A0A077YZ09_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 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
1M55.9Low75.4Confident203 Ų203108 Ų108100%161%0.605SS**  0-41.70-76.8-176.2179.200113.7S3 E4 S5M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.24Å; M1-E4 PolarHBondContact O-N 3.35Å; M1-S5 PolarHBondContact O-OG 3.41Å
2I60.6Low76.5Confident140 Ų140108.6 Ų108.672%0.71860%0.604SS**Hα-helixtrans-60.9-32.2-178-59.1167.9000113.7E4 S5I2-E4 VanDerWaalsContact C-N 3.32Å; I2-E4 PolarHBondContact O-N 3.42Å; I2-S5 WeakPolarHBondContact O-CB 3.46Å; I2-S5 PolarHBondContact O-N 3.17Å
3S66.5Low77.4Confident99 Ų99105.7 Ų105.769%0.69260%0.595SS**Hα-helixtrans-67.6-28.3178.4-172.50000113.8M1M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 3.24Å
4E72.7Confident78.3Confident140 Ų140105.4 Ų105.465%0.65460%0.596SS**Hα-helixtrans-75.7-31.8178.6-67.2-170.9150.400110.9M1 I2 N6 L7 V8M1-E4 PolarHBondContact O-N 3.35Å; I2-E4 VanDerWaalsContact C-N 3.32Å; I2-E4 PolarHBondContact O-N 3.42Å; E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.91Å; E4-L7 PolarHBondContact O-N 3.04Å; E4-V8 WeakPolarHBondContact O-CG2 3.4Å; E4-V8 PolarHBondContact O-N 3.44Å; E4-V8 VanDerWaalsContact O-N 3.07Å
5S74.5Confident79.1Confident67 Ų67101.5 Ų101.547%0.46958%0.582SS.*Hα-helixtrans-61.4-39.5176.2-42.30000112.5M1 I2 T9M1-S5 PolarHBondContact O-OG 3.41Å; I2-S5 WeakPolarHBondContact O-CB 3.46Å; I2-S5 PolarHBondContact O-N 3.17Å; S5-T9 PolarHBondContact O-N 2.98Å; S5-T9 PolarHBondContact O-OG1 3.07Å
6N79.1Confident79.7Confident103 Ų10398.4 Ų98.455%0.55157%0.573SS**Hα-helixtrans-71.2-33.6178.5-70.6-26.8000112.6E4 T9 T10E4-N6 VanDerWaalsContact C-N 3.33Å; E4-N6 PolarHBondContact O-N 2.91Å; N6-T9 PolarHBondContact O-N 2.72Å; N6-T10 WeakPolarHBondContact O-CG2 3.39Å; N6-T10 PolarHBondContact O-N 2.78Å; N6-T10 PolarHBondContact O-OG1 3.03Å
7L81.7Confident80.3Confident114 Ų11499.1 Ų99.160%0.59757%0.572SS**Hα-helixtrans-69.6-40.3176.2-171.865.7000111.3E4 T9 T10 T11E4-L7 PolarHBondContact O-N 3.04Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.05Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.37Å; L7-T11 PolarHBondContact O-N 3.26Å; L7-T11 PolarHBondContact O-OG1 3.4Å
8V83.3Confident80.9Confident83 Ų8396.7 Ų96.750%0.50356%0.563SS.*Hα-helixtrans-64.8-40174.5177.10000110.9E4 T11 L12E4-V8 WeakPolarHBondContact O-CG2 3.4Å; E4-V8 PolarHBondContact O-N 3.44Å; E4-V8 VanDerWaalsContact O-N 3.07Å; V8-T11 WeakPolarHBondContact CA-OG1 3.3Å; V8-T11 PolarHBondContact O-OG1 3.04Å; V8-L12 HydrophobicContact CG1-CD1 4.04Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.84Å
9T83.1Confident81.4Confident79 Ų7995.8 Ų95.849%0.48556%0.558SS.*Hα-helixtrans-68.8-42179.9-480000112S5 N6 L7 L12 C13S5-T9 PolarHBondContact O-N 2.98Å; S5-T9 PolarHBondContact O-OG1 3.07Å; N6-T9 PolarHBondContact O-N 2.72Å; L7-T9 VanDerWaalsContact C-N 3.34Å; T9-L12 PolarHBondContact O-N 2.99Å; T9-C13 PolarHBondContact O-N 3.36Å; T9-C13 PolarHBondContact O-SG 3.01Å; T9-C13 VanDerWaalsContact O-SG 3.36Å
10T86Confident81.8Confident80 Ų8096.4 Ų96.449%0.49156%0.558SS.*Hα-helixtrans-67.7-39.8178.146.30000112.3N6 L7 L12 C13 V14N6-T10 WeakPolarHBondContact O-CG2 3.39Å; N6-T10 PolarHBondContact O-N 2.78Å; N6-T10 PolarHBondContact O-OG1 3.03Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.05Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-C13 PolarHBondContact O-N 3Å; T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.27Å
11T86.5Confident82.2Confident80 Ų8095.5 Ų95.549%0.49155%0.554SS.*Hα-helixtrans-64.3-38.5174.748.80000111.9L7 V8 A15L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 VanDerWaalsContact O-CG2 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.37Å; L7-T11 PolarHBondContact O-N 3.26Å; L7-T11 PolarHBondContact O-OG1 3.4Å; V8-T11 WeakPolarHBondContact CA-OG1 3.3Å; V8-T11 PolarHBondContact O-OG1 3.04Å; T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å
12L88.6Confident83.8Confident115 Ų11590.8 Ų90.860%0.60253%0.531SS*.Hα-helixtrans-63.2-41.8172.3-73.9169000112.6V8 T9 T10 A15 A16V8-L12 HydrophobicContact CG1-CD1 4.04Å; V8-L12 WeakPolarHBondContact O-CB 3.44Å; V8-L12 VanDerWaalsContact O-CG 3.24Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.84Å; T9-L12 PolarHBondContact O-N 2.99Å; T10-L12 VanDerWaalsContact C-N 3.35Å; L12-A15 PolarHBondContact O-N 3.38Å; L12-A16 PolarHBondContact O-N 3.03Å
13C88.3Confident85.2Confident71 Ų7188.7 Ų88.748%0.4852%0.521SS..Hα-helixtrans-65.8-43.1177.6-720000112.9T9 T10 A15 A16 I17T9-C13 PolarHBondContact O-N 3.36Å; T9-C13 PolarHBondContact O-SG 3.01Å; T9-C13 VanDerWaalsContact O-SG 3.36Å; T10-C13 PolarHBondContact O-N 3Å; C13-A15 VanDerWaalsContact C-N 3.34Å; C13-A16 PolarHBondContact O-N 3.01Å; C13-I17 WeakPolarHBondContact O-CG1 3.5Å; C13-I17 PolarHBondContact O-N 2.7Å
14V90.2Very high86.1Confident101 Ų10188.2 Ų88.261%0.61251%0.514SS*.Hα-helixtrans-65.5-40.1177.61750000110.6T10 A16 I17 S18T10-V14 WeakPolarHBondContact O-CG2 3.39Å; T10-V14 PolarHBondContact O-N 3.27Å; V14-A16 PolarHBondContact O-N 3.42Å; V14-I17 PolarHBondContact O-N 3.49Å; V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.03Å
15A89.3Confident86.9Confident47 Ų4785.9 Ų85.939%0.38851%0.505SS..Hα-helixtrans-59.5-45.9173.400000111.1T11 L12 C13 I17 S18 V19T11-A15 WeakPolarHBondContact O-CB 3.37Å; T11-A15 PolarHBondContact O-N 3.45Å; L12-A15 PolarHBondContact O-N 3.38Å; C13-A15 VanDerWaalsContact C-N 3.34Å; A15-I17 PolarHBondContact O-N 3.05Å; A15-S18 PolarHBondContact O-N 3.27Å; A15-S18 PolarHBondContact O-OG 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.28Å; A15-V19 PolarHBondContact O-N 3.47Å
16A89.5Confident87.4Confident53 Ų5385.2 Ų85.244%0.43850%0.5SS..Hα-helixtrans-61.3-43.9178.300000113.1L12 C13 V14 S18 V19 I20L12-A16 PolarHBondContact O-N 3.03Å; C13-A16 PolarHBondContact O-N 3.01Å; V14-A16 PolarHBondContact O-N 3.42Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.1Å; A16-V19 PolarHBondContact O-N 3.31Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.48Å; A16-I20 VanDerWaalsContact O-N 3.1Å
17I90.1Very high87.8Confident109 Ų10984.1 Ų84.156%0.55950%0.497SS*.Hα-helixtrans-63.8-41.5176.6-65.7167.8000110.7C13 V14 A15 V19 I20 V21C13-I17 WeakPolarHBondContact O-CG1 3.5Å; C13-I17 PolarHBondContact O-N 2.7Å; V14-I17 PolarHBondContact O-N 3.49Å; A15-I17 PolarHBondContact O-N 3.05Å; I17-V19 VanDerWaalsContact C-N 3.3Å; I17-V19 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.5Å; I17-V21 HydrophobicContact CG2-CG2 4.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 3.43Å
18S90.3Very high87.8Confident57 Ų5782.4 Ų82.440%0.39949%0.493SS..Hα-helixtrans-62.6-37.9178.376.50000112.2V14 A15 A16 V21 I22V14-S18 WeakPolarHBondContact O-CB 3.42Å; V14-S18 PolarHBondContact O-N 3.03Å; A15-S18 PolarHBondContact O-N 3.27Å; A15-S18 PolarHBondContact O-OG 3.25Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.1Å; S18-V21 PolarHBondContact O-N 3.03Å; S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.38Å; S18-I22 PolarHBondContact O-N 2.93Å
19V90.2Very high87.9Confident79 Ų7983.3 Ų83.348%0.47950%0.495SS..Hα-helixtrans-64.9-43.9175.5172.40000110.9A15 A16 I17 V21 I22 I23A15-V19 WeakPolarHBondContact O-CG2 3.28Å; A15-V19 PolarHBondContact O-N 3.47Å; A16-V19 PolarHBondContact O-N 3.31Å; I17-V19 VanDerWaalsContact C-N 3.3Å; I17-V19 PolarHBondContact O-N 3.32Å; V19-V21 PolarHBondContact O-N 3.24Å; V19-I22 PolarHBondContact O-N 3.28Å; V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.04Å
20I90.4Very high87.8Confident108 Ų10885 Ų8555%0.55450%0.501SS*.Hα-helixtrans-61.6-43.8177.8-66.6167.4000111.1A16 I17 I22 I23 V24A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 3.48Å; A16-I20 VanDerWaalsContact O-N 3.1Å; I17-I20 PolarHBondContact O-N 3.5Å; I20-I22 PolarHBondContact O-N 2.95Å; I20-I23 PolarHBondContact O-N 3.33Å; I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.45Å
21V90.2Very high87.4Confident77 Ų7785 Ų8547%0.46750%0.501SS..Hα-helixtrans-63.7-42.8178.5173.90000111.3I17 S18 V19 I23 V24 I25I17-V21 HydrophobicContact CG2-CG2 4.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.28Å; I17-V21 PolarHBondContact O-N 3.43Å; S18-V21 PolarHBondContact O-N 3.03Å; V19-V21 PolarHBondContact O-N 3.24Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 2.96Å; V21-V24 PolarHBondContact O-N 3.4Å; V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.27Å
22I89.5Confident86.9Confident104 Ų10489.3 Ų89.353%0.53351%0.508SS..Hα-helixtrans-63.8-38.8176.8-68.2167000110.9S18 V19 I20 S26S18-I22 VanDerWaalsContact O-CG1 3.28Å; S18-I22 WeakPolarHBondContact O-CG1 3.38Å; S18-I22 PolarHBondContact O-N 2.93Å; V19-I22 PolarHBondContact O-N 3.28Å; I20-I22 PolarHBondContact O-N 2.95Å; I22-S26 WeakPolarHBondContact O-CB 3.18Å; I22-S26 PolarHBondContact O-N 2.86Å; I22-S26 PolarHBondContact O-OG 3.39Å
23I90Very high86.2Confident96 Ų9691.1 Ų91.149%0.49251%0.507SS..Hα-helixtrans-65.4-46.1175.7-68167.5000110.7V19 I20 V21 I25 S26 V27V19-I23 HydrophobicContact CG1-CD1 3.79Å; V19-I23 HydrophobicContact CG1-CG1 4.46Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.41Å; V19-I23 PolarHBondContact O-N 3.04Å; I20-I23 PolarHBondContact O-N 3.33Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 2.96Å; I23-I25 PolarHBondContact O-N 3.46Å; I23-S26 PolarHBondContact O-N 3.47Å; I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 WeakPolarHBondContact O-CB 3.33Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 2.7Å
24V85.1Confident85.4Confident90 Ų9096.8 Ų96.855%0.54552%0.518SS..Hα-helixtrans-60.2-44.8177.3172.10000111.1I20 V21 V27 C28I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.41Å; I20-V24 PolarHBondContact O-N 3.45Å; V21-V24 PolarHBondContact O-N 3.4Å; V24-V27 PolarHBondContact O-N 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.3Å; V24-C28 PolarHBondContact O-N 2.83Å
