobicContact CE1-CG 3.68Å; F398-L413 HydrophobicContact CE2-CD2 3.76Å; F398-L413 HydrophobicContact CG-CD2 4.05Å; F398-L413 HydrophobicContact CZ-CD2 3.5Å; F398-L413 VanDerWaalsContact CZ-CD2 3.5Å; F398-L413 HydrophobicContact CZ-CG 4.1Å; L413-G415 PolarHBondContact O-N 3.11Å; L413-L419 HydrophobicContact CB-CD2 4.1Å; L413-L419 HydrophobicContact CB-CG 4.49Å; L413-L419 HydrophobicContact CD1-CD1 4.4Å; L413-L419 HydrophobicContact CD1-CD2 4.1Å; L413-L419 HydrophobicContact CD1-CG 3.97Å; L413-N420 PolarHBondContact N-OD1 3.32Å; L413-N420 PolarHBondContact O-ND2 2.98Å; L413-L423 HydrophobicContact CD1-CB 4.28Å; L413-L423 HydrophobicContact CD1-CD2 3.7Å; L413-L423 HydrophobicContact CD1-CG 4.44Å; L413-L423 HydrophobicContact CG-CD2 3.82Å; L413-A471 HydrophobicContact CD1-CB 4.18Å; L413-A471 HydrophobicContact CD2-CB 4.11Å; L413-L475 HydrophobicContact CD2-CD1 4.47Å
414K97.8Very high98.2Very high111 Ų11126.2 Ų26.248%0.48315%0.147SC..SBendtrans-61.7133.1166.6-67.1176.9-178161.70108.5E396 R397 F398 E399E396-K414 WeakPolarHBondContact O-CD 3.28Å; E396-K414 WeakPolarHBondContact O-CE 3.17Å; E396-K414 PolarHBondContact O-NZ 3.27Å; R397-K414 PolarHBondContact O-N 3.41Å; F398-K414 VanDerWaalsContact O-CE 3.29Å; F398-K414 WeakPolarHBondContact O-CE 3.34Å; E399-K414 HydrophobicContact CB-CG 4.22Å; E399-K414 HydrophobicContact CG-CG 4.21Å
415G95.3Very high98.2Very high53 Ų5332 Ų3255%0.54617%0.171SC..SBendtrans124.5-156.5-174.400000112.6R412 L413R412-G415 PolarHBondContact NH2-O 3.36Å; L413-G415 PolarHBondContact O-N 3.11Å
416S96.6Very high98.2Very high48 Ų4831.9 Ų31.934%0.33617%0.174SC..  trans-73.1164-170.967.40000113.9R412 L419 N420R412-S416 PolarHBondContact NH2-O 3.37Å; S416-L419 PolarHBondContact OG-N 3.03Å; S416-N420 PolarHBondContact O-N 2.86Å; S416-N420 PolarHBondContact O-ND2 2.85Å
417N98.4Very high98.1Very high39 Ų3931.9 Ų31.921%0.20917%0.173CC..Hα-helixtrans-67.2-31.1171.9-72.5-18.1000111.2R412 N420 K421 E442 F444R412-N417 PolarHBondContact NH1-OD1 3.19Å; R412-N417 PolarHBondContact NH2-OD1 3.35Å; R412-N417 VanDerWaalsContact NH2-OD1 3.09Å; N417-N420 PolarHBondContact O-N 3.39Å; N417-K421 VanDerWaalsContact O-CG 3.32Å; N417-K421 WeakPolarHBondContact O-CG 3.16Å; N417-K421 PolarHBondContact O-N 3.04Å; N417-E442 PolarHBondContact ND2-O 3.07Å; N417-F444 HydrophobicContact CB-CB 3.79Å; N417-F444 PolarHBondContact OD1-N 3.44Å
418E97.8Very high98.1Very high96 Ų9633.4 Ų33.445%0.44918%0.182SC..Hα-helixtrans-65.2-41.7-179.7-70.652.8-120.400110.7N420 K421 A422 W478E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.36Å; E418-K421 PolarHBondContact O-N 3.4Å; E418-K421 IonicContact OE1-NZ 3.69Å; E418-K421 PolarHBondContact OE1-NZ 2.81Å; E418-A422 WeakPolarHBondContact O-CB 3.04Å; E418-A422 PolarHBondContact O-N 2.95Å; E418-W478 HydrophobicContact CB-CH2 4.17Å; E418-W478 HydrophobicContact CB-CZ2 4.5Å
419L97.5Very high98Very high10 Ų1038.6 Ų38.65%0.05221%0.206CC..Hα-helixtrans-60-42.9172.9-179.464.7000111.4L413 S416 A422 L423 L474 L475 W478L413-L419 HydrophobicContact CB-CD2 4.1Å; L413-L419 HydrophobicContact CB-CG 4.49Å; L413-L419 HydrophobicContact CD1-CD1 4.4Å; L413-L419 HydrophobicContact CD1-CD2 4.1Å; L413-L419 HydrophobicContact CD1-CG 3.97Å; S416-L419 PolarHBondContact OG-N 3.03Å; L419-A422 PolarHBondContact O-N 3.17Å; L419-L423 PolarHBondContact O-N 3.33Å; L419-L474 HydrophobicContact CD1-CD2 3.75Å; L419-L474 HydrophobicContact CD1-CG 3.94Å; L419-L475 HydrophobicContact CD1-CD2 4.19Å; L419-L475 HydrophobicContact CD2-CD2 3.96Å; L419-W478 HydrophobicContact CD1-CD2 3.91Å; L419-W478 HydrophobicContact CD1-CE3 3.92Å; L419-W478 HydrophobicContact CD1-CG 4.23Å; L419-W478 HydrophobicContact CD1-CZ3 4.42Å
420N98.4Very high97.8Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-72.5-34.6179.5-77.9-77.9000113.3R412 L413 S416 N417 E418 A422 L423 L424 F444 L446R412-N420 WeakPolarHBondContact CA-OD1 3.29Å; R412-N420 VanDerWaalsContact CB-OD1 3.28Å; R412-N420 WeakPolarHBondContact CB-OD1 3.34Å; L413-N420 PolarHBondContact N-OD1 3.32Å; L413-N420 PolarHBondContact O-ND2 2.98Å; S416-N420 PolarHBondContact O-N 2.86Å; S416-N420 PolarHBondContact O-ND2 2.85Å; N417-N420 PolarHBondContact O-N 3.39Å; E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.36Å; N420-A422 VanDerWaalsContact C-N 3.33Å; N420-L423 PolarHBondContact O-N 3.18Å; N420-L424 WeakPolarHBondContact O-CB 3.49Å; N420-L424 PolarHBondContact O-N 3.32Å; N420-F444 HydrophobicContact CB-CD1 3.77Å; N420-F444 HydrophobicContact CB-CE1 4.37Å; N420-L446 HydrophobicContact CB-CD1 4.01Å
421K98.5Very high97.6Very high93 Ų9342.4 Ų42.440%0.40423%0.229SC..Hα-helixtrans-60.9-43.9169.3-71.3166.4-171.6163.50110.6N417 E418 L424 K425 F444N417-K421 VanDerWaalsContact O-CG 3.32Å; N417-K421 WeakPolarHBondContact O-CG 3.16Å; N417-K421 PolarHBondContact O-N 3.04Å; E418-K421 PolarHBondContact O-N 3.4Å; E418-K421 IonicContact OE1-NZ 3.69Å; E418-K421 PolarHBondContact OE1-NZ 2.81Å; K421-L424 PolarHBondContact O-N 3.49Å; K421-K425 WeakPolarHBondContact O-CB 3.43Å; K421-K425 PolarHBondContact O-N 3.27Å; K421-F444 HydrophobicContact CB-CE1 4.48Å; K421-F444 HydrophobicContact CB-CZ 4.4Å; K421-F444 HydrophobicContact CG-CD1 4.13Å; K421-F444 HydrophobicContact CG-CD2 3.84Å; K421-F444 HydrophobicContact CG-CE1 3.96Å; K421-F444 HydrophobicContact CG-CE2 3.66Å; K421-F444 HydrophobicContact CG-CG 4.05Å; K421-F444 HydrophobicContact CG-CZ 3.7Å
422A98.3Very high97.5Very high26 Ų2648.2 Ų48.222%0.21526%0.255CS..Hα-helixtrans-65.8-39.9177.500000112.5E418 L419 N420 K425 S426 L474 W478E418-A422 WeakPolarHBondContact O-CB 3.04Å; E418-A422 PolarHBondContact O-N 2.95Å; L419-A422 PolarHBondContact O-N 3.17Å; N420-A422 VanDerWaalsContact C-N 3.33Å; A422-K425 PolarHBondContact O-N 3.02Å; A422-S426 WeakPolarHBondContact O-CB 3.48Å; A422-S426 PolarHBondContact O-N 3.28Å; A422-S426 PolarHBondContact O-OG 3.32Å; A422-L474 HydrophobicContact CB-CD1 4Å; A422-L474 HydrophobicContact CB-CD2 4.11Å; A422-W478 HydrophobicContact CB-CZ3 4.11Å