25I89.7Confident83.6Confident91 Ų9195.1 Ų95.147%0.46751%0.511SS..Hα-helixtrans-64.9-44.1176.6-66.4169.6000110.5V21 I23 V27 C28 L29V21-I25 HydrophobicContact CG1-CD1 3.84Å; V21-I25 HydrophobicContact CG1-CG1 4.47Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.27Å; I23-I25 PolarHBondContact O-N 3.46Å; I25-V27 PolarHBondContact O-N 2.82Å; I25-C28 WeakPolarHBondContact O-CB 3.45Å; I25-C28 PolarHBondContact O-N 3.44Å; I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.23Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 2.81Å
26S84.4Confident82.3Confident52 Ų52101 Ų10136%0.36452%0.523SS..Hα-helixtrans-61.4-43.8178.2-61.70000111.5I22 I23 L29 L30I22-S26 WeakPolarHBondContact O-CB 3.18Å; I22-S26 PolarHBondContact O-N 2.86Å; I22-S26 PolarHBondContact O-OG 3.39Å; I23-S26 PolarHBondContact O-N 3.47Å; S26-L29 PolarHBondContact O-N 3.46Å; S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.18Å; S26-L30 PolarHBondContact O-N 2.79Å
27V87Confident80.2Confident81 Ų81103.9 Ų103.949%0.49152%0.523SS..Hα-helixtrans-66.3-40.1174.6173.30000111I23 V24 I25 L29 L30 T31I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 WeakPolarHBondContact O-CB 3.33Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 2.7Å; V24-V27 PolarHBondContact O-N 3.23Å; I25-V27 PolarHBondContact O-N 2.82Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.33Å; V27-L30 PolarHBondContact O-N 3.31Å; V27-T31 HydrophobicContact CG1-CG2 4.23Å; V27-T31 WeakPolarHBondContact O-CB 3.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.31Å; V27-T31 PolarHBondContact O-N 2.76Å; V27-T31 PolarHBondContact O-OG1 2.82Å
28C81.4Confident78.4Confident77 Ų77106.3 Ų106.352%0.5253%0.525SS..Hα-helixtrans-61.8-40.6173.8-115.90000112.3V24 I25 T31 R32V24-C28 WeakPolarHBondContact O-CB 3.3Å; V24-C28 PolarHBondContact O-N 2.83Å; I25-C28 WeakPolarHBondContact O-CB 3.45Å; I25-C28 PolarHBondContact O-N 3.44Å; C28-T31 WeakPolarHBondContact CA-OG1 3.21Å; C28-T31 PolarHBondContact O-OG1 3.44Å; C28-R32 WeakPolarHBondContact O-CB 3.45Å; C28-R32 PolarHBondContact O-N 3.18Å
29L85.5Confident75.9Confident103 Ų103110.7 Ų110.754%0.53953%0.534SS..Hα-helixtrans-74.6-38.8178.2-69.1178.5000111.9I25 S26 V27 R32 R33I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.23Å; I25-L29 WeakPolarHBondContact O-CB 3.46Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 2.81Å; S26-L29 PolarHBondContact O-N 3.46Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.33Å; L29-R32 PolarHBondContact O-N 3.21Å; L29-R33 WeakPolarHBondContact O-CB 3.16Å; L29-R33 PolarHBondContact O-N 3.48Å
30L81.9Confident74Confident115 Ų115110.3 Ų110.360%0.60253%0.532SS*.Hα-helixtrans-66.5-40.4174.5-72.9172.8000111.4S26 V27 R33 R34S26-L30 VanDerWaalsContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CG 3.18Å; S26-L30 PolarHBondContact O-N 2.79Å; V27-L30 PolarHBondContact O-N 3.31Å; L30-R33 PolarHBondContact O-N 2.76Å; L30-R34 WeakPolarHBondContact O-CB 3.33Å; L30-R34 PolarHBondContact O-N 2.94Å
31T76.7Confident71.9Confident80 Ų80109.4 Ų109.449%0.49153%0.528SS..Hα-helixtrans-67-41.3174.151.80000111.4V27 C28 R33 R34 S35V27-T31 HydrophobicContact CG1-CG2 4.23Å; V27-T31 WeakPolarHBondContact O-CB 3.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.31Å; V27-T31 PolarHBondContact O-N 2.76Å; V27-T31 PolarHBondContact O-OG1 2.82Å; C28-T31 WeakPolarHBondContact CA-OG1 3.21Å; C28-T31 PolarHBondContact O-OG1 3.44Å; T31-R33 PolarHBondContact O-N 2.75Å; T31-R34 PolarHBondContact O-N 2.97Å; T31-S35 VanDerWaalsContact O-CB 3.28Å; T31-S35 WeakPolarHBondContact O-CB 3.47Å; T31-S35 PolarHBondContact O-N 2.71Å
32R77.2Confident69.7Low169 Ų169110.5 Ų110.564%0.63853%0.531SS*.Hα-helixtrans-61.5-40.9170-100.9179.5151.6177.6-4.1112.8C28 L29 S35 R36C28-R32 WeakPolarHBondContact O-CB 3.45Å; C28-R32 PolarHBondContact O-N 3.18Å; L29-R32 PolarHBondContact O-N 3.21Å; R32-S35 WeakPolarHBondContact O-CB 3.46Å; R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 3.42Å
33R73.5Confident67.5Low154 Ų154113 Ų11358%0.58154%0.54SS*.Hα-helixtrans-74.8-35.1-178.7-161.9174.7-178.6-176.1-4111.3L29 L30 T31 R36 Y37L29-R33 WeakPolarHBondContact O-CB 3.16Å; L29-R33 PolarHBondContact O-N 3.48Å; L30-R33 PolarHBondContact O-N 2.76Å; T31-R33 PolarHBondContact O-N 2.75Å; R33-R36 CarbonylContact O-C 3.56Å; R33-R36 PolarHBondContact O-N 3.17Å; R33-Y37 HydrophobicContact CG-CD2 3.9Å; R33-Y37 HydrophobicContact CG-CE2 3.91Å; R33-Y37 WeakPolarHBondContact O-CD2 3.28Å; R33-Y37 PolarHBondContact O-N 2.94Å
34R71.5Confident65.4Low189 Ų189111.2 Ų111.271%0.71354%0.54SS*.Hα-helixtrans-71.3-34.9174.1-156.3174.1-171.9176.91.6111.6L30 T31 Y37 R38L30-R34 WeakPolarHBondContact O-CB 3.33Å; L30-R34 PolarHBondContact O-N 2.94Å; T31-R34 PolarHBondContact O-N 2.97Å; R34-Y37 PolarHBondContact O-N 3.49Å; R34-R38 PolarHBondContact O-N 3.44Å
35S51.7Low63.3Low67 Ų67110.5 Ų110.547%0.46954%0.544SS..Hα-helixtrans-57.5-48.9164.7164.30000110.6T31 R32 Y37 Y39T31-S35 VanDerWaalsContact O-CB 3.28Å; T31-S35 WeakPolarHBondContact O-CB 3.47Å; T31-S35 PolarHBondContact O-N 2.71Å; R32-S35 WeakPolarHBondContact O-CB 3.46Å; S35-Y37 PolarHBondContact O-N 3.02Å; S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.81Å
36R63.1Low60.7Low171 Ų171108.5 Ų108.565%0.64554%0.536SS*.Hα-helixtrans-68.3-32.5176.8-68.2-174.3-163.8179.54.5114.8R32 R33 Y39 T40R32-R36 WeakPolarHBondContact O-CG 3.45Å; R32-R36 PolarHBondContact O-N 3.42Å; R33-R36 CarbonylContact O-C 3.56Å; R33-R36 PolarHBondContact O-N 3.17Å; R36-Y39 CarbonylContact O-C 3.37Å; R36-Y39 PolarHBondContact O-N 3.5Å; R36-T40 PolarHBondContact O-N 3.49Å; R36-T40 PolarHBondContact O-OG1 3.06Å
37Y46Very low59Low112 Ų112114.2 Ų114.244%0.43956%0.555SS.*Hα-helixtrans-74.1-33.2177.9-93.9-73.4000113.2R33 R34 S35 Y39 T40 N41R33-Y37 HydrophobicContact CG-CD2 3.9Å; R33-Y37 HydrophobicContact CG-CE2 3.91Å; R33-Y37 WeakPolarHBondContact O-CD2 3.28Å; R33-Y37 PolarHBondContact O-N 2.94Å; R34-Y37 PolarHBondContact O-N 3.49Å; S35-Y37 PolarHBondContact O-N 3.02Å; Y37-Y39 PolarHBondContact O-N 3.2Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.49Å; Y37-T40 PolarHBondContact O-N 2.88Å; Y37-T40 PolarHBondContact O-OG1 3.03Å; Y37-N41 WeakPolarHBondContact CD1-ND2 3.38Å; Y37-N41 WeakPolarHBondContact O-CB 3.3Å; Y37-N41 PolarHBondContact O-N 3.01Å
38R50.6Low56.9Low160 Ų160118.8 Ų118.860%0.60457%0.57SS**Hα-helixtrans-61.5-31.7167.7-81.2-172.9173.7178.5-3.4111.6R34R34-R38 PolarHBondContact O-N 3.44Å
39Y39.6Very low54.7Low149 Ų149121.5 Ų121.558%0.58458%0.575SS**Hα-helixtrans-81.7-7.6175.6-88.7-80.6000115.5S35 R36 Y37S35-Y39 WeakPolarHBondContact O-CD2 3.37Å; S35-Y39 PolarHBondContact O-N 2.81Å; R36-Y39 CarbonylContact O-C 3.37Å; R36-Y39 PolarHBondContact O-N 3.5Å; Y37-Y39 PolarHBondContact O-N 3.2Å
40T50Low52.2Low72 Ų72123.4 Ų123.444%0.44258%0.582SS.*Hα-helixtrans-117.9-23-180380000113.9R36 Y37 Q43R36-T40 PolarHBondContact O-N 3.49Å; R36-T40 PolarHBondContact O-OG1 3.06Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.49Å; Y37-T40 PolarHBondContact O-N 2.88Å; Y37-T40 PolarHBondContact O-OG1 3.03Å; T40-Q43 PolarHBondContact O-N 2.98Å
41N45.4Very low50Low88 Ų88128.4 Ų128.447%0.47160%0.598SS.*Hα-helixtrans-88.1-19.1-179.7-78-33.5000114.9Y37 Q43 A44 A45Y37-N41 WeakPolarHBondContact CD1-ND2 3.38Å; Y37-N41 WeakPolarHBondContact O-CB 3.3Å; Y37-N41 PolarHBondContact O-N 3.01Å; N41-Q43 PolarHBondContact O-N 3.18Å; N41-A44 PolarHBondContact O-N 3.33Å; N41-A44 VanDerWaalsContact O-N 3.14Å; N41-A45 WeakPolarHBondContact O-CB 3.48Å; N41-A45 PolarHBondContact O-N 3.46Å; N41-A45 VanDerWaalsContact O-N 3.07Å
42L43.5Very low48.1Very low101 Ų101130.9 Ų130.953%0.52961%0.608SS.*THydrogen-bonded Turntrans-63-28.7164.1-101.398.3000111.4A44L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.75Å
43Q44Very low45.9Very low155 Ų155133.7 Ų133.772%0.72462%0.619SS**THydrogen-bonded Turntrans-75.6-10.4174.7-76.4-176.6-30.400114.2T40 N41T40-Q43 PolarHBondContact O-N 2.98Å; N41-Q43 PolarHBondContact O-N 3.18Å
44A45.5Very low43.7Very low59 Ų59131.5 Ų131.549%0.48863%0.633SS.*THydrogen-bonded Turntrans-110-24.6179.400000113.7N41 L42 T46N41-A44 PolarHBondContact O-N 3.33Å; N41-A44 VanDerWaalsContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.75Å; A44-T46 PolarHBondContact O-N 3.35Å
45A42.4Very low42.1Very low75 Ų75128.7 Ų128.762%0.6264%0.637SS**THydrogen-bonded Turntrans-80.4-11.4-165.700000116.3N41N41-A45 WeakPolarHBondContact O-CB 3.48Å; N41-A45 PolarHBondContact O-N 3.46Å; N41-A45 VanDerWaalsContact O-N 3.07Å
46T35.2Very low41.1Very low49 Ų49133.4 Ų133.430%0.30165%0.652SS.*THydrogen-bonded Turntrans-117.36177.735.10000113.7A44 H48 F246A44-T46 PolarHBondContact O-N 3.35Å; T46-H48 PolarHBondContact O-N 3.11Å; T46-F246 HydrophobicContact CG2-CD1 4.38Å; T46-F246 HydrophobicContact CG2-CE1 4.22Å; T46-F246 WeakPolarHBondContact OG1-CD1 3.28Å; T46-F246 WeakPolarHBondContact OG1-CE1 3.31Å; T46-F246 WeakPolarHBondContact OG1-CZ 3.45Å
47F47.7Very low39.6Very low173 Ų173131.9 Ų131.976%0.75966%0.661SS**THydrogen-bonded Turntrans-64.53.7158.3-131.8-91.2000112.7
48H42.4Very low39.2Very low176 Ų176134.7 Ų134.782%0.81568%0.675SS**THydrogen-bonded Turntrans-130.228-172.4-137.3-59.3000115.8T46T46-H48 PolarHBondContact O-N 3.11Å
49Q35.5Very low38.2Very low134 Ų134132.7 Ų132.763%0.62668%0.684SS**SBendtrans-113.2112.5165.6-153.7164.6-17.100111.2R245Q49-R245 PolarHBondContact O-NH2 2.96Å
50E34.1Very low38.1Very low144 Ų144132.6 Ų132.667%0.67370%0.698SS**  trans70.189.1161.7-71.9177.614700119.5L52E50-L52 HydrophobicContact CB-CD1 4.17Å; E50-L52 HydrophobicContact CB-CG 4.24Å; E50-L52 HydrophobicContact CG-CD1 4.35Å; E50-L52 PolarHBondContact O-N 2.85Å