423L98.6Very high97.5Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-62.1-50.5174.2177.561.5000111.4F398 L413 L419 N420 K425 S426 I427 L446 L470 A471 L474F398-L423 HydrophobicContact CE1-CD2 3.93Å; F398-L423 HydrophobicContact CZ-CD2 4.46Å; L413-L423 HydrophobicContact CD1-CB 4.28Å; L413-L423 HydrophobicContact CD1-CD2 3.7Å; L413-L423 HydrophobicContact CD1-CG 4.44Å; L413-L423 HydrophobicContact CG-CD2 3.82Å; L419-L423 PolarHBondContact O-N 3.33Å; N420-L423 PolarHBondContact O-N 3.18Å; L423-K425 VanDerWaalsContact C-N 3.29Å; L423-K425 PolarHBondContact O-N 2.88Å; L423-S426 PolarHBondContact O-N 2.77Å; L423-I427 HydrophobicContact CD1-CD1 3.97Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.44Å; L423-I427 HydrophobicContact CG-CD1 3.79Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 3.09Å; L423-L446 HydrophobicContact CD2-CD2 4.06Å; L423-L446 HydrophobicContact CG-CD2 4.24Å; L423-L470 HydrophobicContact CD1-CB 4.21Å; L423-A471 HydrophobicContact CD1-CB 4.09Å; L423-L474 HydrophobicContact CB-CD2 3.79Å; L423-L474 HydrophobicContact CD1-CD2 4.5Å
424L98.6Very high97.5Very high15 Ų1548.2 Ų48.28%0.07926%0.255CS..Hα-helixtrans-58.6-43.4178.4177.867.8000111.6N420 K421 I427 N428 L435 P437 F444 L446N420-L424 WeakPolarHBondContact O-CB 3.49Å; N420-L424 PolarHBondContact O-N 3.32Å; K421-L424 PolarHBondContact O-N 3.49Å; L424-I427 PolarHBondContact O-N 3.1Å; L424-N428 PolarHBondContact O-N 3.41Å; L424-L435 HydrophobicContact CD1-CB 3.67Å; L424-P437 HydrophobicContact CD2-CB 3.77Å; L424-P437 HydrophobicContact CD2-CG 3.56Å; L424-F444 HydrophobicContact CB-CE1 4.43Å; L424-F444 HydrophobicContact CD2-CE1 4.21Å; L424-F444 HydrophobicContact CD2-CZ 3.84Å; L424-L446 HydrophobicContact CB-CD2 4.35Å; L424-L446 HydrophobicContact CB-CG 4.3Å; L424-L446 HydrophobicContact CD1-CD2 4.46Å; L424-L446 HydrophobicContact CD1-CG 4.36Å
425K98Very high97.5Very high127 Ų12743 Ų4355%0.55223%0.232SC*.Hα-helixtrans-56.8-50.6175.6-179.3179.2172.3-177.60110.5K421 A422 L423 I427 N428 E429K421-K425 WeakPolarHBondContact O-CB 3.43Å; K421-K425 PolarHBondContact O-N 3.27Å; A422-K425 PolarHBondContact O-N 3.02Å; L423-K425 VanDerWaalsContact C-N 3.29Å; L423-K425 PolarHBondContact O-N 2.88Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 3.14Å; K425-N428 PolarHBondContact O-N 3.47Å; K425-E429 VanDerWaalsContact CE-CD 3.46Å; K425-E429 WeakPolarHBondContact CE-OE1 3.17Å; K425-E429 HydrophobicContact CG-CG 4.25Å; K425-E429 IonicContact NZ-OE1 2.81Å; K425-E429 WeakPolarHBondContact O-CB 3.48Å; K425-E429 WeakPolarHBondContact O-CG 3.3Å; K425-E429 PolarHBondContact O-N 3.29Å
426S97.9Very high97.6Very high35 Ų3541.3 Ų41.325%0.24521%0.211CC..Hα-helixtrans-59.4-41179.3-54.30000112.5A422 L423 A430A422-S426 WeakPolarHBondContact O-CB 3.48Å; A422-S426 PolarHBondContact O-N 3.28Å; A422-S426 PolarHBondContact O-OG 3.32Å; L423-S426 PolarHBondContact O-N 2.77Å; S426-A430 WeakPolarHBondContact O-CB 3.27Å; S426-A430 PolarHBondContact O-N 2.85Å; S426-A430 VanDerWaalsContact O-N 3.07Å
427I98.2Very high97.7Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-62-50177-69.6162.9000111.1L423 L424 K425 A430 K431 I433 L435 L446 I467 L470L423-I427 HydrophobicContact CD1-CD1 3.97Å; L423-I427 HydrophobicContact CD1-CG1 4.23Å; L423-I427 HydrophobicContact CD2-CD1 4.44Å; L423-I427 HydrophobicContact CG-CD1 3.79Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 WeakPolarHBondContact O-CG1 3.45Å; L423-I427 PolarHBondContact O-N 3.09Å; L424-I427 PolarHBondContact O-N 3.1Å; K425-I427 VanDerWaalsContact C-N 3.32Å; K425-I427 PolarHBondContact O-N 3.14Å; I427-A430 PolarHBondContact O-N 3.08Å; I427-K431 PolarHBondContact O-N 2.91Å; I427-I433 HydrophobicContact CG2-CD1 3.74Å; I427-I433 HydrophobicContact CG2-CG1 3.46Å; I427-I433 VanDerWaalsContact CG2-CG1 3.46Å; I427-L435 HydrophobicContact CD1-CD1 4Å; I427-L435 HydrophobicContact CG2-CD1 4.06Å; I427-L435 HydrophobicContact CG2-CG 4.25Å; I427-L446 HydrophobicContact CD1-CD2 3.86Å; I427-I467 HydrophobicContact CD1-CG1 3.94Å; I427-I467 HydrophobicContact CD1-CG2 4.27Å; I427-I467 HydrophobicContact CG1-CG1 4.39Å; I427-L470 HydrophobicContact CB-CD1 4.26Å; I427-L470 HydrophobicContact CG1-CD1 3.71Å
428N97.3Very high97.7Very high33 Ų3340.5 Ų40.518%0.17621%0.207CC..Hα-helixtrans-72.9-31.8-177-77.4-29.4000112.4L424 K425 K431 H434 L435L424-N428 PolarHBondContact O-N 3.41Å; K425-N428 PolarHBondContact O-N 3.47Å; N428-K431 VanDerWaalsContact O-CG 3.28Å; N428-K431 WeakPolarHBondContact O-CG 3.34Å; N428-K431 PolarHBondContact O-N 3.11Å; N428-H434 PolarHBondContact OD1-ND1 3.02Å; N428-L435 PolarHBondContact ND2-O 3.46Å; N428-L435 PolarHBondContact OD1-N 2.87Å; N428-L435 VanDerWaalsContact OD1-N 3.11Å; N428-L435 PolarHBondContact OD1-O 3.49Å
429E96Very high97.6Very high112 Ų11241.1 Ų41.152%0.52321%0.21SC..Hα-helixtrans-68.4-33.5173.8-76.1178.4160.800112.5K425 K431K425-E429 VanDerWaalsContact CE-CD 3.46Å; K425-E429 WeakPolarHBondContact CE-OE1 3.17Å; K425-E429 HydrophobicContact CG-CG 4.25Å; K425-E429 IonicContact NZ-OE1 2.81Å; K425-E429 WeakPolarHBondContact O-CB 3.48Å; K425-E429 WeakPolarHBondContact O-CG 3.3Å; K425-E429 PolarHBondContact O-N 3.29Å; E429-K431 WeakPolarHBondContact O-CG 3.29Å; E429-K431 PolarHBondContact O-N 3.21Å
430A96.3Very high97.6Very high39 Ų3940.9 Ų40.932%0.32221%0.209SC..Hα-helixtrans-68.1-19173.100000112.9S426 I427 K432 L470S426-A430 WeakPolarHBondContact O-CB 3.27Å; S426-A430 PolarHBondContact O-N 2.85Å; S426-A430 VanDerWaalsContact O-N 3.07Å; I427-A430 PolarHBondContact O-N 3.08Å; A430-K432 PolarHBondContact O-N 3.08Å; A430-L470 HydrophobicContact CB-CD1 4.38Å
431K95.1Very high97.2Very high43 Ų4347.1 Ų47.119%0.18723%0.232CC..THydrogen-bonded Turntrans56.115.8173.5-61.6156.9175.2158.40115Q28 D32 I427 N428 E429Q28-K431 HydrophobicContact CG-CB 3.71Å; D32-K431 HydrophobicContact CB-CD 4.39Å; D32-K431 IonicContact OD1-NZ 3.79Å; D32-K431 PolarHBondContact OD1-NZ 3.07Å; D32-K431 IonicContact OD2-NZ 2.81Å; D32-K431 PolarHBondContact OD2-NZ 2.94Å; I427-K431 PolarHBondContact O-N 2.91Å; N428-K431 VanDerWaalsContact O-CG 3.28Å; N428-K431 WeakPolarHBondContact O-CG 3.34Å; N428-K431 PolarHBondContact O-N 3.11Å; E429-K431 WeakPolarHBondContact O-CG 3.29Å; E429-K431 PolarHBondContact O-N 3.21Å
432K96.4Very high97Very high123 Ų12350.6 Ų50.654%0.53525%0.25SC..SBendtrans-81.8-33.7177.7-62.4-54.1-176.7-175.20112.6Y75 A430 F462Y75-K432 WeakPolarHBondContact CB-O 3.18Å; A430-K432 PolarHBondContact O-N 3.08Å; K432-F462 HydrophobicContact CB-CE1 4.35Å; K432-F462 HydrophobicContact CB-CZ 4.49Å
433I98.3Very high97Very high0 Ų054.3 Ų54.30%026%0.261CS..SBendtrans-135.7164.1171.767.1177.4000108.1Y75 F77 I427 L435 A463 I467Y75-I433 HydrophobicContact CD1-CG2 4.2Å; Y75-I433 VanDerWaalsContact O-CA 3.32Å; Y75-I433 WeakPolarHBondContact O-CA 3.43Å; F77-I433 HydrophobicContact CD2-CB 4.21Å; F77-I433 HydrophobicContact CD2-CG2 4.41Å; F77-I433 HydrophobicContact CE2-CB 4.41Å; F77-I433 HydrophobicContact CE2-CG2 4.1Å; I427-I433 HydrophobicContact CG2-CD1 3.74Å; I427-I433 HydrophobicContact CG2-CG1 3.46Å; I427-I433 VanDerWaalsContact CG2-CG1 3.46Å; I433-L435 HydrophobicContact CD1-CD1 4.31Å; I433-L435 HydrophobicContact CD1-CG 4.36Å; I433-A463 HydrophobicContact CD1-CB 4.23Å; I433-A463 HydrophobicContact CG2-CB 3.92Å; I433-I467 HydrophobicContact CD1-CD1 3.77Å; I433-I467 HydrophobicContact CD1-CG1 3.69Å
434H98.4Very high97Very high10 Ų1055 Ų555%0.04627%0.265CS..BIsolated β-bridgetrans-124.8127.9174.8-173.245.1000111.4V29 F30 Y75 F76 F77 A78 N428V29-H434 HydrophobicContact CG1-CB 4.04Å; V29-H434 HydrophobicContact CG2-CB 4.13Å; F30-H434 HydrophobicContact CB-CB 4.41Å; F30-H434 AromaticContact CD2-CE1 3.6Å; F30-H434 AromaticContact CD2-ND1 3.82Å; F30-H434 AromaticContact CD2-NE2 3.75Å; F30-H434 AromaticContact CE2-CE1 3.79Å; F30-H434 AromaticContact CE2-NE2 3.96Å; Y75-H434 PolarHBondContact O-N 2.88Å; Y75-H434 VanDerWaalsContact O-N 3.1Å; F76-H434 HydrophobicContact CD2-CB 4.48Å; F76-H434 AromaticContact CE2-CD2 3.75Å; F77-H434 CarbonylContact C-O 3.34Å; F77-H434 WeakPolarHBondContact CA-O 3.18Å; F77-H434 PolarHBondContact N-O 3.21Å; A78-H434 WeakPolarHBondContact CB-CD2 3.48Å; A78-H434 PolarHBondContact N-O 3.27Å; A78-H434 VanDerWaalsContact N-O 3.12Å; N428-H434 PolarHBondContact OD1-ND1 3.02Å
435L98.4Very high97Very high0 Ų054.3 Ų54.30%026%0.261CS..  trans-129.6158.1177-57.3179.3000110.6F77 F411 L424 I427 N428 I433 L446 R447 F448 I467F77-L435 HydrophobicContact CB-CD2 3.54Å; F77-L435 HydrophobicContact CG-CD2 4.5Å; F411-L435 HydrophobicContact CZ-CD1 4.43Å; L424-L435 HydrophobicContact CD1-CB 3.67Å; I427-L435 HydrophobicContact CD1-CD1 4Å; I427-L435 HydrophobicContact CG2-CD1 4.06Å; I427-L435 HydrophobicContact CG2-CG 4.25Å; N428-L435 PolarHBondContact ND2-O 3.46Å; N428-L435 PolarHBondContact OD1-N 2.87Å; N428-L435 VanDerWaalsContact OD1-N 3.11Å; N428-L435 PolarHBondContact OD1-O 3.49Å; I433-L435 HydrophobicContact CD1-CD1 4.31Å; I433-L435 HydrophobicContact CD1-CG 4.36Å; L435-L446 HydrophobicContact CD1-CD2 4.33Å; L435-R447 WeakPolarHBondContact CD2-O 3.19Å; L435-F448 HydrophobicContact CD2-CD2 3.72Å; L435-F448 HydrophobicContact CD2-CE2 4.42Å; L435-I467 HydrophobicContact CD1-CD1 4.26Å
436V97.6Very high97Very high18 Ų1848.3 Ų48.311%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-130.8151.8170.4-65.70000109.8A78 Y79 R447A78-V436 HydrophobicContact CB-CG1 3.89Å; A78-V436 HydrophobicContact CB-CG2 4.24Å; Y79-V436 HydrophobicContact CD1-CG1 4.5Å; Y79-V436 HydrophobicContact CD1-CG2 4.14Å; Y79-V436 HydrophobicContact CD2-CG1 4.44Å; Y79-V436 HydrophobicContact CE1-CG1 4.04Å; Y79-V436 HydrophobicContact CE1-CG2 4.41Å; Y79-V436 HydrophobicContact CE2-CG1 3.99Å; Y79-V436 HydrophobicContact CG-CG2 4.33Å; Y79-V436 VanDerWaalsContact N-CG2 3.28Å; V436-R447 WeakPolarHBondContact O-CB 3.41Å; V436-R447 PolarHBondContact O-N 2.91Å
437P98.3Very high97Very high53 Ų5346.9 Ų46.934%0.34422%0.224SC..EExtended strand (participates in β ladder)trans-89.4171.818034-25.9000112.1L424 F444 V445L424-P437 HydrophobicContact CD2-CB 3.77Å; L424-P437 HydrophobicContact CD2-CG 3.56Å; P437-F444 HydrophobicContact CB-CD1 4.44Å; P437-F444 HydrophobicContact CB-CD2 4.35Å; P437-F444 HydrophobicContact CB-CE1 3.71Å; P437-F444 HydrophobicContact CB-CE2 3.59Å; P437-F444 HydrophobicContact CB-CZ 3.23Å; P437-F444 HydrophobicContact CG-CE1 4.5Å; P437-F444 HydrophobicContact CG-CE2 3.81Å; P437-F444 HydrophobicContact CG-CZ 3.6Å; P437-V445 CarbonylContact C-O 3.54Å; P437-V445 WeakPolarHBondContact CA-O 3.39Å; P437-V445 WeakPolarHBondContact CB-O 3.4Å
438C97.9Very high97.1Very high17 Ų1746.9 Ų46.912%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-136.7174.615460.10000110.2P247 V445 R447P247-C438 HydrophobicContact CB-CB 4.1Å; P247-C438 PolarHBondContact O-SG 3.37Å; C438-V445 PolarHBondContact N-O 3.44Å; C438-V445 PolarHBondContact O-N 2.89Å; C438-R447 HydrophobicContact CB-CG 4.37Å
439H96.6Very high97.1Very high109 Ų10945.3 Ų45.351%0.50522%0.216SC..EExtended strand (participates in β ladder)trans-106.1132163.6-71.287.4000108.9K443 F444H439-K443 WeakPolarHBondContact CA-O 3.45Å; H439-F444 AromaticContact CE1-CD2 3.89Å; H439-F444 AromaticContact NE2-CD2 3.71Å
440L95.9Very high97.3Very high5 Ų540 Ų403%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-112.896.9168.1-65.5-173.5000106.9F215 P247 C248 C401 A402 E442 K443 V445F215-L440 HydrophobicContact CD1-CD2 4.35Å; F215-L440 HydrophobicContact CE1-CB 3.77Å; F215-L440 HydrophobicContact CE1-CD2 4.21Å; F215-L440 HydrophobicContact CE1-CG 4.43Å; F215-L440 HydrophobicContact CE2-CB 4.43Å; F215-L440 HydrophobicContact CE2-CD1 4.05Å; F215-L440 HydrophobicContact CZ-CB 3.64Å; F215-L440 HydrophobicContact CZ-CD1 4.08Å; F215-L440 HydrophobicContact CZ-CD2 4.36Å; F215-L440 HydrophobicContact CZ-CG 4.23Å; P247-L440 HydrophobicContact CB-CD2 3.6Å; C248-L440 HydrophobicContact CB-CD1 4Å; C248-L440 HydrophobicContact CB-CD2 3.75Å; C401-L440 HydrophobicContact CB-CD1 3.93Å; A402-L440 HydrophobicContact CB-CD1 4.27Å; L440-E442 PolarHBondContact O-N 3.24Å; L440-K443 PolarHBondContact N-O 3.49Å; L440-K443 WeakPolarHBondContact O-CB 3.46Å; L440-K443 PolarHBondContact O-N 2.81Å; L440-V445 HydrophobicContact CB-CG2 4.24Å; L440-V445 HydrophobicContact CD1-CG1 4.4Å; L440-V445 HydrophobicContact CD1-CG2 4.1Å; L440-V445 HydrophobicContact CG-CG2 4.12Å
441R91.7Very high97.3Very high132 Ų13238.5 Ų38.550%0.49818%0.178SC..THydrogen-bonded Turntrans53-126.7-162.4-59.4166-178-171.2-3.3109.2D212 E213 F215 K443D212-R441 PolarHBondContact O-NH2 2.91Å; E213-R441 VanDerWaalsContact CA-NH2 3.28Å; F215-R441 HydrophobicContact CE1-CG 4.13Å; R441-K443 VanDerWaalsContact C-N 3.27Å; R441-K443 PolarHBondContact O-N 2.92Å