51K34Very low37.6Very low219 Ų219133.1 Ų133.195%0.95271%0.705SS**  trans-49.884.5134.8-173-180-174.7179.20109.9
52L38Very low37Very low132 Ų132133.7 Ų133.769%0.69172%0.715SS**  trans-114.5139.1162-81.1167.4000109.6E50E50-L52 HydrophobicContact CB-CD1 4.17Å; E50-L52 HydrophobicContact CB-CG 4.24Å; E50-L52 HydrophobicContact CG-CD1 4.35Å; E50-L52 PolarHBondContact O-N 2.85Å
53R30.4Very low36.8Very low229 Ų229138.2 Ų138.286%0.86473%0.731SS**  trans-56.5141-156.2-70.4169.2170.8147.6-4.3114.3T55R53-T55 PolarHBondContact O-N 3.19Å
54A28Very low36.5Very low107 Ų107139 Ų13988%0.88473%0.732SS**  trans-51.8118.4155.500000108.9
55T37Very low36Very low131 Ų131143.6 Ų143.680%0.80475%0.749SS**  trans-130.9119.8162.3-20.10000107.8R53R53-T55 PolarHBondContact O-N 3.19Å
56E30.4Very low35.9Very low166 Ų166144.7 Ų144.778%0.77676%0.757SS**  trans-41.1133.6178-167.8179.1156.500114.3K58E56-K58 PolarHBondContact O-N 3.13Å
57V31.6Very low36.1Very low138 Ų138147.5 Ų147.584%0.83679%0.785SS**  trans-75.5114.5169.71790000108.1
58K38Very low35.5Very low171 Ų171142.6 Ų142.674%0.74378%0.784SS**  trans-97.1135.1159.1-82.9-177.2177.7175.40109.6E56E56-K58 PolarHBondContact O-N 3.13Å
59P30.1Very low35.3Very low119 Ų119140.9 Ų140.977%0.77379%0.788SS**  trans-76.2133.6176.632.1-30.8000108.9S61P59-S61 PolarHBondContact O-N 2.66Å
60V37.4Very low35.2Very low147 Ų147138.1 Ų138.189%0.89180%0.796SS**  trans-86.4107.1170.3179.60000108.5
61S39.6Very low35.3Very low83 Ų83134.8 Ų134.858%0.5880%0.8SS**  trans-62.2143.7168.449.60000112.8P59P59-S61 PolarHBondContact O-N 2.66Å
62S31.7Very low35.6Very low99 Ų99132.8 Ų132.869%0.69280%0.799SS**  trans-34129.8161.5-178.90000114.7
63F39.5Very low35.7Very low196 Ų196136 Ų13686%0.8681%0.807SS**  trans-128.9116.8153-86.4-81.4000109.9
64K37.3Very low36Very low173 Ų173134.9 Ų134.975%0.75281%0.809SS**  trans-71.2138.4162.7-61.2172.7175.1176.90108.6
65N36Very low36.5Very low155 Ų155135.4 Ų135.483%0.82981%0.806SS**  162.2136.9118.5-80-18.5000113
66A39.2Very low36.3Very low97 Ų97134.8 Ų134.880%0.80280%0.804SS**  trans77.6103.1142.600000121.1
67A39.7Very low36.6Very low108 Ų108132.7 Ų132.789%0.89381%0.808SS**  70122.7121.400000121.8
68G36.8Very low36.7Very low71 Ų71131.6 Ų131.673%0.73280%0.803SS**  trans108.7136.7148.600000116G70G68-G70 PolarHBondContact O-N 3.35Å
69P37.9Very low36.7Very low139 Ų139132.6 Ų132.690%0.90381%0.813SS**PPolyproline II helixtrans-79.2123.2-152.532-33.6000113.3
70G33.6Very low36.7Very low76 Ų76136.6 Ų136.678%0.78482%0.822SS**PPolyproline II helixtrans-84.2116.6-175.600000113.9G68G68-G70 PolarHBondContact O-N 3.35Å
71G35.3Very low36.7Very low74 Ų74134.8 Ų134.876%0.76382%0.816SS**PPolyproline II helixtrans-66.1125154.600000110.1K73G71-K73 PolarHBondContact O-N 3.15Å
72L40Very low36.7Very low177 Ų177136.9 Ų136.993%0.92783%0.827SS**  trans-72.294.1179.5-78.8160000110.8
73K39.4Very low36.9Very low199 Ų199141.1 Ų141.187%0.86584%0.836SS**PPolyproline II helixtrans-77.7118.9157.9-73.1-175.4176.1-178.60108.7G71G71-K73 PolarHBondContact O-N 3.15Å
74K37.9Very low36.8Very low207 Ų207139.7 Ų139.790%0.984%0.837SS**PPolyproline II helixtrans-68.7128.2171.1-73176.3177.1174.50110.1
75S39.2Very low36.9Very low117 Ų117138.4 Ų138.482%0.81884%0.837SS**PPolyproline II helixtrans-84.6134.4166.5-48.30000110.1
76P32.5Very low36.7Very low118 Ų118138.9 Ų138.977%0.76684%0.839SS**PPolyproline II helixtrans-97.5152.1-174.436.8-32.3000113.1
77S36.2Very low36.8Very low122 Ų122141.4 Ų141.485%0.85384%0.838SS**  trans-165.5152.1161.5-82.40000110.9
78P34.5Very low36.3Very low115 Ų115143.8 Ų143.875%0.74784%0.836SS**  -120.9152.9-117.139-29.8000115
79M36.8Very low36.3Very low193 Ų193144.7 Ų144.795%0.95183%0.831SS**  trans175.4106.6140.4-100.2167.169.500109
80Q31.1Very low36.3Very low203 Ų203144.5 Ų144.595%0.94983%0.827SS**  trans-93.2137.3167.2-84.4174.9-17.900109.1
81S37.2Very low36.3Very low109 Ų109144.9 Ų144.976%0.76282%0.823SS**  trans-116.7145.9154.252.50000107.7
82P39.3Very low36.3Very low126 Ų126146.6 Ų146.682%0.81882%0.822SS**PPolyproline II helixtrans-79.2135.9-149-925.8000113.5
83E35.4Very low36.1Very low189 Ų189147.3 Ų147.388%0.88382%0.818SS**PPolyproline II helixtrans-75.4127.2158.9-77.4176154.100108.8
84N37.4Very low35.6Very low166 Ų166146.3 Ų146.389%0.88882%0.816SS**PPolyproline II helixtrans-86.9135.2165.7-96.9-31.1000109.3
85I39.9Very low35.5Very low145 Ų145144.8 Ų144.874%0.74482%0.816SS**PPolyproline II helixtrans-78131.5-171.1-65.1163000110.1I87I85-I87 HydrophobicContact CG2-CD1 4.42Å; I85-I87 HydrophobicContact CG2-CG1 3.87Å
86D31.4Very low35.2Very low165 Ų165147.5 Ų147.588%0.88282%0.816SS**PPolyproline II helixtrans-70.1123.3160.7-80.4-42000109.6
87I41.6Very low35.2Very low150 Ų150147.9 Ų147.977%0.76982%0.818SS**  trans-124.2106160.1-58.2-178.1000107.3I85I85-I87 HydrophobicContact CG2-CD1 4.42Å; I85-I87 HydrophobicContact CG2-CG1 3.87Å
88D30Very low35.2Very low159 Ų159152 Ų15285%0.8582%0.821SS**  trans-81.5125164.7-159.711.7000108
89S36.6Very low35Very low90 Ų90153.9 Ų153.963%0.62982%0.824SS**  trans175.6109.9142.171.30000111.6
90T36.7Very low35Very low135 Ų135153 Ų15383%0.82882%0.824SS**  59.9123.4128.1-120000120.7
91A34.3Very low35Very low84 Ų84154 Ų15469%0.69482%0.819SS**  112.7116.6129.400000118.7
92C35.1Very low35Very low109 Ų109158.3 Ų158.374%0.73683%0.829SS**  trans96.3103.9134.3-69.30000121.1
93K35.5Very low34.5Very low192 Ų192160.1 Ų160.184%0.83583%0.827SS**  82.3115121.8-68.4-177.3178.1-178.30120.2
94E28.6Very low34.5Very low179 Ų179155.1 Ų155.184%0.83682%0.818SS**  trans-8.2138.8144.9-72.9171.1128.500118.1
95I36.2Very low34.3Very low175 Ų175152.6 Ų152.690%0.89781%0.813SS**  -159.5140.5124.7-87.4140.9000109.1
96Q32.6Very low33.9Very low174 Ų174153.1 Ų153.181%0.81382%0.816SS**  trans-71.9166.1-174.4-66.1-175.4-7.600115.4
97P33Very low33.8Very low125 Ų125150.3 Ų150.381%0.81281%0.81SS**  trans-91.3150.4-179.736.1-30.7000113
98K36.3Very low33.3Very low210 Ų210151.8 Ų151.891%0.91381%0.813SS**  trans-119.5129.5164.9-88.4-175.4175.3179.60110.6
99N30.1Very low33.1Very low153 Ų153149.7 Ų149.782%0.81881%0.81SS**  trans-58.9150.3165.2-74-29.2000111.1
100D37.1Very low32.8Very low175 Ų175152 Ų15294%0.93682%0.82SS**  trans-151.9148.7134.6-92.4-34000111.4
101R31.2Very low32.2Very low224 Ų224151.4 Ų151.485%0.84582%0.816SS**  trans-117.3134.8-159.3-172.7-174.7-170.9178.81.3106.8
102M36.1Very low32.1Very low199 Ų199156.6 Ų156.698%0.9883%0.826SS**  trans-151.3148.5156.9-122171.790.700111.7
103E29.4Very low32Very low165 Ų165156.7 Ų156.777%0.77183%0.828SS**  trans-124.2162.2-148.5-165174.6-148.300109.5
104A35.1Very low31.6Very low84 Ų84155.2 Ų155.269%0.69483%0.829SS**  trans94.8135146.600000122.1
105S34.2Very low31.7Very low113 Ų113155.8 Ų155.879%0.7983%0.832SS**  trans89.7142.3145.676.30000118
106L30Very low31.4Very low155 Ų155156.3 Ų156.381%0.81283%0.83SS**  cis177.2143.5-31.2-116.7164000104.4
107S29.4Very low31.2Very low106 Ų106157.3 Ų157.374%0.74183%0.832SS**  trans62.9145.2163.254.20000117.8
108E32.6Very low31.2Very low182 Ų182162.3 Ų162.385%0.8584%0.836SS**  cis-165147.628.5-141.6164.9-168.900111
109C24.6Very low31Very low114 Ų114157 Ų15777%0.7783%0.826SS**  trans5.5134.9159.3-1330000122
110V30.6Very low31.1Very low139 Ų139154.4 Ų154.484%0.84283%0.825SS**  -164.8130.5116.1172.80000109.1
111T25Very low31Very low122 Ų122152 Ų15275%0.74881%0.811SS**  trans-70.5131.4172420000112.7
112E32Very low30.9Very low194 Ų194147.6 Ų147.691%0.90780%0.804SS**  trans-158.7156.3150-118.5171-158.800112.3
113S32.9Very low30.8Very low110 Ų110146.8 Ų146.877%0.76979%0.791SS**  trans-70.2148.4-153.842.10000118.2
114N25.8Very low31Very low161 Ų161147.1 Ų147.186%0.86179%0.789SS**  trans-32.5122.8160.3-137.63.9000114.9
115E31.9Very low31.1Very low191 Ų191151.3 Ų151.389%0.89380%0.795SS**  trans-153.7131150.2-115.6179.7-161.100111.7
116Q29.9Very low31.6Very low186 Ų186151.5 Ų151.587%0.86979%0.787SS**  trans-64.6132.1-170.6-69.5163.5-47.500112.6
117K28.5Very low32.5Very low196 Ų196151.3 Ų151.385%0.85278%0.782SS**  trans-12569.6169.3-153.6174.8-172176.30110.5S119K117-S119 PolarHBondContact O-N 3.01Å
118Y31.6Very low33.7Very low230 Ų230146.9 Ų146.990%0.90275%0.753SS**  trans-80.693154.6-84.7-81000107.3
119S32.6Very low34.9Very low98 Ų98142 Ų14269%0.68574%0.735SS**  trans-56.8135171.6500000110.5K117 I121K117-S119 PolarHBondContact O-N 3.01Å; S119-I121 PolarHBondContact O-N 3.18Å
120A32.8Very low36.4Very low98 Ų98141.1 Ų141.181%0.8172%0.72SS**  trans-45126.9178.200000112.8D122A120-D122 PolarHBondContact O-N 3.31Å
121I35.4Very low37.9Very low126 Ų126135.3 Ų135.365%0.64668%0.684SS**  trans-66.3112.1165.9-63.2167.1000106.8S119 W123S119-I121 PolarHBondContact O-N 3.18Å; I121-W123 HydrophobicContact CG2-CD2 4.48Å; I121-W123 HydrophobicContact CG2-CZ2 4.48Å; I121-W123 VanDerWaalsContact O-CD1 3.28Å; I121-W123 PolarHBondContact O-N 3.5Å
122D29.3Very low39.6Very low130 Ų130131 Ų13170%0.69566%0.656SS**  trans-65.6105169.6-173.627.5000108.5A120 K124A120-D122 PolarHBondContact O-N 3.31Å; D122-K124 PolarHBondContact O-N 2.9Å; D122-K124 VanDerWaalsContact O-N 3.11Å
123W32.5Very low41Very low183 Ų183124.9 Ų124.969%0.69363%0.629SS**  trans-79.687.3173.3-60.492.6000107.8I121 E125I121-W123 HydrophobicContact CG2-CD2 4.48Å; I121-W123 HydrophobicContact CG2-CZ2 4.48Å; I121-W123 VanDerWaalsContact O-CD1 3.28Å; I121-W123 PolarHBondContact O-N 3.5Å; W123-E125 PolarHBondContact O-N 3.2Å
124K34.7Very low42.1Very low171 Ų171122.3 Ų122.374%0.74361%0.605SS**  trans-65.4123.7157-81-176.9176.2176.20107.5D122 D126D122-K124 PolarHBondContact O-N 2.9Å; D122-K124 VanDerWaalsContact O-N 3.11Å; K124-D126 PolarHBondContact O-N 3.21Å