442E93.8Very high97.4Very high165 Ų16536.7 Ų36.777%0.77117%0.171SC*.THydrogen-bonded Turntrans-811.3179.9-56.6-53.5134.300114.1N417 L440N417-E442 PolarHBondContact ND2-O 3.07Å; L440-E442 PolarHBondContact O-N 3.24Å
443K97.1Very high97.4Very high104 Ų10434.6 Ų34.645%0.45216%0.159SC..EExtended strand (participates in β ladder)trans-95.4122.7-176.4-70.4-171179.6-170.50111.3R412 H439 L440 R441 V445R412-K443 VanDerWaalsContact NH1-CB 3.27Å; H439-K443 WeakPolarHBondContact CA-O 3.45Å; L440-K443 PolarHBondContact N-O 3.49Å; L440-K443 WeakPolarHBondContact O-CB 3.46Å; L440-K443 PolarHBondContact O-N 2.81Å; R441-K443 VanDerWaalsContact C-N 3.27Å; R441-K443 PolarHBondContact O-N 2.92Å; K443-V445 HydrophobicContact CB-CG2 4.19Å
444F98.6Very high97.3Very high16 Ų1637 Ų377%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-75.1126.1165.8-172.2-84.7000109.8R412 N417 N420 K421 L424 P437 H439 L446R412-F444 PolarHBondContact NH1-O 3.25Å; N417-F444 HydrophobicContact CB-CB 3.79Å; N417-F444 PolarHBondContact OD1-N 3.44Å; N420-F444 HydrophobicContact CB-CD1 3.77Å; N420-F444 HydrophobicContact CB-CE1 4.37Å; K421-F444 HydrophobicContact CB-CE1 4.48Å; K421-F444 HydrophobicContact CB-CZ 4.4Å; K421-F444 HydrophobicContact CG-CD1 4.13Å; K421-F444 HydrophobicContact CG-CD2 3.84Å; K421-F444 HydrophobicContact CG-CE1 3.96Å; K421-F444 HydrophobicContact CG-CE2 3.66Å; K421-F444 HydrophobicContact CG-CG 4.05Å; K421-F444 HydrophobicContact CG-CZ 3.7Å; L424-F444 HydrophobicContact CB-CE1 4.43Å; L424-F444 HydrophobicContact CD2-CE1 4.21Å; L424-F444 HydrophobicContact CD2-CZ 3.84Å; P437-F444 HydrophobicContact CB-CD1 4.44Å; P437-F444 HydrophobicContact CB-CD2 4.35Å; P437-F444 HydrophobicContact CB-CE1 3.71Å; P437-F444 HydrophobicContact CB-CE2 3.59Å; P437-F444 HydrophobicContact CB-CZ 3.23Å; P437-F444 HydrophobicContact CG-CE1 4.5Å; P437-F444 HydrophobicContact CG-CE2 3.81Å; P437-F444 HydrophobicContact CG-CZ 3.6Å; H439-F444 AromaticContact CE1-CD2 3.89Å; H439-F444 AromaticContact NE2-CD2 3.71Å; F444-L446 HydrophobicContact CD1-CD1 4.39Å; F444-L446 HydrophobicContact CE1-CD1 4.18Å
445V98.5Very high97.3Very high0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-133139.6-170.5176.80000110.2C401 C410 P437 C438 L440 K443C401-V445 HydrophobicContact CB-CG1 3.86Å; C401-V445 HydrophobicContact CB-CG2 3.91Å; C410-V445 HydrophobicContact CB-CG1 3.76Å; P437-V445 CarbonylContact C-O 3.54Å; P437-V445 WeakPolarHBondContact CA-O 3.39Å; P437-V445 WeakPolarHBondContact CB-O 3.4Å; C438-V445 PolarHBondContact N-O 3.44Å; C438-V445 PolarHBondContact O-N 2.89Å; L440-V445 HydrophobicContact CB-CG2 4.24Å; L440-V445 HydrophobicContact CD1-CG1 4.4Å; L440-V445 HydrophobicContact CD1-CG2 4.1Å; L440-V445 HydrophobicContact CG-CG2 4.12Å; K443-V445 HydrophobicContact CB-CG2 4.19Å
446L98.8Very high97.3Very high0 Ų040.8 Ų40.80%019%0.192CC..EExtended strand (participates in β ladder)trans-87.2139.1173.2-74.568.3000109.3C410 F411 N420 L423 L424 I427 L435 F444C410-L446 WeakPolarHBondContact CA-O 3.4Å; F411-L446 HydrophobicContact CD1-CB 4.15Å; F411-L446 HydrophobicContact CE1-CB 3.7Å; F411-L446 HydrophobicContact CE2-CB 4.5Å; F411-L446 HydrophobicContact CE2-CD2 4.38Å; F411-L446 HydrophobicContact CZ-CB 3.89Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 2.96Å; F411-L446 WeakPolarHBondContact O-CB 3.36Å; F411-L446 PolarHBondContact O-N 3.25Å; N420-L446 HydrophobicContact CB-CD1 4.01Å; L423-L446 HydrophobicContact CD2-CD2 4.06Å; L423-L446 HydrophobicContact CG-CD2 4.24Å; L424-L446 HydrophobicContact CB-CD2 4.35Å; L424-L446 HydrophobicContact CB-CG 4.3Å; L424-L446 HydrophobicContact CD1-CD2 4.46Å; L424-L446 HydrophobicContact CD1-CG 4.36Å; I427-L446 HydrophobicContact CD1-CD2 3.86Å; L435-L446 HydrophobicContact CD1-CD2 4.33Å; F444-L446 HydrophobicContact CD1-CD1 4.39Å; F444-L446 HydrophobicContact CE1-CD1 4.18Å
447R98.8Very high97.4Very high6 Ų641.7 Ų41.72%0.02320%0.199CC..EExtended strand (participates in β ladder)trans-109.7128.6178.8-65.1172.473.4-98.61.5110.1Y79 T246 P247 L408 L435 V436 C438Y79-R447 PolarHBondContact O-NH1 3.2Å; Y79-R447 PolarHBondContact O-NH2 3.44Å; T246-R447 VanDerWaalsContact O-CZ 3.25Å; T246-R447 PolarHBondContact O-NE 3.01Å; T246-R447 PolarHBondContact O-NH2 3.45Å; P247-R447 WeakPolarHBondContact O-CD 3.08Å; P247-R447 PolarHBondContact O-NE 3.36Å; P247-R447 VanDerWaalsContact O-NE 3.07Å; L408-R447 HydrophobicContact CD1-CB 3.9Å; L408-R447 HydrophobicContact CD1-CG 4.4Å; L435-R447 WeakPolarHBondContact CD2-O 3.19Å; V436-R447 WeakPolarHBondContact O-CB 3.41Å; V436-R447 PolarHBondContact O-N 2.91Å; C438-R447 HydrophobicContact CB-CG 4.37Å
448F98.9Very high97.4Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-11897.2174.9-167.7-88000109.6F77 F388 V409 F411 L435 I450 A463 I467F77-F448 HydrophobicContact CB-CD2 3.93Å; F77-F448 HydrophobicContact CB-CE2 3.98Å; F77-F448 HydrophobicContact CB-CG 4.29Å; F77-F448 HydrophobicContact CB-CZ 4.4Å; F77-F448 HydrophobicContact CD1-CD1 4.15Å; F77-F448 HydrophobicContact CD1-CD2 4.35Å; F77-F448 AromaticContact CD1-CE1 3.56Å; F77-F448 HydrophobicContact CD1-CE1 3.56Å; F77-F448 AromaticContact CD1-CE2 3.78Å; F77-F448 HydrophobicContact CD1-CE2 3.78Å; F77-F448 AromaticContact CD1-CZ 3.34Å; F77-F448 HydrophobicContact CD1-CZ 3.34Å; F77-F448 HydrophobicContact CD2-CD2 4.25Å; F77-F448 AromaticContact CD2-CE2 3.48Å; F77-F448 HydrophobicContact CD2-CE2 3.48Å; F77-F448 VanDerWaalsContact CD2-CE2 3.48Å; F77-F448 AromaticContact CD2-CZ 3.76Å; F77-F448 HydrophobicContact CD2-CZ 3.76Å; F77-F448 AromaticContact CE1-CE1 3.68Å; F77-F448 HydrophobicContact CE1-CE1 3.68Å; F77-F448 HydrophobicContact CE1-CE2 4.08Å; F77-F448 AromaticContact CE1-CZ 3.31Å; F77-F448 HydrophobicContact CE1-CZ 3.31Å; F77-F448 AromaticContact CE2-CE2 3.79Å; F77-F448 HydrophobicContact CE2-CE2 3.79Å; F77-F448 AromaticContact CE2-CZ 3.72Å; F77-F448 HydrophobicContact CE2-CZ 3.72Å; F77-F448 AromaticContact CG-CD2 3.95Å; F77-F448 HydrophobicContact CG-CD2 3.95Å; F77-F448 HydrophobicContact CG-CE1 4.11Å; F77-F448 AromaticContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CE2 3.47Å; F77-F448 VanDerWaalsContact CG-CE2 3.47Å; F77-F448 HydrophobicContact CG-CG 4.44Å; F77-F448 AromaticContact CG-CZ 3.57Å; F77-F448 HydrophobicContact CG-CZ 3.57Å; F77-F448 