125E37.3Very low43.7Very low173 Ų173115.2 Ų115.281%0.80857%0.567SS**  trans-61.983.8170.3-71.1173.4166.500108.2W123W123-E125 PolarHBondContact O-N 3.2Å
126D43.1Very low44.9Very low116 Ų116108.4 Ų108.462%0.6254%0.543SS*.  trans-79.5120.9174.4-165.32.8000106.8K124 G128 V129K124-D126 PolarHBondContact O-N 3.21Å; D126-G128 PolarHBondContact O-N 3.37Å; D126-V129 HydrophobicContact CB-CG2 4.39Å; D126-V129 PolarHBondContact O-N 3.25Å
127E49.7Very low46Very low151 Ų151107.3 Ų107.371%0.70653%0.532SS*.Hα-helixtrans-49.1-23.5179.2-69.4-170.8170.500112.5V129E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.41Å
128G54.6Low47.3Very low14 Ų14102.3 Ų102.314%0.14451%0.512CS..Hα-helixtrans-65.8-22.3175.100000115.5D126 D132 K342D126-G128 PolarHBondContact O-N 3.37Å; G128-D132 WeakPolarHBondContact O-CB 3.44Å; G128-D132 PolarHBondContact O-N 3.4Å; G128-K342 PolarHBondContact O-NZ 3.36Å
129V57.2Low48.2Very low78 Ų7895.6 Ų95.647%0.47349%0.49SS..Hα-helixtrans-75.2-40.3-179.3179.30000111D126 E127 D132 I133D126-V129 HydrophobicContact CB-CG2 4.39Å; D126-V129 PolarHBondContact O-N 3.25Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.41Å; V129-D132 PolarHBondContact O-N 3.41Å; V129-I133 HydrophobicContact CG1-CD1 3.95Å; V129-I133 HydrophobicContact CG1-CG1 4.49Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.14Å
130E58.2Low49.1Very low97 Ų97101.3 Ų101.345%0.45350%0.496SS..Hα-helixtrans-69.4-42.6179.8-170.6162.4-136.600111.6D132 I133 E134 L247E130-D132 PolarHBondContact O-N 3.37Å; E130-I133 PolarHBondContact O-N 3.45Å; E130-E134 WeakPolarHBondContact O-CB 3.26Å; E130-E134 PolarHBondContact O-N 2.84Å; E130-L247 VanDerWaalsContact CD-CD2 3.49Å; E130-L247 WeakPolarHBondContact OE1-CD2 3.43Å
131E61Low49.7Very low17 Ų17100 Ų1008%0.07949%0.485CS..Hα-helixtrans-57.2-40.8172.2-166.7-176.1-134.800110.8E134 I135 R248 K330 N390E131-E134 PolarHBondContact O-N 3.29Å; E131-I135 HydrophobicContact CG-CD1 4.05Å; E131-I135 WeakPolarHBondContact O-CB 3.31Å; E131-I135 WeakPolarHBondContact O-CD1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.11Å; E131-I135 PolarHBondContact O-N 3.18Å; E131-R248 IonicContact OE1-CZ 2.88Å; E131-R248 IonicContact OE1-NH1 3.73Å; E131-R248 PolarHBondContact OE1-NH1 3.02Å; E131-R248 IonicContact OE1-NH2 2.84Å; E131-K330 IonicContact OE2-NZ 2.79Å; E131-K330 PolarHBondContact OE2-NZ 2.72Å; E131-N390 PolarHBondContact OE1-ND2 3.07Å
132D61.7Low50.1Low30 Ų3098 Ų9816%0.1648%0.476CS..Hα-helixtrans-70.6-36.9179.5-68.6-4.2000112.5G128 V129 E130 A136 K330 Y332 K342G128-D132 WeakPolarHBondContact O-CB 3.44Å; G128-D132 PolarHBondContact O-N 3.4Å; V129-D132 PolarHBondContact O-N 3.41Å; E130-D132 PolarHBondContact O-N 3.37Å; D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 2.91Å; D132-A136 VanDerWaalsContact O-N 3.08Å; D132-K330 IonicContact OD1-NZ 3.91Å; D132-K330 PolarHBondContact OD1-NZ 2.83Å; D132-Y332 PolarHBondContact OD1-OH 2.88Å; D132-Y332 WeakPolarHBondContact OD2-CE1 3.23Å; D132-Y332 PolarHBondContact OD2-OH 2.91Å; D132-K342 IonicContact OD1-NZ 2.66Å; D132-K342 PolarHBondContact OD1-NZ 2.69Å; D132-K342 IonicContact OD2-NZ 3.25Å; D132-K342 PolarHBondContact OD2-NZ 3.2Å
133I59.6Low50.9Low66 Ų66100.2 Ų100.234%0.33848%0.482SS..Hα-helixtrans-66-45.1174.2-70.2165.6000110.2V129 E130 A136 Y137V129-I133 HydrophobicContact CG1-CD1 3.95Å; V129-I133 HydrophobicContact CG1-CG1 4.49Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.14Å; E130-I133 PolarHBondContact O-N 3.45Å; I133-A136 WeakPolarHBondContact O-CB 3.2Å; I133-A136 PolarHBondContact O-N 3.22Å; I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.96Å; I133-Y137 WeakPolarHBondContact O-CD2 3.41Å; I133-Y137 PolarHBondContact O-N 3.42Å
134E57.2Low51.5Low57 Ų57100.1 Ų100.127%0.26649%0.487SS..Hα-helixtrans-69.7-39.6-176.6-157.6-173.3-156.900111.4E130 E131 A136 Y137 E138 K389E130-E134 WeakPolarHBondContact O-CB 3.26Å; E130-E134 PolarHBondContact O-N 2.84Å; E131-E134 PolarHBondContact O-N 3.29Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.01Å; E134-Y137 PolarHBondContact O-N 2.86Å; E134-Y137 VanDerWaalsContact O-N 3.16Å; E134-E138 WeakPolarHBondContact O-CG 3.31Å; E134-E138 PolarHBondContact O-N 2.78Å; E134-K389 VanDerWaalsContact CD-NZ 3.3Å; E134-K389 WeakPolarHBondContact OE2-CE 3.49Å; E134-K389 IonicContact OE2-NZ 2.76Å; E134-K389 PolarHBondContact OE2-NZ 3Å
135I59.3Low52.3Low12 Ų1295.5 Ų95.56%0.06249%0.487CS..Hα-helixtrans-57.2-46169.4-69.7164.5000110E131 Y137 E138 M139 M382 V392E131-I135 HydrophobicContact CG-CD1 4.05Å; E131-I135 WeakPolarHBondContact O-CB 3.31Å; E131-I135 WeakPolarHBondContact O-CD1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.11Å; E131-I135 PolarHBondContact O-N 3.18Å; I135-Y137 VanDerWaalsContact C-N 3.26Å; I135-Y137 PolarHBondContact O-N 3.47Å; I135-E138 PolarHBondContact O-N 2.96Å; I135-M139 HydrophobicContact CG2-CG 4.41Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 VanDerWaalsContact O-CG 3.25Å; I135-M139 WeakPolarHBondContact O-CG 3.35Å; I135-M139 PolarHBondContact O-N 2.89Å; I135-M382 HydrophobicContact CD1-CE 4.04Å; I135-V392 HydrophobicContact CG2-CG2 3.74Å
136A56.5Low53.4Low48 Ų4890.7 Ų90.740%0.39747%0.473SS..Hα-helixtrans-63.4-31178.200000113.2D132 I133 E134 R140D132-A136 WeakPolarHBondContact O-CB 3.39Å; D132-A136 PolarHBondContact O-N 2.91Å; D132-A136 VanDerWaalsContact O-N 3.08Å; I133-A136 WeakPolarHBondContact O-CB 3.2Å; I133-A136 PolarHBondContact O-N 3.22Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.01Å; A136-R140 WeakPolarHBondContact O-CG 3.37Å
137Y54Low54.9Low162 Ų16288 Ų8864%0.63546%0.463SS*.Hα-helixtrans-73.7-44.3173.5-96.6-80.6000112.5I133 E134 I135 M139 R140 A141I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.96Å; I133-Y137 WeakPolarHBondContact O-CD2 3.41Å; I133-Y137 PolarHBondContact O-N 3.42Å; E134-Y137 PolarHBondContact O-N 2.86Å; E134-Y137 VanDerWaalsContact O-N 3.16Å; I135-Y137 VanDerWaalsContact C-N 3.26Å; I135-Y137 PolarHBondContact O-N 3.47Å; Y137-M139 VanDerWaalsContact C-N 3.28Å; Y137-M139 PolarHBondContact O-N 3.03Å; Y137-R140 PolarHBondContact O-N 2.86Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.05Å
138E54.2Low56.6Low92 Ų9281 Ų8143%0.4343%0.431SS..Hα-helixtrans-60.6-38.6176.4-76.3169.2-178.400111.5E134 I135 R140 A141 K389E134-E138 WeakPolarHBondContact O-CG 3.31Å; E134-E138 PolarHBondContact O-N 2.78Å; I135-E138 PolarHBondContact O-N 2.96Å; E138-R140 PolarHBondContact O-N 2.83Å; E138-A141 PolarHBondContact O-N 3.28Å; E138-K389 IonicContact OE1-NZ 3.33Å; E138-K389 PolarHBondContact OE1-NZ 2.93Å; E138-K389 IonicContact OE2-NZ 2.8Å; E138-K389 PolarHBondContact OE2-NZ 3.18Å
139M51.9Low58.3Low88 Ų8880.4 Ų80.443%0.43342%0.424SS..THydrogen-bonded Turntrans-63.3-19.6174.3-70.6179.683.600113.9I135 Y137 R395I135-M139 HydrophobicContact CG2-CG 4.41Å; I135-M139 HydrophobicContact CG2-SD 4.12Å; I135-M139 VanDerWaalsContact O-CG 3.25Å; I135-M139 WeakPolarHBondContact O-CG 3.35Å; I135-M139 PolarHBondContact O-N 2.89Å; Y137-M139 VanDerWaalsContact C-N 3.28Å; Y137-M139 PolarHBondContact O-N 3.03Å; M139-R395 VanDerWaalsContact CE-NH1 3.33Å
140R50.3Low60.1Low218 Ų21879.6 Ų79.682%0.82341%0.414SS*.THydrogen-bonded Turntrans-101.7-21.3179.1-69.6179.4-179.6-176.71.3113.4A136 Y137 E138 D142A136-R140 WeakPolarHBondContact O-CG 3.37Å; Y137-R140 PolarHBondContact O-N 2.86Å; E138-R140 PolarHBondContact O-N 2.83Å; R140-D142 PolarHBondContact O-N 3.03Å
141A46Very low61.9Low70 Ų7075 Ų7558%0.57939%0.393SS*.  trans-9468.2-175.800000110.2Y137 E138Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 3.05Å; E138-A141 PolarHBondContact O-N 3.28Å
142D45.1Very low63.6Low84 Ų8479.8 Ų79.845%0.44941%0.41SS..  trans-13875.9-172.5-161.518.9000112.3R140 Q285R140-D142 PolarHBondContact O-N 3.03Å; D142-Q285 PolarHBondContact OD1-NE2 3.09Å; D142-Q285 PolarHBondContact OD1-OE1 2.92Å; D142-Q285 PolarHBondContact OD2-NE2 2.93Å
143E44.3Very low65.3Low178 Ų17878.3 Ų78.383%0.83240%0.402SS*.  trans-148.3118.8159.4-69.3-165.7175.300110.5
144K46.3Very low67.1Low181 Ų18178.8 Ų78.879%0.78740%0.4SS*.  trans97.1110.7168.3-56.4179.7-177.6-179.10116.5S146K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.29Å; K144-S146 PolarHBondContact O-OG 2.76Å
145G51.3Low68.9Low73 Ų7376.1 Ų76.175%0.75339%0.387SS*.  trans-56.778.4174.900000113.4
146S61.2Low70.6Confident73 Ų7377.6 Ų77.651%0.5140%0.395SS..  trans-85.6125.6-177.7-58.30000109K144 C148K144-S146 VanDerWaalsContact C-N 3.25Å; K144-S146 PolarHBondContact O-N 3.29Å; K144-S146 PolarHBondContact O-OG 2.76Å; S146-C148 PolarHBondContact O-N 2.72Å
147S74.1Confident72.4Confident59 Ų5975.3 Ų75.341%0.41338%0.376SS..  trans-47.5136.4170.2175.40000110.3G149 I175S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact OG-N 2.78Å; S147-I175 VanDerWaalsContact O-CD1 3.28Å; S147-I175 WeakPolarHBondContact O-CD1 3.32Å
148C84.4Confident74.3Confident5 Ų568.1 Ų68.13%0.03435%0.348CS..  trans-92.214.1179.3-63.50000112.9S146 I252 L277 N279S146-C148 PolarHBondContact O-N 2.72Å; C148-I252 HydrophobicContact CB-CG2 4.49Å; C148-I252 WeakPolarHBondContact CB-O 3.38Å; C148-I252 PolarHBondContact SG-O 2.56Å; C148-I252 VanDerWaalsContact SG-O 3.32Å; C148-L277 HydrophobicContact CB-CB 3.81Å; C148-L277 WeakPolarHBondContact CB-O 3.41Å; C148-L277 PolarHBondContact N-O 2.9Å; C148-N279 VanDerWaalsContact SG-CB 3.59Å; C148-N279 PolarHBondContact SG-N 2.81Å
149G90.8Very high76.1Confident0 Ų067 Ų670%034%0.343CS..  trans95.7-168.4-174.100000112.6S147 S172 E173 L277S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact OG-N 2.78Å; G149-S172 CarbonylContact C-O 3.6Å; G149-S172 VanDerWaalsContact CA-O 3.22Å; G149-S172 WeakPolarHBondContact CA-O 3.32Å; G149-E173 WeakPolarHBondContact CA-O 3.31Å; G149-L277 WeakPolarHBondContact O-CB 3.28Å; G149-L277 PolarHBondContact O-N 2.9Å