HydrophobicContact CZ-CE1 4.32Å; F77-F448 HydrophobicContact CZ-CE2 4.08Å; F77-F448 AromaticContact CZ-CZ 3.51Å; F77-F448 HydrophobicContact CZ-CZ 3.51Å; F388-F448 HydrophobicContact CB-CD1 4.22Å; F388-F448 HydrophobicContact CB-CE1 4.12Å; F388-F448 HydrophobicContact CD1-CB 4.07Å; F388-F448 AromaticContact CD1-CD1 3.71Å; F388-F448 HydrophobicContact CD1-CD1 3.71Å; F388-F448 HydrophobicContact CD1-CE1 4.28Å; F388-F448 AromaticContact CD1-CG 3.89Å; F388-F448 HydrophobicContact CD1-CG 3.89Å; F388-F448 AromaticContact CD2-CD1 3.87Å; F388-F448 HydrophobicContact CD2-CD1 3.87Å; F388-F448 HydrophobicContact CD2-CD2 4.24Å; F388-F448 AromaticContact CD2-CE1 3.63Å; F388-F448 HydrophobicContact CD2-CE1 3.63Å; F388-F448 HydrophobicContact CD2-CE2 4.05Å; F388-F448 HydrophobicContact CD2-CG 4.16Å; F388-F448 AromaticContact CD2-CZ 3.73Å; F388-F448 HydrophobicContact CD2-CZ 3.73Å; F388-F448 HydrophobicContact CE1-CB 3.61Å; F388-F448 AromaticContact CE1-CD1 3.98Å; F388-F448 HydrophobicContact CE1-CD1 3.98Å; F388-F448 HydrophobicContact CE1-CD2 4.12Å; F388-F448 AromaticContact CE1-CG 3.65Å; F388-F448 HydrophobicContact CE1-CG 3.65Å; F388-F448 HydrophobicContact CE2-CD1 4.12Å; F388-F448 AromaticContact CE2-CD2 3.69Å; F388-F448 HydrophobicContact CE2-CD2 3.69Å; F388-F448 HydrophobicContact CE2-CE1 4.09Å; F388-F448 AromaticContact CE2-CE2 3.68Å; F388-F448 HydrophobicContact CE2-CE2 3.68Å; F388-F448 AromaticContact CE2-CG 3.92Å; F388-F448 HydrophobicContact CE2-CG 3.92Å; F388-F448 AromaticContact CE2-CZ 3.88Å; F388-F448 HydrophobicContact CE2-CZ 3.88Å; F388-F448 AromaticContact CG-CD1 3.65Å; F388-F448 HydrophobicContact CG-CD1 3.65Å; F388-F448 AromaticContact CG-CE1 3.74Å; F388-F448 HydrophobicContact CG-CE1 3.74Å; F388-F448 HydrophobicContact CG-CG 4.14Å; F388-F448 HydrophobicContact CG-CZ 4.32Å; F388-F448 HydrophobicContact CZ-CB 3.96Å; F388-F448 HydrophobicContact CZ-CD1 4.17Å; F388-F448 AromaticContact CZ-CD2 3.63Å; F388-F448 HydrophobicContact CZ-CD2 3.63Å; F388-F448 HydrophobicContact CZ-CE2 4.12Å; F388-F448 AromaticContact CZ-CG 3.66Å; F388-F448 HydrophobicContact CZ-CG 3.66Å; V409-F448 HydrophobicContact CB-CB 4.45Å; V409-F448 PolarHBondContact N-O 3.44Å; V409-F448 PolarHBondContact O-N 3.11Å; F411-F448 HydrophobicContact CD1-CB 4.45Å; F411-F448 HydrophobicContact CE1-CB 4.05Å; L435-F448 HydrophobicContact CD2-CD2 3.72Å; L435-F448 HydrophobicContact CD2-CE2 4.42Å; F448-I450 HydrophobicContact CD1-CD1 4.06Å; F448-I450 HydrophobicContact CE1-CD1 3.56Å; F448-A463 HydrophobicContact CE2-CB 3.81Å; F448-A463 HydrophobicContact CZ-CB 3.95Å; F448-I467 HydrophobicContact CD2-CD1 4.4Å; F448-I467 HydrophobicContact CE2-CD1 4.42Å
449A98.7Very high97.4Very high0 Ų044 Ų440%021%0.21CC..EExtended strand (participates in β ladder)trans-100129.2-179.900000111.3F77 Y79 G407 L408 C451F77-A449 VanDerWaalsContact CA-O 3.25Å; F77-A449 WeakPolarHBondContact CA-O 3.41Å; F77-A449 WeakPolarHBondContact CD1-O 3.48Å; F77-A449 PolarHBondContact O-N 3.26Å; Y79-A449 WeakPolarHBondContact O-CB 3.22Å; G407-A449 CarbonylContact O-C 3.56Å; G407-A449 WeakPolarHBondContact O-CA 3.44Å; L408-A449 HydrophobicContact CD1-CB 4.06Å; A449-C451 PolarHBondContact O-N 3.28Å; A449-C451 VanDerWaalsContact O-N 3.12Å; A449-C451 PolarHBondContact O-SG 3.39Å
450I98.7Very high97.6Very high0 Ų038.9 Ų38.90%019%0.186CC..  trans-76101.8176.3-54.2-62.5000109.8F77 H381 L384 G407 F448 V455 V460F77-I450 HydrophobicContact CD1-CD1 4.49Å; F77-I450 HydrophobicContact CE1-CD1 4.32Å; H381-I450 HydrophobicContact CB-CB 4.27Å; H381-I450 HydrophobicContact CB-CG2 3.92Å; H381-I450 PolarHBondContact ND1-O 3.22Å; L384-I450 HydrophobicContact CB-CD1 4.08Å; L384-I450 HydrophobicContact CB-CG1 4.21Å; L384-I450 HydrophobicContact CB-CG2 4.25Å; L384-I450 HydrophobicContact CD1-CG2 4.3Å; G407-I450 PolarHBondContact O-N 3.04Å; F448-I450 HydrophobicContact CD1-CD1 4.06Å; F448-I450 HydrophobicContact CE1-CD1 3.56Å; I450-V455 HydrophobicContact CG2-CB 4.49Å; I450-V455 HydrophobicContact CG2-CG1 3.45Å; I450-V455 VanDerWaalsContact CG2-CG1 3.45Å; I450-V455 HydrophobicContact CG2-CG2 4.41Å; I450-V460 HydrophobicContact CD1-CG2 4.08Å
451C97.9Very high97.7Very high8 Ų843.5 Ų43.55%0.05421%0.206CC..  trans-101.5-57.5-168.8-65.30000116.5F76 P81 H381 A449F76-C451 HydrophobicContact CD1-CB 3.9Å; F76-C451 WeakPolarHBondContact O-CB 3.48Å; P81-C451 HydrophobicContact CB-CB 3.77Å; P81-C451 HydrophobicContact CG-CB 4.17Å; H381-C451 PolarHBondContact CE1-O 3.19Å; A449-C451 PolarHBondContact O-N 3.28Å; A449-C451 VanDerWaalsContact O-N 3.12Å; A449-C451 PolarHBondContact O-SG 3.39Å
452S96.9Very high98Very high5 Ų540.9 Ų40.94%0.03520%0.199CC..  trans-68.4144.3-169.5178.70000113H72 S73 H381 T454 V455H72-S452 WeakPolarHBondContact O-CB 3.47Å; H72-S452 PolarHBondContact O-OG 2.86Å; S73-S452 WeakPolarHBondContact O-CB 3.5Å; H381-S452 PolarHBondContact CE1-O 3.03Å; H381-S452 PolarHBondContact NE2-O 3.09Å; S452-T454 PolarHBondContact O-N 3.4Å; S452-T454 PolarHBondContact OG-N 3.18Å; S452-T454 VanDerWaalsContact OG-N 3.12Å; S452-T454 PolarHBondContact OG-OG1 3.1Å; S452-V455 WeakPolarHBondContact O-CB 3.29Å; S452-V455 WeakPolarHBondContact O-CG1 3.3Å; S452-V455 PolarHBondContact O-N 3.09Å
453R95.8Very high98.3Very high79 Ų7933 Ų3330%0.29816%0.162SC..THydrogen-bonded Turntrans-59.9-28.4170-178.7178.557.977-0.7112.8L306L306-R453 HydrophobicContact CD2-CB 4.01Å; L306-R453 HydrophobicContact CD2-CG 3.9Å
454T96.6Very high98.4Very high51 Ų5129.1 Ų29.131%0.31314%0.144SC..THydrogen-bonded Turntrans-99.16.3-176.957.90000113.1S452S452-T454 PolarHBondContact O-N 3.4Å; S452-T454 PolarHBondContact OG-N 3.18Å; S452-T454 VanDerWaalsContact OG-N 3.12Å; S452-T454 PolarHBondContact OG-OG1 3.1Å
455V98.4Very high98.4Very high0 Ų034.5 Ų34.50%017%0.17CC..  trans-61.4142.817570.50000110.5P74 F77 K380 L384 I450 S452 H459 V460P74-V455 HydrophobicContact CB-CB 4.36Å; F77-V455 HydrophobicContact CE1-CG2 4.11Å; K380-V455 WeakPolarHBondContact CE-O 3.49Å; K380-V455 PolarHBondContact NZ-O 2.84Å; L384-V455 HydrophobicContact CD1-CG1 3.73Å; L384-V455 HydrophobicContact CD1-CG2 4.43Å; I450-V455 HydrophobicContact CG2-CB 4.49Å; I450-V455 HydrophobicContact CG2-CG1 3.45Å; I450-V455 VanDerWaalsContact CG2-CG1 3.45Å; I450-V455 HydrophobicContact CG2-CG2 4.41Å; S452-V455 WeakPolarHBondContact O-CB 3.29Å; S452-V455 WeakPolarHBondContact O-CG1 3.3Å; S452-V455 PolarHBondContact O-N 3.09Å; V455-H459 HydrophobicContact CG2-CB 4.16Å; V455-V460 HydrophobicContact CG2-CG2 4.39Å