150K94.5Very high77.9Confident61 Ų6171.1 Ų71.127%0.26536%0.36SS..EExtended strand (participates in β ladder)trans-129.8149.3-177.3-53.9-175.2-179.7159.90111A171 S172 I275 D276K150-A171 CarbonylContact O-C 3.39Å; K150-A171 WeakPolarHBondContact O-CA 3.14Å; K150-A171 WeakPolarHBondContact O-CB 3.46Å; K150-S172 PolarHBondContact N-O 3.16Å; K150-S172 PolarHBondContact O-N 3.32Å; K150-I275 CarbonylContact C-O 3.56Å; K150-I275 WeakPolarHBondContact CA-O 3.48Å; K150-D276 WeakPolarHBondContact CD-OD1 3.27Å; K150-D276 WeakPolarHBondContact CE-OD1 3.43Å; K150-D276 WeakPolarHBondContact CG-OD1 3.26Å
151L96.2Very high79.9Confident0 Ų066.8 Ų66.80%035%0.348CS..EExtended strand (participates in β ladder)trans-119.3126.2174.9-179.268.4000110Y153 I168 A171 V192 F238 N274 I275 L277L151-Y153 HydrophobicContact CD2-CD1 4.46Å; L151-Y153 HydrophobicContact CG-CD1 4.35Å; L151-I168 HydrophobicContact CD1-CG2 4.35Å; L151-A171 HydrophobicContact CD1-CB 4.14Å; L151-V192 HydrophobicContact CD1-CG2 3.95Å; L151-V192 HydrophobicContact CD2-CG1 4.21Å; L151-F238 HydrophobicContact CD2-CB 3.49Å; L151-F238 VanDerWaalsContact CD2-CB 3.49Å; L151-F238 HydrophobicContact CD2-CD1 3.66Å; L151-F238 HydrophobicContact CD2-CD2 3.98Å; L151-F238 HydrophobicContact CD2-CE1 4.34Å; L151-F238 HydrophobicContact CD2-CG 3.43Å; L151-F238 VanDerWaalsContact CD2-CG 3.43Å; L151-N274 WeakPolarHBondContact O-CA 3.25Å; L151-I275 HydrophobicContact CB-CG2 4.02Å; L151-I275 PolarHBondContact N-O 2.78Å; L151-I275 PolarHBondContact O-N 2.98Å; L151-L277 HydrophobicContact CB-CD2 4.13Å; L151-L277 HydrophobicContact CB-CG 4.43Å
152R97.6Very high82.1Confident118 Ų11866.2 Ų66.245%0.44534%0.335SS..EExtended strand (participates in β ladder)trans-103.7129.5172.6-67.2-167.5-58.1-179-0.4110.8I169 S170 I273 N274R152-I169 HydrophobicContact CB-CB 4.2Å; R152-I169 WeakPolarHBondContact O-CB 3.44Å; R152-I169 PolarHBondContact O-N 3.36Å; R152-S170 PolarHBondContact N-O 3.2Å; R152-S170 PolarHBondContact NE-OG 2.79Å; R152-S170 PolarHBondContact NH2-OG 2.93Å; R152-S170 PolarHBondContact O-N 3.47Å; R152-I273 WeakPolarHBondContact CA-O 3.45Å; R152-N274 HydrophobicContact CG-CB 4.03Å; R152-N274 VanDerWaalsContact CG-OD1 3.27Å; R152-N274 WeakPolarHBondContact CG-OD1 3.42Å
153Y97Very high84.4Confident0 Ų062.3 Ų62.30%031%0.314CS..EExtended strand (participates in β ladder)trans-150.5162.6177.164.9-80.2000110.4L151 L155 V166 H167 F238 C257 I273 I275L151-Y153 HydrophobicContact CD2-CD1 4.46Å; L151-Y153 HydrophobicContact CG-CD1 4.35Å; Y153-L155 HydrophobicContact CD2-CD1 4.46Å; Y153-L155 HydrophobicContact CD2-CD2 4.08Å; Y153-L155 HydrophobicContact CD2-CG 3.93Å; Y153-L155 HydrophobicContact CE2-CD1 3.78Å; Y153-L155 HydrophobicContact CE2-CD2 4.11Å; Y153-L155 HydrophobicContact CE2-CG 3.75Å; Y153-V166 HydrophobicContact CD2-CG1 4.43Å; Y153-H167 CarbonylContact C-O 3.53Å; Y153-H167 WeakPolarHBondContact CA-O 3.32Å; Y153-H167 WeakPolarHBondContact CB-O 3.39Å; Y153-F238 HydrophobicContact CD1-CE2 4.03Å; Y153-F238 AromaticContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD2-CE1 4.47Å; Y153-F238 HydrophobicContact CD2-CE2 4.26Å; Y153-F238 AromaticContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CE1-CD2 4.42Å; Y153-F238 AromaticContact CE1-CE2 3.62Å; Y153-F238 HydrophobicContact CE1-CE2 3.62Å; Y153-F238 AromaticContact CE1-CZ 3.9Å; Y153-F238 HydrophobicContact CE1-CZ 3.9Å; Y153-F238 AromaticContact CE2-CE2 3.85Å; Y153-F238 HydrophobicContact CE2-CE2 3.85Å; Y153-F238 AromaticContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CG-CE1 4.37Å; Y153-F238 HydrophobicContact CG-CE2 4.34Å; Y153-F238 AromaticContact CG-CZ 3.76Å; Y153-F238 HydrophobicContact CG-CZ 3.76Å; Y153-F238 AromaticContact CZ-CE2 3.52Å; Y153-F238 AromaticContact CZ-CZ 3.76Å; Y153-C257 WeakPolarHBondContact OH-CB 3.3Å; Y153-C257 PolarHBondContact OH-SG 3.46Å; Y153-I273 HydrophobicContact CD1-CB 4.42Å; Y153-I273 HydrophobicContact CE1-CB 3.87Å; Y153-I273 HydrophobicContact CE1-CG2 3.75Å; Y153-I273 HydrophobicContact CE2-CB 4.04Å; Y153-I273 HydrophobicContact CE2-CD1 3.77Å; Y153-I273 HydrophobicContact CE2-CG1 4.38Å; Y153-I273 HydrophobicContact CE2-CG2 4.48Å; Y153-I273 PolarHBondContact N-O 2.92Å; Y153-I273 PolarHBondContact O-N 2.85Å; Y153-I273 WeakPolarHBondContact OH-CG2 3.12Å; Y153-I275 HydrophobicContact CD1-CG2 4.43Å; Y153-I275 HydrophobicContact CE1-CB 4.39Å; Y153-I275 HydrophobicContact CE1-CG2 3.74Å
154R96.6Very high86.7Confident76 Ų7653.9 Ų53.929%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-122.6141177.7169.5-170.8-62.4138.58.9109.9I156 H167 I169 A270 I271 D272R154-I156 HydrophobicContact CG-CG1 4.35Å; R154-H167 HydrophobicContact CB-CB 4.05Å; R154-H167 PolarHBondContact N-O 2.81Å; R154-H167 PolarHBondContact O-N 2.92Å; R154-I169 HydrophobicContact CB-CD1 4.34Å; R154-A270 HydrophobicContact CG-CB 3.96Å; R154-I271 CarbonylContact C-O 3.56Å; R154-I271 VanDerWaalsContact CA-O 3.26Å; R154-I271 WeakPolarHBondContact CA-O 2.99Å; R154-D272 VanDerWaalsContact CB-OD1 3.26Å; R154-D272 WeakPolarHBondContact CB-OD1 3.46Å; R154-D272 VanDerWaalsContact CG-OD1 3.23Å; R154-D272 WeakPolarHBondContact CG-OD1 3.22Å; R154-D272 IonicContact CZ-OD1 3.81Å; R154-D272 IonicContact NE-OD1 3.77Å; R154-D272 PolarHBondContact NE-OD1 2.87Å; R154-D272 IonicContact NE-OD2 2.86Å; R154-D272 IonicContact NH2-OD1 2.7Å; R154-D272 PolarHBondContact NH2-OD1 2.81Å; R154-D272 IonicContact NH2-OD2 2.78Å; R154-D272 PolarHBondContact NH2-OD2 3.38Å
155L95.4Very high89Confident0 Ų046.6 Ų46.60%025%0.246CC..EExtended strand (participates in β ladder)trans-115.9137176.3-65175.8000110.7Y153 L164 T165 V166 L236 L259 L262 L264 A270 I271 I273Y153-L155 HydrophobicContact CD2-CD1 4.46Å; Y153-L155 HydrophobicContact CD2-CD2 4.08Å; Y153-L155 HydrophobicContact CD2-CG 3.93Å; Y153-L155 HydrophobicContact CE2-CD1 3.78Å; Y153-L155 HydrophobicContact CE2-CD2 4.11Å; Y153-L155 HydrophobicContact CE2-CG 3.75Å; L155-L164 HydrophobicContact CD2-CD1 4.44Å; L155-T165 WeakPolarHBondContact CA-O 3.47Å; L155-V166 HydrophobicContact CD2-CB 4.05Å; L155-V166 HydrophobicContact CD2-CG1 3.87Å; L155-V166 HydrophobicContact CD2-CG2 3.57Å; L155-L236 HydrophobicContact CD2-CD2 3.74Å; L155-L259 HydrophobicContact CD1-CD2 3.86Å; L155-L262 HydrophobicContact CD1-CD1 3.27Å; L155-L264 HydrophobicContact CB-CD2 4.31Å; L155-A270 WeakPolarHBondContact O-CA 3.39Å; L155-I271 PolarHBondContact N-O 2.9Å; L155-I271 PolarHBondContact O-N 2.81Å; L155-I273 HydrophobicContact CD1-CD1 3.89Å; L155-I273 HydrophobicContact CG-CD1 4.49Å
156I94.5Very high91.1Very high43 Ų4343.1 Ų43.122%0.22121%0.21CC..EExtended strand (participates in β ladder)trans-137129174-57.7166.9000107.4R154 T165 A270R154-I156 HydrophobicContact CG-CG1 4.35Å; I156-T165 PolarHBondContact N-O 3.5Å; I156-T165 PolarHBondContact O-N 3.46Å; I156-A270 HydrophobicContact CD1-CB 4.27Å; I156-A270 HydrophobicContact CG1-CB 3.93Å
157Y94.4Very high92.9Very high1 Ų140.4 Ų40.40%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-111.5127.9173.6-176.5-107.8000110.8F159 N162 A163 L164 I226 Y228 L231 N268Y157-F159 HydrophobicContact CD1-CD1 4.33Å; Y157-F159 AromaticContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CE1 4.23Å; Y157-F159 AromaticContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CG 4.05Å; Y157-F159 AromaticContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CE1-CB 4.41Å; Y157-F159 AromaticContact CE1-CD1 3.68Å; Y157-F159 HydrophobicContact CE1-CD1 3.68Å; Y157-F159 AromaticContact CE1-CD2 3.76Å; Y157-F159 HydrophobicContact CE1-CD2 3.76Å; Y157-F159 AromaticContact CE1-CE1 3.77Å; Y157-F159 HydrophobicContact CE1-CE1 3.77Å; Y157-F159 AromaticContact CE1-CE2 3.89Å; Y157-F159 HydrophobicContact CE1-CE2 3.89Å; Y157-F159 AromaticContact CE1-CG 3.68Å; Y157-F159 HydrophobicContact CE1-CG 3.68Å; Y157-F159 AromaticContact CE1-CZ 3.88Å; Y157-F159 HydrophobicContact CE1-CZ 3.88Å; Y157-N162 PolarHBondContact OH-OD1 2.94Å; Y157-A163 WeakPolarHBondContact CD2-O 3.37Å; Y157-L164 HydrophobicContact CD2-CB 4.26Å; Y157-L164 HydrophobicContact CD2-CD1 4.48Å; Y157-I226 WeakPolarHBondContact CE2-O 3.49Å; Y157-I226 PolarHBondContact OH-O 2.77Å; Y157-Y228 HydrophobicContact CD1-CD2 4.31Å; Y157-Y228 HydrophobicContact CE1-CD2 4.08Å; Y157-Y228 PolarHBondContact OH-N 3.34Å; Y157-Y228 VanDerWaalsContact OH-N 3.13Å; Y157-L231 HydrophobicContact CD1-CD1 4.1Å; Y157-L231 HydrophobicContact CD2-CD1 3.56Å; Y157-L231 HydrophobicContact CE1-CD1 4.17Å; Y157-L231 HydrophobicContact CE2-CD1 3.61Å; Y157-L231 HydrophobicContact CE2-CG 4.32Å; Y157-L231 HydrophobicContact CG-CD1 3.8Å; Y157-N268 PolarHBondContact O-N 3.34Å
158D93.6Very high94Very high10 Ų1037.6 Ų37.65%0.05317%0.169CC..EExtended strand (participates in β ladder)trans-104.9110.5176.6-177-15000109E160 K161 N162 A163D158-E160 VanDerWaalsContact C-N 3.33Å; D158-E160 WeakPolarHBondContact OD1-CB 3.05Å; D158-E160 PolarHBondContact OD1-N 2.85Å; D158-K161 HydrophobicContact CB-CB 4.4Å; D158-K161 PolarHBondContact OD1-N 3.41Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CG 3.02Å; D158-K161 IonicContact OD2-NZ 3.91Å; D158-K161 PolarHBondContact OD2-NZ 3.22Å; D158-N162 WeakPolarHBondContact O-CA 2.9Å; D158-N162 PolarHBondContact O-N 2.88Å; D158-A163 PolarHBondContact N-O 3.12Å; D158-A163 PolarHBondContact O-N 2.78Å; D158-A163 VanDerWaalsContact O-N 3.1Å
159F91.8Very high94.6Very high70 Ų7039 Ų3931%0.30718%0.176SC..THydrogen-bonded Turntrans-69.7-27.6179.9-76.2-98.6000113.1Y157 N162 Y228 L264 K265 S267Y157-F159 HydrophobicContact CD1-CD1 4.33Å; Y157-F159 AromaticContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CD2 3.62Å; Y157-F159 HydrophobicContact CD1-CE1 4.23Å; Y157-F159 AromaticContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CE2 3.53Å; Y157-F159 HydrophobicContact CD1-CG 4.05Å; Y157-F159 AromaticContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CD1-CZ 3.84Å; Y157-F159 HydrophobicContact CE1-CB 4.41Å; Y157-F159 AromaticContact CE1-CD1 3.68Å; Y157-F159 HydrophobicContact CE1-CD1 3.68Å; Y157-F159 AromaticContact CE1-CD2 3.76Å; Y157-F159 HydrophobicContact CE1-CD2 3.76Å; Y157-F159 AromaticContact CE1-CE1 3.77Å; Y157-F159 HydrophobicContact CE1-CE1 3.77Å; Y157-F159 AromaticContact CE1-CE2 3.89Å; Y157-F159 HydrophobicContact CE1-CE2 3.89Å; Y157-F159 AromaticContact CE1-CG 3.68Å; Y157-F159 HydrophobicContact CE1-CG 3.68Å; Y157-F159 AromaticContact CE1-CZ 3.88Å; Y157-F159 HydrophobicContact CE1-CZ 3.88Å; F159-N162 PolarHBondContact O-OD1 3.5Å; F159-Y228 HydrophobicContact CE1-CD1 4.48Å; F159-Y228 AromaticContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CE2 4.34Å; F159-Y228 AromaticContact CE1-CG 3.69Å; F159-Y228 HydrophobicContact CE1-CG 3.69Å; F159-Y228 AromaticContact CZ-CD2 3.5Å; F159-Y228 HydrophobicContact CZ-CD2 3.5Å; F159-Y228 AromaticContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CG 4.1Å; F159-L264 WeakPolarHBondContact CE2-O 3.46Å; F159-L264 WeakPolarHBondContact CZ-O 3.29Å; F159-K265 VanDerWaalsContact CE2-O 3.29Å; F159-K265 WeakPolarHBondContact CE2-O 3.4Å; F159-K265 VanDerWaalsContact CZ-O 3.29Å; F159-K265 WeakPolarHBondContact CZ-O 3.43Å; F159-S267 VanDerWaalsContact CD2-CB 3.47Å; F159-S267 PolarHBondContact N-OG 2.85Å
160E91.5Very high94.9Very high173 Ų17339.2 Ų39.281%0.80818%0.178SC*.THydrogen-bonded Turntrans-73.3-38.1-179.4-62.4-175.9170.200110.7D158D158-E160 VanDerWaalsContact C-N 3.33Å; D158-E160 WeakPolarHBondContact OD1-CB 3.05Å; D158-E160 PolarHBondContact OD1-N 2.85Å
161K91.4Very high95Very high127 Ų12736.4 Ų36.455%0.55217%0.166SC*.THydrogen-bonded Turntrans-92-6.6179.6-60.9-168.7-165.787.30114D158 A163D158-K161 HydrophobicContact CB-CB 4.4Å; D158-K161 PolarHBondContact OD1-N 3.41Å; D158-K161 WeakPolarHBondContact OD2-CD 3.38Å; D158-K161 WeakPolarHBondContact OD2-CG 3.02Å; D158-K161 IonicContact OD2-NZ 3.91Å; D158-K161 PolarHBondContact OD2-NZ 3.22Å; K161-A163 HydrophobicContact CB-CB 3.84Å; K161-A163 PolarHBondContact O-N 2.85Å
162N92.2Very high94.9Very high59 Ų5937.7 Ų37.732%0.31618%0.175SC..THydrogen-bonded Turntrans45.752.4-167.1-67.1-48.3000111Y157 D158 F159 G225 I226Y157-N162 PolarHBondContact OH-OD1 2.94Å; D158-N162 WeakPolarHBondContact O-CA 2.9Å; D158-N162 PolarHBondContact O-N 2.88Å; F159-N162 PolarHBondContact O-OD1 3.5Å; N162-G225 PolarHBondContact O-N 2.97Å; N162-I226 CarbonylContact C-O 3.54Å; N162-I226 PolarHBondContact O-N 2.95Å
163A92.9Very high94.5Very high2 Ų237.3 Ų37.32%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-128.8127.3-170.100000111.6Y157 D158 K161 V222 F223 Y224Y157-A163 WeakPolarHBondContact CD2-O 3.37Å; D158-A163 PolarHBondContact N-O 3.12Å; D158-A163 PolarHBondContact O-N 2.78Å; D158-A163 VanDerWaalsContact O-N 3.1Å; K161-A163 HydrophobicContact CB-CB 3.84Å; K161-A163 PolarHBondContact O-N 2.85Å; A163-V222 HydrophobicContact CB-CG1 3.91Å; A163-F223 CarbonylContact C-O 3.59Å; A163-F223 VanDerWaalsContact CA-O 3.27Å; A163-F223 WeakPolarHBondContact CA-O 3.09Å; A163-Y224 HydrophobicContact CB-CD1 3.85Å; A163-Y224 HydrophobicContact CB-CE1 4.16Å
164L93.3Very high94.2Very high0 Ų037.5 Ų37.50%018%0.179CC..EExtended strand (participates in β ladder)trans-95.5117.5171.617969.9000109.1L155 Y157 V166 L196 F223 I226 L231 L259 L264L155-L164 HydrophobicContact CD2-CD1 4.44Å; Y157-L164 HydrophobicContact CD2-CB 4.26Å; Y157-L164 HydrophobicContact CD2-CD1 4.48Å; L164-V166 HydrophobicContact CD2-CG2 4.26Å; L164-V166 HydrophobicContact CG-CG2 4.19Å; L164-L196 HydrophobicContact CD2-CD2 4.27Å; L164-F223 HydrophobicContact CB-CB 4.38Å; L164-F223 PolarHBondContact N-O 2.95Å; L164-F223 PolarHBondContact O-N 3.44Å; L164-I226 HydrophobicContact CB-CD1 4.4Å; L164-L231 HydrophobicContact CD2-CD2 4.2Å; L164-L259 HydrophobicContact CD2-CD1 3.61Å; L164-L264 HydrophobicContact CD1-CD1 4.41Å
165T94.9Very high93.4Very high29 Ų2937.8 Ų37.818%0.17819%0.186CC..EExtended strand (participates in β ladder)trans-96.7126.8172.3-54.90000109.5L155 I156 F221 V222L155-T165 WeakPolarHBondContact CA-O 3.47Å; I156-T165 PolarHBondContact N-O 3.5Å; I156-T165 PolarHBondContact O-N 3.46Å; T165-F221 CarbonylContact C-O 3.53Å; T165-F221 WeakPolarHBondContact CA-O 3.17Å; T165-V222 HydrophobicContact CG2-CG2 4.15Å
166V95.8Very high92Very high0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-116.6112.2176.1-172.70000108.3Y153 L155 L164 I168 L194 F221 F223 L236 F238Y153-V166 HydrophobicContact CD2-CG1 4.43Å; L155-V166 HydrophobicContact CD2-CB 4.05Å; L155-V166 HydrophobicContact CD2-CG1 3.87Å; L155-V166 HydrophobicContact CD2-CG2 3.57Å; L164-V166 HydrophobicContact CD2-CG2 4.26Å; L164-V166 HydrophobicContact CG-CG2 4.19Å; V166-I168 HydrophobicContact CG1-CD1 3.98Å; V166-L194 HydrophobicContact CB-CD2 4.14Å; V166-L194 HydrophobicContact CG1-CD2 3.67Å; V166-F221 PolarHBondContact N-O 3.07Å; V166-F221 PolarHBondContact O-N 3.07Å; V166-F223 HydrophobicContact CB-CE2 4.27Å; V166-F223 HydrophobicContact CG2-CD2 3.9Å; V166-F223 HydrophobicContact CG2-CE2 3.57Å; V166-L236 HydrophobicContact CG1-CD2 3.92Å; V166-L236 HydrophobicContact CG2-CD1 4.47Å; V166-L236 HydrophobicContact CG2-CD2 3.78Å; V166-F238 HydrophobicContact CG1-CE1 4.11Å; V166-F238 HydrophobicContact CG1-CZ 4.32Å
167H97.3Very high90.4Very high15 Ų1540.8 Ų40.87%0.06920%0.201CC..EExtended strand (participates in β ladder)trans-100.1108.7177.817875.8000109.3Y153 R154 I169 D218 E219 D220Y153-H167 CarbonylContact C-O 3.53Å; Y153-H167 WeakPolarHBondContact CA-O 3.32Å; Y153-H167 WeakPolarHBondContact CB-O 3.39Å; R154-H167 HydrophobicContact CB-CB 4.05Å; R154-H167 PolarHBondContact N-O 2.81Å; R154-H167 PolarHBondContact O-N 2.92Å; H167-I169 WeakPolarHBondContact CD2-CG1 3.34Å; H167-I169 PolarHBondContact O-N 3.48Å; H167-D218 IonicContact CE1-OD1 2.7Å; H167-D218 PolarHBondContact CE1-OD1 2.75Å; H167-D218 IonicContact NE2-OD1 3.88Å; H167-D218 PolarHBondContact NE2-OD1 3.14Å; H167-E219 CarbonylContact C-O 3.54Å; H167-E219 WeakPolarHBondContact CA-O 3.39Å; H167-D220 WeakPolarHBondContact CB-OD1 3.49Å; H167-D220 IonicContact CE1-OD1 3.48Å; H167-D220 IonicContact CG-OD1 3.14Å; H167-D220 VanDerWaalsContact CG-OD1 3.23Å; H167-D220 IonicContact ND1-OD1 3.55Å; H167-D220 PolarHBondContact ND1-OD1 2.85Å; H167-D220 IonicContact ND1-OD2 2.83Å
168I97.7Very high88.4Confident0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-84.8113.1177.5-60.2-59.9000108.7L151 V166 V192 L194 T206 Y217 D218 E219 F221 F238L151-I168 HydrophobicContact CD1-CG2 4.35Å; V166-I168 HydrophobicContact CG1-CD1 3.98Å; I168-V192 HydrophobicContact CG2-CG2 4.23Å; I168-L194 HydrophobicContact CD1-CD1 4.46Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CD1-CG 4.37Å; I168-L194 HydrophobicContact CG1-CD1 4.14Å; I168-L194 HydrophobicContact CG1-CD2 4Å; I168-T206 HydrophobicContact CB-CG2 4.19Å; I168-T206 HydrophobicContact CG1-CG2 4.26Å; I168-T206 HydrophobicContact CG2-CG2 4.01Å; I168-Y217 HydrophobicContact CG2-CD2 3.57Å; I168-Y217 HydrophobicContact CG2-CE2 4.36Å; I168-Y217 HydrophobicContact CG2-CG 3.96Å; I168-D218 WeakPolarHBondContact O-CA 3.02Å; I168-D218 PolarHBondContact O-N 2.83Å; I168-E219 PolarHBondContact N-O 2.95Å; I168-E219 PolarHBondContact O-N 2.82Å; I168-E219 VanDerWaalsContact O-N 3.07Å; I168-F221 HydrophobicContact CB-CE2 4.36Å; I168-F221 HydrophobicContact CG1-CD2 4.01Å; I168-F221 HydrophobicContact CG1-CE2 3.78Å; I168-F238 HydrophobicContact CD1-CD1 3.96Å; I168-F238 HydrophobicContact CD1-CE1 3.5Å; I168-F238 VanDerWaalsContact CD1-CE1 3.5Å; I168-F238 HydrophobicContact CD1-CZ 4.45Å
169I97.7Very high86.1Confident34 Ų3450 Ų5017%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-85.4-67.5-174.3-59.1166.2000109.5R152 R154 H167 Y217 D218R152-I169 HydrophobicContact CB-CB 4.2Å; R152-I169 WeakPolarHBondContact O-CB 3.44Å; R152-I169 PolarHBondContact O-N 3.36Å; R154-I169 HydrophobicContact CB-CD1 4.34Å; H167-I169 WeakPolarHBondContact CD2-CG1 3.34Å; H167-I169 PolarHBondContact O-N 3.48Å; I169-Y217 PolarHBondContact O-N 2.84Å; I169-D218 PolarHBondContact O-N 2.96Å; I169-D218 VanDerWaalsContact O-N 3.15Å
170S97.1Very high83.9Confident6 Ų649.9 Ų49.94%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-159.5158.6-174.371.10000111.3R152 P215R152-S170 PolarHBondContact N-O 3.2Å; R152-S170 PolarHBondContact NE-OG 2.79Å; R152-S170 PolarHBondContact NH2-OG 2.93Å; R152-S170 PolarHBondContact O-N 3.47Å; S170-P215 CarbonylContact C-O 3.55Å; S170-P215 WeakPolarHBondContact CA-O 3.05Å; S170-P215 VanDerWaalsContact CB-O 3.27Å; S170-P215 WeakPolarHBondContact CB-O 3.33Å
171A96.3Very high81.3Confident1 Ų152.1 Ų52.11%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-111.6156.3159.200000109.6K150 L151 L174 D214 P215 Y217K150-A171 CarbonylContact O-C 3.39Å; K150-A171 WeakPolarHBondContact O-CA 3.14Å; K150-A171 WeakPolarHBondContact O-CB 3.46Å; L151-A171 HydrophobicContact CD1-CB 4.14Å; A171-L174 HydrophobicContact CB-CD1 4.07Å; A171-L174 HydrophobicContact CB-CD2 4.08Å; A171-L174 HydrophobicContact CB-CG 4.2Å; A171-D214 CarbonylContact O-C 3.59Å; A171-D214 VanDerWaalsContact O-CA 3.26Å; A171-D214 WeakPolarHBondContact O-CA 3.2Å; A171-P215 HydrophobicContact CB-CG 3.81Å; A171-P215 PolarHBondContact N-O 2.92Å; A171-P215 WeakPolarHBondContact O-CD 3.23Å; A171-Y217 HydrophobicContact CB-CE2 4.31Å