456E98.6Very high98.4Very high88 Ų8836.1 Ų36.141%0.41118%0.177SC..  trans-141.9167.9-175.8-66.7-60.4164.100109.2K380 T458 H459 V460K380-E456 VanDerWaalsContact CE-OE2 3.3Å; K380-E456 WeakPolarHBondContact CE-OE2 3.2Å; K380-E456 IonicContact NZ-OE1 3.84Å; K380-E456 PolarHBondContact NZ-OE1 3.24Å; K380-E456 IonicContact NZ-OE2 2.73Å; K380-E456 PolarHBondContact NZ-OE2 3.28Å; E456-T458 PolarHBondContact O-N 3.47Å; E456-T458 VanDerWaalsContact O-N 3.17Å; E456-H459 WeakPolarHBondContact CB-ND1 3.18Å; E456-H459 PolarHBondContact N-ND1 3.27Å; E456-H459 WeakPolarHBondContact O-CB 3.38Å; E456-H459 PolarHBondContact O-N 3Å; E456-V460 PolarHBondContact O-N 2.75Å
457S98.8Very high98.4Very high38 Ų3836.1 Ų36.127%0.26618%0.177SC..Hα-helixtrans-54.4-35.4178.6-174.60000113.1Q387 V460 K461Q387-S457 PolarHBondContact NE2-OG 2.79Å; Q387-S457 VanDerWaalsContact OE1-CB 3.3Å; Q387-S457 PolarHBondContact OE1-OG 2.78Å; S457-V460 PolarHBondContact O-N 2.79Å; S457-K461 VanDerWaalsContact O-CG 3.3Å; S457-K461 WeakPolarHBondContact O-CG 3.11Å; S457-K461 PolarHBondContact O-N 3.12Å; S457-K461 WeakPolarHBondContact OG-CE 3.42Å
458T98.6Very high98.4Very high95 Ų9536.9 Ų36.958%0.58318%0.184SC*.Hα-helixtrans-63.7-41.5177480000112.3E456 K461 F462E456-T458 PolarHBondContact O-N 3.47Å; E456-T458 VanDerWaalsContact O-N 3.17Å; T458-K461 PolarHBondContact O-N 3.16Å; T458-F462 WeakPolarHBondContact O-CB 3.34Å; T458-F462 PolarHBondContact O-N 3.23Å
459H98.8Very high98.4Very high24 Ų2441.6 Ų41.611%0.11121%0.206CC..Hα-helixtrans-64.8-43176.7-55.5114.3000111.5P74 Y75 V455 E456 F462 A463P74-H459 HydrophobicContact CB-CB 4.22Å; Y75-H459 HydrophobicContact CE1-CB 4.26Å; Y75-H459 AromaticContact CE1-CD2 3.82Å; Y75-H459 AromaticContact CZ-CD2 3.68Å; V455-H459 HydrophobicContact CG2-CB 4.16Å; E456-H459 WeakPolarHBondContact CB-ND1 3.18Å; E456-H459 PolarHBondContact N-ND1 3.27Å; E456-H459 WeakPolarHBondContact O-CB 3.38Å; E456-H459 PolarHBondContact O-N 3Å; H459-F462 PolarHBondContact O-N 3.44Å; H459-A463 WeakPolarHBondContact O-CB 3.29Å; H459-A463 PolarHBondContact O-N 3.25Å
460V98.9Very high98.4Very high0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-63.2-45.6176.9176.10000111.3L384 F388 L391 I450 V455 E456 S457 A463 W464L384-V460 HydrophobicContact CB-CG2 4.21Å; L384-V460 HydrophobicContact CD2-CG2 4.16Å; F388-V460 HydrophobicContact CB-CG1 3.74Å; F388-V460 HydrophobicContact CD2-CG1 4.03Å; F388-V460 HydrophobicContact CG-CG1 4.38Å; L391-V460 HydrophobicContact CD1-CG1 4.42Å; I450-V460 HydrophobicContact CD1-CG2 4.08Å; V455-V460 HydrophobicContact CG2-CG2 4.39Å; E456-V460 PolarHBondContact O-N 2.75Å; S457-V460 PolarHBondContact O-N 2.79Å; V460-A463 PolarHBondContact O-N 3.19Å; V460-W464 PolarHBondContact O-N 3.01Å
461K98.8Very high98.3Very high102 Ų10243.2 Ų43.244%0.44321%0.214SC..Hα-helixtrans-62.2-44.2177-72.9172.2-177.5178.10111.8L391 S457 T458 W464 Q465L391-K461 HydrophobicContact CD1-CG 4.4Å; S457-K461 VanDerWaalsContact O-CG 3.3Å; S457-K461 WeakPolarHBondContact O-CG 3.11Å; S457-K461 PolarHBondContact O-N 3.12Å; S457-K461 WeakPolarHBondContact OG-CE 3.42Å; T458-K461 PolarHBondContact O-N 3.16Å; K461-W464 PolarHBondContact O-N 2.92Å; K461-Q465 WeakPolarHBondContact O-CB 3.43Å; K461-Q465 VanDerWaalsContact O-CG 3.28Å; K461-Q465 WeakPolarHBondContact O-CG 3.27Å; K461-Q465 PolarHBondContact O-N 3.38Å
462F98.8Very high98.4Very high78 Ų7844.6 Ų44.634%0.34222%0.222SC..Hα-helixtrans-59.9-48.1175.7172.8-92.9000111.5Y75 K432 T458 H459 W464 Q465 H466Y75-F462 AromaticContact CD1-CD1 3.94Å; Y75-F462 HydrophobicContact CD1-CD1 3.94Å; Y75-F462 HydrophobicContact CD1-CE1 4.25Å; Y75-F462 AromaticContact CE1-CD1 3.42Å; Y75-F462 HydrophobicContact CE1-CD1 3.42Å; Y75-F462 VanDerWaalsContact CE1-CD1 3.42Å; Y75-F462 AromaticContact CE1-CE1 3.92Å; Y75-F462 HydrophobicContact CE1-CE1 3.92Å; Y75-F462 HydrophobicContact CE1-CG 4.18Å; K432-F462 HydrophobicContact CB-CE1 4.35Å; K432-F462 HydrophobicContact CB-CZ 4.49Å; T458-F462 WeakPolarHBondContact O-CB 3.34Å; T458-F462 PolarHBondContact O-N 3.23Å; H459-F462 PolarHBondContact O-N 3.44Å; F462-W464 VanDerWaalsContact C-N 3.32Å; F462-W464 PolarHBondContact O-N 3.05Å; F462-Q465 PolarHBondContact O-N 3.28Å; F462-H466 WeakPolarHBondContact O-CB 3.15Å; F462-H466 PolarHBondContact O-N 2.74Å
463A98.8Very high98.4Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-59.6-44179.200000111.5F77 I433 F448 H459 V460 H466 I467F77-A463 HydrophobicContact CD2-CB 4.4Å; F77-A463 HydrophobicContact CE2-CB 3.63Å; F77-A463 HydrophobicContact CZ-CB 4.08Å; I433-A463 HydrophobicContact CD1-CB 4.23Å; I433-A463 HydrophobicContact CG2-CB 3.92Å; F448-A463 HydrophobicContact CE2-CB 3.81Å; F448-A463 HydrophobicContact CZ-CB 3.95Å; H459-A463 WeakPolarHBondContact O-CB 3.29Å; H459-A463 PolarHBondContact O-N 3.25Å; V460-A463 PolarHBondContact O-N 3.19Å; A463-H466 PolarHBondContact O-N 2.83Å; A463-I467 WeakPolarHBondContact O-CD1 3.45Å; A463-I467 VanDerWaalsContact O-CG1 3.23Å; A463-I467 WeakPolarHBondContact O-CG1 3.33Å; A463-I467 PolarHBondContact O-N 3.4Å
464W98.9Very high98.4Very high22 Ų2244.9 Ų44.98%0.08323%0.229CC..Hα-helixtrans-63.2-47.4175.9176.4-114.5000113F388 L391 V392 D395 F398 F411 V460 K461 F462 H466 I467 S468F388-W464 HydrophobicContact CD2-CB 4.38Å; F388-W464 HydrophobicContact CE2-CB 4.2Å; F388-W464 AromaticContact CE2-CE3 3.85Å; F388-W464 HydrophobicContact CE2-CE3 3.85Å; F388-W464 HydrophobicContact CZ-CE3 4.04Å; F388-W464 HydrophobicContact CZ-CZ3 4.49Å; L391-W464 HydrophobicContact CB-CB 4.5Å; L391-W464 HydrophobicContact CB-CD2 4.08Å; L391-W464 HydrophobicContact CB-CG 3.8Å; L391-W464 HydrophobicContact CD1-CB 4.03Å; L391-W464 HydrophobicContact CD1-CG 4.13Å; L391-W464 HydrophobicContact CG-CG 4.44Å; L391-W464 VanDerWaalsContact O-CZ2 3.25Å; L391-W464 WeakPolarHBondContact O-CZ2 3.46Å; V392-W464 HydrophobicContact CB-CH2 4.22Å; V392-W464 HydrophobicContact CB-CZ3 4.29Å; V392-W464 HydrophobicContact CG1-CH2 4.47Å; V392-W464 HydrophobicContact CG2-CE3 3.98Å; V392-W464 