172S93.3Very high78.9Confident28 Ų2857.1 Ų57.120%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-140.3156.5179.160.80000111.5G149 K150 L174 D214G149-S172 CarbonylContact C-O 3.6Å; G149-S172 VanDerWaalsContact CA-O 3.22Å; G149-S172 WeakPolarHBondContact CA-O 3.32Å; K150-S172 PolarHBondContact N-O 3.16Å; K150-S172 PolarHBondContact O-N 3.32Å; S172-L174 PolarHBondContact O-N 3.2Å; S172-D214 WeakPolarHBondContact CA-OD1 3.41Å; S172-D214 WeakPolarHBondContact CB-OD1 3.36Å
173E89.4Confident76.4Confident109 Ų10967 Ų6751%0.50931%0.311SS..SBendtrans58.432.8175.8-56.5168.9-147.200113G149 I175 D214G149-E173 WeakPolarHBondContact CA-O 3.31Å; E173-I175 PolarHBondContact O-N 3.08Å; E173-D214 PolarHBondContact N-OD1 3.18Å
174L90.5Very high74.6Confident4 Ų474.6 Ų74.62%0.02135%0.346CS..PPolyproline II helixtrans-68.4121.2178.6-61.3-179.5000110.5A171 S172 L188 P190 A213 P215 V240 I252 L277A171-L174 HydrophobicContact CB-CD1 4.07Å; A171-L174 HydrophobicContact CB-CD2 4.08Å; A171-L174 HydrophobicContact CB-CG 4.2Å; S172-L174 PolarHBondContact O-N 3.2Å; L174-L188 HydrophobicContact CB-CD1 4.13Å; L174-P190 HydrophobicContact CD1-CB 3.66Å; L174-P190 HydrophobicContact CD1-CG 3.96Å; L174-A213 HydrophobicContact CB-CB 4.43Å; L174-A213 VanDerWaalsContact CB-O 3.28Å; L174-A213 WeakPolarHBondContact CB-O 3.45Å; L174-A213 VanDerWaalsContact CG-O 3.24Å; L174-A213 WeakPolarHBondContact CG-O 3.44Å; L174-A213 PolarHBondContact N-O 3.45Å; L174-A213 VanDerWaalsContact N-O 3.15Å; L174-P215 HydrophobicContact CD1-CG 3.92Å; L174-V240 HydrophobicContact CD1-CG1 3.96Å; L174-V240 HydrophobicContact CD2-CG1 3.96Å; L174-I252 HydrophobicContact CB-CD1 4.46Å; L174-I252 HydrophobicContact CB-CG2 4.34Å; L174-I252 HydrophobicContact CD1-CD1 4.15Å; L174-I252 HydrophobicContact CD2-CG2 4.1Å; L174-L277 HydrophobicContact CD2-CD1 3.59Å
175I81Confident72.8Confident83 Ų8381.1 Ų81.143%0.42637%0.374SS..PPolyproline II helixtrans-97.5120.3-178.6-53.3-173.9000110.2S147 E173 K177S147-I175 VanDerWaalsContact O-CD1 3.28Å; S147-I175 WeakPolarHBondContact O-CD1 3.32Å; E173-I175 PolarHBondContact O-N 3.08Å; I175-K177 PolarHBondContact O-N 3.49Å
176P64.7Low71.2Confident36 Ų3682 Ų8223%0.23438%0.38CS..PPolyproline II helixtrans-63.2116.5167.9-7.818.2000109.4S178 V186 L188P176-S178 PolarHBondContact O-N 3.17Å; P176-V186 HydrophobicContact CB-CB 3.86Å; P176-V186 HydrophobicContact CB-CG1 3.91Å; P176-V186 HydrophobicContact CB-CG2 4.41Å; P176-V186 HydrophobicContact CG-CB 3.7Å; P176-V186 HydrophobicContact CG-CG1 4.18Å; P176-V186 HydrophobicContact CG-CG2 4.47Å; P176-L188 HydrophobicContact CB-CD1 4.28Å; P176-L188 HydrophobicContact CB-CD2 3.85Å; P176-L188 HydrophobicContact CB-CG 4.24Å; P176-L188 HydrophobicContact CG-CD1 3.86Å; P176-L188 HydrophobicContact CG-CD2 4.13Å; P176-L188 HydrophobicContact CG-CG 3.95Å
177K61.9Low70.1Confident70 Ų7086.6 Ų86.630%0.30440%0.402SS..  trans-76.326.8175-62-179.7-170.1145.80113.4I175 K250 I251 I252 N279I175-K177 PolarHBondContact O-N 3.49Å; K177-K250 PolarHBondContact O-NZ 2.9Å; K177-I251 PolarHBondContact NZ-O 3.27Å; K177-I252 VanDerWaalsContact CE-O 3.24Å; K177-I252 WeakPolarHBondContact CE-O 3.03Å; K177-I252 PolarHBondContact NZ-O 2.79Å; K177-N279 VanDerWaalsContact CE-CG 3.45Å; K177-N279 WeakPolarHBondContact CE-ND2 3.15Å; K177-N279 PolarHBondContact NZ-ND2 2.79Å; K177-N279 VanDerWaalsContact NZ-ND2 3.19Å; K177-N279 PolarHBondContact NZ-OD1 3.25Å
178S52.5Low69.5Low51 Ų5186.6 Ų86.636%0.35740%0.403SS..SBendtrans-102.1124.6170.150.60000108.2P176 C180P176-S178 PolarHBondContact O-N 3.17Å; S178-C180 PolarHBondContact O-N 3.07Å; S178-C180 PolarHBondContact OG-SG 3.24Å
179N45.3Very low69.2Low153 Ų15388.5 Ų88.582%0.81841%0.413SS*.  trans-68.970167.3-80.9-22.4000109.3R181N179-R181 PolarHBondContact O-N 3.13Å
180C44.2Very low69.1Low68 Ų6886.9 Ų86.946%0.45941%0.405SS..  trans-70.488161.2-62.90000105.8S178 V186S178-C180 PolarHBondContact O-N 3.07Å; S178-C180 PolarHBondContact OG-SG 3.24Å; C180-V186 HydrophobicContact CB-CG2 3.63Å; C180-V186 WeakPolarHBondContact SG-CG2 3.4Å
181R38.5Very low69Low220 Ų22087.7 Ų87.783%0.8341%0.407SS*.  trans-53.6140.5149.2-72.1-175-169.3-159.52.1105.4N179N179-R181 PolarHBondContact O-N 3.13Å
182W40.2Very low68.9Low231 Ų23187.6 Ų87.688%0.87541%0.406SS*.SBendtrans96.6125.8-168.2-47.8114.3000112.5E184W182-E184 PolarHBondContact O-N 2.87Å
183R41Very low68.8Low267 Ų26788.3 Ų88.3100%1.00841%0.406SS*.SBendtrans-66.730.4-168.5-66.6176.3177.2154.6-2.5114.6
184E53.1Low68.9Low162 Ų16283.1 Ų83.176%0.75738%0.381SS*.  trans-99120.6-178.7-154.6157.7-152.300108.5W182 V186W182-E184 PolarHBondContact O-N 2.87Å; E184-V186 PolarHBondContact O-N 2.83Å
185K57.4Low68.7Low137 Ų13783.7 Ų83.760%0.59638%0.384SS*.  trans-57.4107.9175.2-176.9178-177.71790107M187K185-M187 HydrophobicContact CB-CE 4.33Å; K185-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.13Å
186V61.3Low69Low48 Ų4880.1 Ų80.129%0.29137%0.366SS..  trans-61.3121.4177.5179.30000107.4P176 C180 E184 L188P176-V186 HydrophobicContact CB-CB 3.86Å; P176-V186 HydrophobicContact CB-CG1 3.91Å; P176-V186 HydrophobicContact CB-CG2 4.41Å; P176-V186 HydrophobicContact CG-CB 3.7Å; P176-V186 HydrophobicContact CG-CG1 4.18Å; P176-V186 HydrophobicContact CG-CG2 4.47Å; C180-V186 HydrophobicContact CB-CG2 3.63Å; C180-V186 WeakPolarHBondContact SG-CG2 3.4Å; E184-V186 PolarHBondContact O-N 2.83Å; V186-L188 PolarHBondContact O-N 3.21Å
187M71.4Confident69.6Low95 Ų9578.7 Ų78.747%0.46836%0.356SS..  trans-82.4110.2-177.5-61.8-60179.300107.7K185 N211K185-M187 HydrophobicContact CB-CE 4.33Å; K185-M187 WeakPolarHBondContact O-CG 3.43Å; K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.13Å; M187-N211 HydrophobicContact CB-CB 4.29Å; M187-N211 WeakPolarHBondContact CB-OD1 3.39Å; M187-N211 WeakPolarHBondContact CG-OD1 3.44Å; M187-N211 PolarHBondContact SD-ND2 3.18Å; M187-N211 PolarHBondContact SD-OD1 2.96Å
188L84.9Confident70Confident16 Ų1678.9 Ų78.98%0.08437%0.365CS..  trans-90.5146.5177-64.5174.2000109.6L174 P176 V186 P190 N211 T212 A242 I252L174-L188 HydrophobicContact CB-CD1 4.13Å; P176-L188 HydrophobicContact CB-CD1 4.28Å; P176-L188 HydrophobicContact CB-CD2 3.85Å; P176-L188 HydrophobicContact CB-CG 4.24Å; P176-L188 HydrophobicContact CG-CD1 3.86Å; P176-L188 HydrophobicContact CG-CD2 4.13Å; P176-L188 HydrophobicContact CG-CG 3.95Å; V186-L188 PolarHBondContact O-N 3.21Å; L188-P190 WeakPolarHBondContact O-CD 3.42Å; L188-N211 CarbonylContact O-C 3.52Å; L188-N211 VanDerWaalsContact O-CA 3.26Å; L188-N211 WeakPolarHBondContact O-CA 3.17Å; L188-N211 PolarHBondContact O-N 2.85Å; L188-T212 PolarHBondContact O-N 3.23Å; L188-A242 HydrophobicContact CD2-CB 4.09Å; L188-I252 HydrophobicContact CD1-CD1 3.98Å
189D92.3Very high70.6Confident40 Ų4082.6 Ų82.621%0.21438%0.376CS..  trans-109.570169.5-73-4.1000109.3V208 V209 R210 N211 F243D189-V208 HydrophobicContact CB-CG1 3.73Å; D189-V209 CarbonylContact C-O 3.58Å; D189-V209 WeakPolarHBondContact CA-O 3.41Å; D189-R210 WeakPolarHBondContact OD1-CA 3.41Å; D189-R210 WeakPolarHBondContact OD1-CB 3.5Å; D189-N211 PolarHBondContact OD1-N 2.85Å; D189-F243 HydrophobicContact CB-CB 4.15Å; D189-F243 WeakPolarHBondContact O-CB 3.31Å; D189-F243 PolarHBondContact O-N 3.25Å
190P94.8Very high71.3Confident0 Ų078.3 Ų78.30%035%0.35CS..EExtended strand (participates in β ladder)trans-72.7146.3-173.431.1-40.3000113.5L174 L188 V209 T212 P215 Y217 I241 I252L174-P190 HydrophobicContact CD1-CB 3.66Å; L174-P190 HydrophobicContact CD1-CG 3.96Å; L188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-V209 WeakPolarHBondContact CD-O 3.28Å; P190-V209 PolarHBondContact O-N 2.9Å; P190-T212 VanDerWaalsContact CD-O 3.29Å; P190-T212 WeakPolarHBondContact CD-O 3.37Å; P190-T212 HydrophobicContact CG-CG2 4.14Å; P190-T212 WeakPolarHBondContact CG-O 3.31Å; P190-P215 HydrophobicContact CB-CG 4.11Å; P190-P215 HydrophobicContact CG-CB 3.74Å; P190-P215 HydrophobicContact CG-CG 3.54Å; P190-Y217 PolarHBondContact O-OH 2.83Å; P190-I241 CarbonylContact C-O 3.53Å; P190-I241 VanDerWaalsContact CA-O 3.29Å; P190-I241 WeakPolarHBondContact CA-O 3.45Å; P190-I252 HydrophobicContact CB-CD1 4.3Å
191Y95.1Very high72.1Confident22 Ų2281 Ų819%0.08636%0.356CS..EExtended strand (participates in β ladder)trans-140.6159.1162.970.7-85000110.4K193 K205 V208 Y217 I241 F243 D249Y191-K193 HydrophobicContact CE2-CB 4.49Å; Y191-K205 HydrophobicContact CD2-CB 4.22Å; Y191-K205 HydrophobicContact CE2-CB 4.46Å; Y191-V208 HydrophobicContact CD1-CG2 4Å; Y191-V208 HydrophobicContact CG-CG2 4.23Å; Y191-Y217 WeakPolarHBondContact CA-OH 2.87Å; Y191-I241 HydrophobicContact CD1-CB 4.24Å; Y191-I241 HydrophobicContact CD1-CG2 4.47Å; Y191-I241 WeakPolarHBondContact CD1-O 3.27Å; Y191-I241 HydrophobicContact CE1-CB 3.76Å; Y191-I241 HydrophobicContact CE1-CG2 3.62Å; Y191-I241 HydrophobicContact CE2-CB 4.15Å; Y191-I241 HydrophobicContact CE2-CD1 3.96Å; Y191-I241 PolarHBondContact N-O 3.03Å; Y191-I241 PolarHBondContact O-N 3.41Å; Y191-F243 HydrophobicContact CD1-CB 4Å; Y191-F243 HydrophobicContact CE1-CB 4.01Å; Y191-D249 WeakPolarHBondContact CE1-OD2 3.38Å; Y191-D249 PolarHBondContact OH-OD2 2.86Å
192V94.8Very high73.5Confident0 Ų074.9 Ų74.90%034%0.337CS..EExtended strand (participates in β ladder)trans-107.8130177.7-170.20000109.1L151 I168 L194 K205 T206 Y217 F238 A239 V240L151-V192 HydrophobicContact CD1-CG2 3.95Å; L151-V192 HydrophobicContact CD2-CG1 4.21Å; I168-V192 HydrophobicContact CG2-CG2 4.23Å; V192-L194 HydrophobicContact CG1-CD1 4.22Å; V192-K205 CarbonylContact O-C 3.5Å; V192-K205 VanDerWaalsContact O-CA 3.23Å; V192-K205 WeakPolarHBondContact O-CA 3.4Å; V192-T206 HydrophobicContact CB-CG2 3.91Å; V192-T206 HydrophobicContact CG2-CG2 4.39Å; V192-T206 PolarHBondContact N-OG1 2.97Å; V192-T206 PolarHBondContact O-N 2.84Å; V192-Y217 HydrophobicContact CG2-CD2 4.18Å; V192-Y217 HydrophobicContact CG2-CE1 4.43Å; V192-Y217 HydrophobicContact CG2-CE2 3.49Å; V192-Y217 VanDerWaalsContact CG2-CE2 3.49Å; V192-F238 HydrophobicContact CG1-CB 4.19Å; V192-F238 HydrophobicContact CG1-CD1 4.1Å; V192-A239 WeakPolarHBondContact CA-O 3.4Å; V192-V240 HydrophobicContact CG2-CG2 4.2Å