HydrophobicContact CG2-CH2 3.98Å; V392-W464 HydrophobicContact CG2-CZ3 3.55Å; D395-W464 HydrophobicContact CB-CH2 4.15Å; D395-W464 HydrophobicContact CB-CZ2 3.63Å; F398-W464 HydrophobicContact CD1-CH2 4.44Å; F398-W464 AromaticContact CD2-CH2 3.64Å; F398-W464 HydrophobicContact CD2-CH2 3.64Å; F398-W464 HydrophobicContact CD2-CZ2 4.43Å; F398-W464 AromaticContact CE2-CH2 3.73Å; F398-W464 HydrophobicContact CE2-CH2 3.73Å; F398-W464 HydrophobicContact CE2-CZ2 4.47Å; F398-W464 HydrophobicContact CE2-CZ3 4.41Å; F398-W464 AromaticContact CG-CH2 4Å; F398-W464 HydrophobicContact CG-CH2 4Å; F398-W464 HydrophobicContact CZ-CH2 4.16Å; F398-W464 HydrophobicContact CZ-CZ3 4.4Å; F411-W464 HydrophobicContact CE2-CZ3 4.45Å; V460-W464 PolarHBondContact O-N 3.01Å; K461-W464 PolarHBondContact O-N 2.92Å; F462-W464 VanDerWaalsContact C-N 3.32Å; F462-W464 PolarHBondContact O-N 3.05Å; W464-H466 PolarHBondContact O-N 3.13Å; W464-I467 HydrophobicContact CE3-CB 4.42Å; W464-I467 HydrophobicContact CE3-CG2 4.38Å; W464-I467 HydrophobicContact CZ3-CG2 4.17Å; W464-I467 PolarHBondContact O-N 3.31Å; W464-S468 WeakPolarHBondContact O-CB 3.29Å; W464-S468 PolarHBondContact O-N 2.9Å
465Q98.8Very high98.4Very high129 Ų12944.2 Ų44.260%0.60322%0.224SC*.Hα-helixtrans-56.6-42.4176.2-75.2171.7-13.400111.3K461 F462 Q469K461-Q465 WeakPolarHBondContact O-CB 3.43Å; K461-Q465 VanDerWaalsContact O-CG 3.28Å; K461-Q465 WeakPolarHBondContact O-CG 3.27Å; K461-Q465 PolarHBondContact O-N 3.38Å; F462-Q465 PolarHBondContact O-N 3.28Å; Q465-Q469 WeakPolarHBondContact O-CB 3.15Å; Q465-Q469 PolarHBondContact O-N 2.77Å
466H98.7Very high98.2Very high33 Ų3349.8 Ų49.815%0.15325%0.248CC..Hα-helixtrans-63.2-46.6176.7-176.558.7000112.5F462 A463 W464 Q469 L470F462-H466 WeakPolarHBondContact O-CB 3.15Å; F462-H466 PolarHBondContact O-N 2.74Å; A463-H466 PolarHBondContact O-N 2.83Å; W464-H466 PolarHBondContact O-N 3.13Å; H466-Q469 PolarHBondContact O-N 3.12Å; H466-L470 WeakPolarHBondContact NE2-CD1 3.44Å; H466-L470 WeakPolarHBondContact O-CG 3.32Å; H466-L470 PolarHBondContact O-N 3.11Å
467I98.9Very high97.8Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-60.8-48.7176.6-68.3160.8000110.8F388 F398 F411 I427 I433 L435 F448 A463 W464 Q469 L470 A471F388-I467 HydrophobicContact CE2-CD1 4.09Å; F388-I467 HydrophobicContact CZ-CD1 4.1Å; F398-I467 HydrophobicContact CE1-CG2 4.19Å; F398-I467 HydrophobicContact CZ-CG2 4.1Å; F411-I467 HydrophobicContact CE2-CG2 3.99Å; F411-I467 HydrophobicContact CZ-CD1 4.08Å; F411-I467 HydrophobicContact CZ-CG2 4.28Å; I427-I467 HydrophobicContact CD1-CG1 3.94Å; I427-I467 HydrophobicContact CD1-CG2 4.27Å; I427-I467 HydrophobicContact CG1-CG1 4.39Å; I433-I467 HydrophobicContact CD1-CD1 3.77Å; I433-I467 HydrophobicContact CD1-CG1 3.69Å; L435-I467 HydrophobicContact CD1-CD1 4.26Å; F448-I467 HydrophobicContact CD2-CD1 4.4Å; F448-I467 HydrophobicContact CE2-CD1 4.42Å; A463-I467 WeakPolarHBondContact O-CD1 3.45Å; A463-I467 VanDerWaalsContact O-CG1 3.23Å; A463-I467 WeakPolarHBondContact O-CG1 3.33Å; A463-I467 PolarHBondContact O-N 3.4Å; W464-I467 HydrophobicContact CE3-CB 4.42Å; W464-I467 HydrophobicContact CE3-CG2 4.38Å; W464-I467 HydrophobicContact CZ3-CG2 4.17Å; W464-I467 PolarHBondContact O-N 3.31Å; I467-Q469 VanDerWaalsContact C-N 3.33Å; I467-Q469 PolarHBondContact O-N 3.22Å; I467-L470 PolarHBondContact O-N 3.37Å; I467-A471 WeakPolarHBondContact O-CB 3.43Å; I467-A471 PolarHBondContact O-N 3.26Å
468S98.7Very high97.2Very high23 Ų2351 Ų5116%0.16125%0.251CS..Hα-helixtrans-64.7-36.7-177.5-175.20000112.2D395 R397 W464 T472D395-S468 PolarHBondContact OD2-OG 3.19Å; R397-S468 PolarHBondContact NH2-O 3.43Å; R397-S468 PolarHBondContact NH2-OG 3.42Å; W464-S468 WeakPolarHBondContact O-CB 3.29Å; W464-S468 PolarHBondContact O-N 2.9Å; S468-T472 PolarHBondContact O-N 3.47Å; S468-T472 PolarHBondContact O-OG1 3.14Å
469Q98.6Very high96.5Very high99 Ų9952.2 Ų52.246%0.46325%0.25SS..Hα-helixtrans-65.9-50.2173.5-17857.653.200111.4Q465 H466 I467 A471 T472 D473Q465-Q469 WeakPolarHBondContact O-CB 3.15Å; Q465-Q469 PolarHBondContact O-N 2.77Å; H466-Q469 PolarHBondContact O-N 3.12Å; I467-Q469 VanDerWaalsContact C-N 3.33Å; I467-Q469 PolarHBondContact O-N 3.22Å; Q469-A471 VanDerWaalsContact C-N 3.27Å; Q469-A471 PolarHBondContact O-N 2.82Å; Q469-T472 WeakPolarHBondContact O-CA 3.29Å; Q469-T472 VanDerWaalsContact O-CB 3.25Å; Q469-T472 WeakPolarHBondContact O-CB 3.01Å; Q469-T472 PolarHBondContact O-N 2.98Å; Q469-D473 VanDerWaalsContact NE2-CG 3.34Å; Q469-D473 PolarHBondContact NE2-OD1 3.21Å; Q469-D473 VanDerWaalsContact NE2-OD1 3.09Å; Q469-D473 PolarHBondContact NE2-OD2 2.88Å; Q469-D473 PolarHBondContact O-N 2.82Å
470L98.6Very high95.8Very high33 Ų3356.5 Ų56.517%0.17327%0.27CS..Hα-helixtrans-60.6-37.4177.9-72.6174.9000112.3L423 I427 A430 H466 I467 T472 D473 L474L423-L470 HydrophobicContact CD1-CB 4.21Å; I427-L470 HydrophobicContact CB-CD1 4.26Å; I427-L470 HydrophobicContact CG1-CD1 3.71Å; A430-L470 HydrophobicContact CB-CD1 4.38Å; H466-L470 WeakPolarHBondContact NE2-CD1 3.44Å; H466-L470 WeakPolarHBondContact O-CG 3.32Å; H466-L470 PolarHBondContact O-N 3.11Å; I467-L470 PolarHBondContact O-N 3.37Å; L470-T472 VanDerWaalsContact C-N 3.33Å; L470-D473 PolarHBondContact O-N 3.32Å; L470-L474 VanDerWaalsContact O-CB 3.23Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 3.31Å
471A98.5Very high94.9Very high0 Ų060.6 Ų60.60%029%0.292CS..Hα-helixtrans-63.3-38.817300000112.4F398 L413 L423 I467 Q469 L475F398-A471 HydrophobicContact CE2-CB 4.15Å; F398-A471 HydrophobicContact CZ-CB 3.57Å; L413-A471 HydrophobicContact CD1-CB 4.18Å; L413-A471 HydrophobicContact CD2-CB 4.11Å; L423-A471 HydrophobicContact CD1-CB 4.09Å; I467-A471 WeakPolarHBondContact O-CB 3.43Å; I467-A471 PolarHBondContact O-N 3.26Å; Q469-A471 VanDerWaalsContact C-N 3.27Å; Q469-A471 PolarHBondContact O-N 2.82Å; A471-L475 WeakPolarHBondContact O-CB 3.49Å; A471-L475 VanDerWaalsContact O-CG 3.23Å; A471-L475 WeakPolarHBondContact O-CG 3.31Å; A471-L475 PolarHBondContact O-N 2.82Å
472T98.3Very high93.7Very high37 Ų3761.8 Ų61.823%0.22730%0.299CS..Hα-helixtrans-61.1-47.1175.5-55.20000111.4R397 S468 Q469 L470 K476R397-T472 PolarHBondContact NH1-OG1 2.66Å; S468-T472 PolarHBondContact O-N 3.47Å; S468-T472 PolarHBondContact O-OG1 3.14Å; Q469-T472 WeakPolarHBondContact O-CA 3.29Å; Q469-T472 VanDerWaalsContact O-CB 3.25Å; Q469-T472 WeakPolarHBondContact O-CB 3.01Å; Q469-T472 PolarHBondContact O-N 2.98Å; L470-T472 VanDerWaalsContact C-N 3.33Å; T472-K476 WeakPolarHBondContact O-CG 3.48Å; T472-K476 PolarHBondContact O-N 3.05Å
473D97.4Very high92.3Very high66 Ų6665.8 Ų65.835%0.35332%0.319SS..Hα-helixtrans-70-38-178.1-61.2-31.3000111.5Q469 L470 T477Q469-D473 VanDerWaalsContact NE2-CG 3.34Å; Q469-D473 PolarHBondContact NE2-OD1 3.21Å; Q469-D473 VanDerWaalsContact NE2-OD1 3.09Å; Q469-D473 PolarHBondContact NE2-OD2 2.88Å; Q469-D473 PolarHBondContact O-N 2.82Å; L470-D473 PolarHBondContact O-N 3.32Å; D473-T477 PolarHBondContact O-N 3.48Å; D473-T477 PolarHBondContact O-OG1 3.36Å
474L97.1Very high90.4Very high24 Ų2473.5 Ų73.513%0.12636%0.355CS..Hα-helixtrans-63.1-49174.8-179.663.4000112L419 A422 L423 L470 K476 T477 W478L419-L474 HydrophobicContact CD1-CD2 3.75Å; L419-L474 HydrophobicContact CD1-CG 3.94Å; A422-L474 HydrophobicContact CB-CD1 4Å; A422-L474 HydrophobicContact CB-CD2 4.11Å; L423-L474 HydrophobicContact CB-CD2 3.79Å; L423-L474 HydrophobicContact CD1-CD2 4.5Å; L470-L474 VanDerWaalsContact O-CB 3.23Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 3.31Å; L474-K476 PolarHBondContact O-N 3.37Å; L474-T477 PolarHBondContact O-N 3.08Å; L474-W478 HydrophobicContact CD1-CE3 4.23Å; L474-W478 WeakPolarHBondContact O-CB 3.45Å; L474-W478 PolarHBondContact O-N 3.36Å
475L96.3Very high88.2Confident38 Ų3882.9 Ų82.920%0.19940%0.399CS..Hα-helixtrans-63.1-40.9-177.7-74.4169.4000112.2R397 L413 L419 A471 T477 W478 E479R397-L475 HydrophobicContact CG-CD1 4.44Å; L413-L475 HydrophobicContact CD2-CD1 4.47Å; L419-L475 HydrophobicContact CD1-CD2 4.19Å; L419-L475 HydrophobicContact CD2-CD2 3.96Å; A471-L475 WeakPolarHBondContact O-CB 3.49Å; A471-L475 VanDerWaalsContact O-CG 3.23Å; A471-L475 WeakPolarHBondContact O-CG 3.31Å; A471-L475 PolarHBondContact O-N 2.82Å; L475-T477 VanDerWaalsContact C-N 3.31Å; L475-T477 PolarHBondContact O-N 3.43Å; L475-W478 PolarHBondContact O-N 2.67Å; L475-E479 WeakPolarHBondContact O-CG 3.25Å; L475-E479 PolarHBondContact O-N 3.46Å
476K93.6Very high87.6Confident116 Ų11680.6 Ų80.650%0.50439%0.389SS..Hα-helixtrans-57.5-45.2173.8-73.8172.8-177.9171.60112T472 L474 W478 Q480T472-K476 WeakPolarHBondContact O-CG 3.48Å; T472-K476 PolarHBondContact O-N 3.05Å; L474-K476 PolarHBondContact O-N 3.37Å; K476-W478 VanDerWaalsContact C-N 3.33Å; K476-Q480 VanDerWaalsContact O-CG 3.28Å; K476-Q480 WeakPolarHBondContact O-CG 3.39Å; K476-Q480 PolarHBondContact O-N 3.18Å
477T90.4Very high87Confident72 Ų7283.1 Ų83.144%0.44240%0.402SS..Hα-helixtrans-67.7-37.6179-50.60000111D473 L474 L475 N481D473-T477 PolarHBondContact O-N 3.48Å; D473-T477 PolarHBondContact O-OG1 3.36Å; L474-T477 PolarHBondContact O-N 3.08Å; L475-T477 VanDerWaalsContact C-N 3.31Å; L475-T477 PolarHBondContact O-N 3.43Å; T477-N481 VanDerWaalsContact O-CG 3.32Å; T477-N481 PolarHBondContact O-N 2.73Å; T477-N481 PolarHBondContact O-ND2 3.27Å
478W86.9Confident86.4Confident81 Ų8187.7 Ų87.731%0.30742%0.424SS..Hα-helixtrans-67.2-44.4-179.5-156.3-82.9000112.5E418 L419 A422 L474 L475 K476 N481 Q482E418-W478 HydrophobicContact CB-CH2 4.17Å; E418-W478 HydrophobicContact CB-CZ2 4.5Å; L419-W478 HydrophobicContact CD1-CD2 3.91Å; L419-W478 HydrophobicContact CD1-CE3 3.92Å; L419-W478 HydrophobicContact CD1-CG 4.23Å; L419-W478 HydrophobicContact CD1-CZ3 4.42Å; A422-W478 HydrophobicContact CB-CZ3 4.11Å; L474-W478 HydrophobicContact CD1-CE3 4.23Å; L474-W478 WeakPolarHBondContact O-CB 3.45Å; L474-W478 PolarHBondContact O-N 3.36Å; L475-W478 PolarHBondContact O-N 2.67Å; K476-W478 VanDerWaalsContact C-N 3.33Å; W478-N481 PolarHBondContact O-N 3.04Å; W478-Q482 WeakPolarHBondContact O-CG 3.45Å; W478-Q482 PolarHBondContact O-N 3.08Å; W478-Q482 VanDerWaalsContact O-N 3.1Å
479E83.8Confident85.7Confident120 Ų12091.5 Ų91.556%0.56144%0.44SS*.Hα-helixtrans-62.6-41.5176.7-73.2172-177.900111.9L475 N481 Q482 Q483L475-E479 WeakPolarHBondContact O-CG 3.25Å; L475-E479 PolarHBondContact O-N 3.46Å; E479-N481 VanDerWaalsContact C-N 3.35Å; E479-N481 PolarHBondContact O-N 3.36Å; E479-Q482 PolarHBondContact O-N 3.24Å; E479-Q483 WeakPolarHBondContact O-CG 3.36Å; E479-Q483 PolarHBondContact O-N 3.38Å; E479-Q483 VanDerWaalsContact O-N 3.11Å
480Q82.9Confident84.9Confident113 Ų11391 Ų9153%0.52844%0.438SS..Hα-helixtrans-61.9-41.4176.5-72.7171.9-2.700112.2K476 Q483 Q484K476-Q480 VanDerWaalsContact O-CG 3.28Å; K476-Q480 WeakPolarHBondContact O-CG 3.39Å; K476-Q480 PolarHBondContact O-N 3.18Å; Q480-Q483 PolarHBondContact O-N 3.02Å; Q480-Q484 WeakPolarHBondContact O-CG 3.37Å; Q480-Q484 PolarHBondContact O-N 3.11Å
481N80.1Confident83.9Confident86 Ų8694.9 Ų94.946%0.4646%0.456SS..Hα-helixtrans-69.3-32.8178.4-70.4-22000112.5T477 W478 E479 Q484T477-N481 VanDerWaalsContact O-CG 3.32Å; T477-N481 PolarHBondContact O-N 2.73Å; T477-N481 PolarHBondContact O-ND2 3.27Å; W478-N481 PolarHBondContact O-N 3.04Å; E479-N481 VanDerWaalsContact C-N 3.35Å; E479-N481 PolarHBondContact O-N 3.36Å; N481-Q484 PolarHBondContact O-N 2.92Å
482Q74.1Confident82.9Confident127 Ų127101.6 Ų101.659%0.59349%0.488SS*.Hα-helixtrans-73.7-26.4176.1-69.9-118.7-39.700113.1W478 E479 Q484W478-Q482 WeakPolarHBondContact O-CG 3.45Å; W478-Q482 PolarHBondContact O-N 3.08Å; W478-Q482 VanDerWaalsContact O-N 3.1Å; E479-Q482 PolarHBondContact O-N 3.24Å; Q482-Q484 VanDerWaalsContact C-N 3.31Å
483Q68.9Low81.7Confident163 Ų163106.6 Ų106.676%0.76251%0.508SS*.Hα-helixtrans-79.5-13.5175.1-71.3175.35.600113.4E479 Q480E479-Q483 WeakPolarHBondContact O-CG 3.36Å; E479-Q483 PolarHBondContact O-N 3.38Å; E479-Q483 VanDerWaalsContact O-N 3.11Å; Q480-Q483 PolarHBondContact O-N 3.02Å
484Q59.4Low80.4Confident161 Ų161110 Ų11075%0.75252%0.521SS*.  trans-99.6-8.7179.5-70.7179.18.800113.9Q480 N481 Q482Q480-Q484 WeakPolarHBondContact O-CG 3.37Å; Q480-Q484 PolarHBondContact O-N 3.11Å; N481-Q484 PolarHBondContact O-N 2.92Å; Q482-Q484 VanDerWaalsContact C-N 3.31Å
485Q51.6Low78.9Confident219 Ų219117.8 Ų117.8100%1.02356%0.557SS**  trans-98.80170.4-71.4-178.2-5.300109.8

Retrieved 485 of 485 residues in 189 ms (Link to these results)

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