193K91.5Very high75.3Confident42 Ų4268 Ų6818%0.18331%0.313CS..EExtended strand (participates in β ladder)trans-102.3131.8168-169.8175.5-172.21540109.8Y191 I204 F238 A239 I241 I387Y191-K193 HydrophobicContact CE2-CB 4.49Å; K193-I204 WeakPolarHBondContact CA-O 3.41Å; K193-F238 WeakPolarHBondContact O-CA 3.32Å; K193-A239 HydrophobicContact CB-CB 4.46Å; K193-A239 PolarHBondContact N-O 3.44Å; K193-A239 PolarHBondContact O-N 2.8Å; K193-I241 HydrophobicContact CB-CD1 4.08Å; K193-I241 HydrophobicContact CD-CD1 4.45Å; K193-I387 HydrophobicContact CD-CD1 4.42Å; K193-I387 HydrophobicContact CD-CG2 3.57Å
194L91.2Very high77.7Confident0 Ų057.5 Ų57.50%028%0.277CS..EExtended strand (participates in β ladder)trans-111.7139.8179.5-60.885.2000109.5V166 I168 V192 I204 F221 F223 H237 F238V166-L194 HydrophobicContact CB-CD2 4.14Å; V166-L194 HydrophobicContact CG1-CD2 3.67Å; I168-L194 HydrophobicContact CD1-CD1 4.46Å; I168-L194 HydrophobicContact CD1-CD2 3.82Å; I168-L194 HydrophobicContact CD1-CG 4.37Å; I168-L194 HydrophobicContact CG1-CD1 4.14Å; I168-L194 HydrophobicContact CG1-CD2 4Å; V192-L194 HydrophobicContact CG1-CD1 4.22Å; L194-I204 PolarHBondContact N-O 3.39Å; L194-I204 PolarHBondContact O-N 2.87Å; L194-I204 VanDerWaalsContact O-N 3.08Å; L194-F221 HydrophobicContact CD1-CD2 3.93Å; L194-F221 HydrophobicContact CD1-CE2 3.8Å; L194-F221 HydrophobicContact CD2-CD2 3.85Å; L194-F221 HydrophobicContact CD2-CE2 4.48Å; L194-F223 HydrophobicContact CB-CZ 4.4Å; L194-H237 WeakPolarHBondContact CA-O 3.38Å; L194-F238 HydrophobicContact CD2-CD1 4.18Å; L194-F238 HydrophobicContact CD2-CE1 3.77Å; L194-F238 HydrophobicContact CG-CD1 3.94Å; L194-F238 HydrophobicContact CG-CE1 4.06Å
195Q86.5Confident79.6Confident16 Ų1656.7 Ų56.78%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-147.7149.8168.764.1-177.54.800110.7K203 H237Q195-K203 HydrophobicContact CB-CG 4.48Å; Q195-H237 HydrophobicContact CG-CB 3.86Å; Q195-H237 PolarHBondContact N-O 2.57Å; Q195-H237 PolarHBondContact NE2-ND1 3.1Å; Q195-H237 PolarHBondContact O-N 3.41Å
196L85.7Confident81.5Confident9 Ų950.4 Ų50.45%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-93.2147.9169.6-63.8170.7000109.4L164 E199 F223 I226 T234 L236L164-L196 HydrophobicContact CD2-CD2 4.27Å; L196-E199 CarbonylContact C-O 3.49Å; L196-E199 CarbonylContact O-C 3.47Å; L196-F223 HydrophobicContact CD1-CB 4.04Å; L196-F223 HydrophobicContact CD1-CD1 3.5Å; L196-F223 VanDerWaalsContact CD1-CD1 3.5Å; L196-F223 HydrophobicContact CD1-CD2 4.41Å; L196-F223 HydrophobicContact CD1-CE1 3.98Å; L196-F223 HydrophobicContact CD1-CG 3.74Å; L196-F223 HydrophobicContact CG-CD1 4.12Å; L196-F223 HydrophobicContact CG-CE1 4.1Å; L196-F223 HydrophobicContact CG-CG 4.49Å; L196-F223 HydrophobicContact CG-CZ 4.45Å; L196-I226 HydrophobicContact CD1-CD1 3.25Å; L196-I226 HydrophobicContact CD1-CG1 4.49Å; L196-T234 HydrophobicContact CB-CG2 4.14Å; L196-T234 HydrophobicContact CD2-CG2 3.76Å; L196-T234 HydrophobicContact CG-CG2 4.43Å; L196-L236 HydrophobicContact CD2-CB 4.35Å; L196-L236 HydrophobicContact CD2-CD1 3.71Å
197L78.7Confident83.1Confident6 Ų654.1 Ų54.13%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-130.6144.3-178.9-62.5160.5000108.3K200 T234 T235 H237 L256 L321 T322L197-K200 HydrophobicContact CD2-CG 4.14Å; L197-T234 VanDerWaalsContact O-CA 3.29Å; L197-T234 WeakPolarHBondContact O-CA 3.43Å; L197-T235 PolarHBondContact N-O 3.28Å; L197-T235 PolarHBondContact O-N 2.96Å; L197-H237 HydrophobicContact CD1-CB 3.53Å; L197-H237 HydrophobicContact CG-CB 4.38Å; L197-L256 HydrophobicContact CD1-CD2 4.38Å; L197-L321 HydrophobicContact CD1-CB 3.43Å; L197-L321 VanDerWaalsContact CD1-CB 3.43Å; L197-L321 HydrophobicContact CD1-CD1 3.41Å; L197-L321 VanDerWaalsContact CD1-CD1 3.41Å; L197-L321 HydrophobicContact CD1-CG 3.99Å; L197-L321 HydrophobicContact CD2-CB 4.26Å; L197-L321 HydrophobicContact CG-CB 4.34Å; L197-T322 HydrophobicContact CD2-CG2 4.02Å
198P68.5Low84.3Confident74 Ų7452.2 Ų52.248%0.48125%0.246SC..SBendcis-84.4-17.912.932.9-36.5000114.4K200 T322P198-K200 PolarHBondContact O-N 3.36Å; P198-T322 VanDerWaalsContact O-CG2 3.26Å; P198-T322 WeakPolarHBondContact O-CG2 3.37Å
199E66.8Low84.8Confident128 Ų12852.9 Ų52.960%0.59825%0.251SS*.SBendtrans-73.295.3178.9-64.6-177.8-168.900108.8L196 Q201L196-E199 CarbonylContact C-O 3.49Å; L196-E199 CarbonylContact O-C 3.47Å; E199-Q201 HydrophobicContact CB-CG 4.5Å; E199-Q201 PolarHBondContact O-N 3.15Å
200K60Low84.7Confident63 Ų6360.1 Ų60.127%0.27428%0.275SS..  trans-61.431.7175.6-64.1-173.9-179.1-175.10113.8L197 P198 K203 D320 T322L197-K200 HydrophobicContact CD2-CG 4.14Å; P198-K200 PolarHBondContact O-N 3.36Å; K200-K203 WeakPolarHBondContact O-CE 3.42Å; K200-D320 IonicContact NZ-OD1 2.68Å; K200-D320 IonicContact NZ-OD2 3.36Å; K200-D320 PolarHBondContact NZ-OD2 2.83Å; K200-T322 HydrophobicContact CD-CG2 4.08Å; K200-T322 VanDerWaalsContact CE-CG2 3.43Å; K200-T322 WeakPolarHBondContact CE-OG1 3.15Å; K200-T322 HydrophobicContact CG-CG2 3.75Å
201Q60.7Low84.4Confident125 Ų12564.6 Ų64.658%0.58430%0.299SS*.  trans-89.5171.7170-57.5-60.2-17.600109.4E199E199-Q201 HydrophobicContact CB-CG 4.5Å; E199-Q201 PolarHBondContact O-N 3.15Å
202H68.2Low84.3Confident91 Ų9165.1 Ų65.142%0.42130%0.304SS..  trans57.257.1178.8-44.898000113.7I204 F223H202-I204 PolarHBondContact O-N 3.45Å; H202-F223 HydrophobicContact CB-CD1 3.48Å; H202-F223 VanDerWaalsContact CB-CD1 3.48Å; H202-F223 HydrophobicContact CB-CE1 3.5Å; H202-F223 VanDerWaalsContact CB-CE1 3.5Å; H202-F223 WeakPolarHBondContact O-CE1 3.4Å
203K77.2Confident84Confident86 Ų8665.9 Ų65.937%0.37431%0.311SS..  trans-81.9115.6173.5-71168.4176.2-176.80108.9Q195 K200 I387Q195-K203 HydrophobicContact CB-CG 4.48Å; K200-K203 WeakPolarHBondContact O-CE 3.42Å; K203-I387 HydrophobicContact CD-CD1 3.79Å
204I90.7Very high84.1Confident48 Ų4867.6 Ų67.625%0.24632%0.322CS..EExtended strand (participates in β ladder)trans-123.7153.5178.8-48.9175.3000108.3K193 L194 H202 F221 F223K193-I204 WeakPolarHBondContact CA-O 3.41Å; L194-I204 PolarHBondContact N-O 3.39Å; L194-I204 PolarHBondContact O-N 2.87Å; L194-I204 VanDerWaalsContact O-N 3.08Å; H202-I204 PolarHBondContact O-N 3.45Å; I204-F221 HydrophobicContact CB-CD1 4.28Å; I204-F221 HydrophobicContact CD1-CB 4.12Å; I204-F221 HydrophobicContact CG2-CB 4.48Å; I204-F221 HydrophobicContact CG2-CD1 3.17Å; I204-F221 HydrophobicContact CG2-CE1 3.39Å; I204-F221 HydrophobicContact CG2-CG 3.85Å; I204-F221 HydrophobicContact CG2-CZ 4.24Å; I204-F223 HydrophobicContact CD1-CD1 4.14Å; I204-F223 HydrophobicContact CD1-CE1 3.54Å; I204-F223 HydrophobicContact CD1-CE2 4.4Å; I204-F223 HydrophobicContact CD1-CZ 3.7Å; I204-F223 HydrophobicContact CG1-CE1 4.15Å; I204-F223 HydrophobicContact CG1-CZ 4.36Å
205K93.7Very high84.3Confident144 Ų14467.6 Ų67.663%0.62632%0.322SS*.EExtended strand (participates in β ladder)trans-138.3148.7177.261.7177.3-177.1173.60110.1Y191 V192Y191-K205 HydrophobicContact CD2-CB 4.22Å; Y191-K205 HydrophobicContact CE2-CB 4.46Å; V192-K205 CarbonylContact O-C 3.5Å; V192-K205 VanDerWaalsContact O-CA 3.23Å; V192-K205 WeakPolarHBondContact O-CA 3.4Å
206T96.7Very high84.8Confident6 Ų671.1 Ų71.14%0.03734%0.344CS..PPolyproline II helixtrans-72.7171.2169.965.40000111.4I168 V192 Y217 E219 F221I168-T206 HydrophobicContact CB-CG2 4.19Å; I168-T206 HydrophobicContact CG1-CG2 4.26Å; I168-T206 HydrophobicContact CG2-CG2 4.01Å; V192-T206 HydrophobicContact CB-CG2 3.91Å; V192-T206 HydrophobicContact CG2-CG2 4.39Å; V192-T206 PolarHBondContact N-OG1 2.97Å; V192-T206 PolarHBondContact O-N 2.84Å; T206-Y217 HydrophobicContact CG2-CD1 4.01Å; T206-Y217 HydrophobicContact CG2-CG 4.11Å; T206-Y217 WeakPolarHBondContact OG1-CD1 3.46Å; T206-Y217 VanDerWaalsContact OG1-CE1 3.3Å; T206-Y217 WeakPolarHBondContact OG1-CE1 3.47Å; T206-E219 WeakPolarHBondContact CA-OE2 3.11Å; T206-F221 HydrophobicContact CG2-CE2 3.73Å; T206-F221 HydrophobicContact CG2-CZ 3.81Å
207R95.8Very high85.4Confident125 Ų12570.7 Ų70.747%0.47234%0.342SS..PPolyproline II helixtrans-59.3156159.480-169.6170.2-113.55.1111.3V209 V216 Y217 E219R207-V209 HydrophobicContact CG-CG2 4.15Å; R207-V216 PolarHBondContact NH2-O 2.86Å; R207-Y217 PolarHBondContact NH1-O 3.33Å; R207-Y217 PolarHBondContact NH2-O 2.79Å; R207-E219 VanDerWaalsContact CB-OE1 3.29Å; R207-E219 WeakPolarHBondContact CB-OE1 3.49Å; R207-E219 WeakPolarHBondContact CD-OE1 3.25Å; R207-E219 WeakPolarHBondContact CG-OE1 3.46Å; R207-E219 IonicContact CZ-OE1 3.73Å; R207-E219 PolarHBondContact N-OE1 3.29Å; R207-E219 PolarHBondContact N-OE2 2.79Å; R207-E219 VanDerWaalsContact N-OE2 3.11Å; R207-E219 IonicContact NE-OE1 2.68Å; R207-E219 IonicContact NH1-OE1 3.79Å; R207-E219 PolarHBondContact NH1-OE1 2.76Å
208V95.6Very high86.2Confident55 Ų5575.5 Ų75.533%0.33337%0.368SS..PPolyproline II helixtrans-81.3122168.1-179.70000108D189 Y191 F243D189-V208 HydrophobicContact CB-CG1 3.73Å; Y191-V208 HydrophobicContact CD1-CG2 4Å; Y191-V208 HydrophobicContact CG-CG2 4.23Å; V208-F243 HydrophobicContact CG1-CB 3.96Å; V208-F243 HydrophobicContact CG1-CD1 4.43Å; V208-F243 HydrophobicContact CG1-CG 4.38Å; V208-F243 HydrophobicContact CG2-CB 4.17Å; V208-F243 HydrophobicContact CG2-CG 4.31Å
209V95.3Very high87.6Confident30 Ų3073.7 Ų73.718%0.18235%0.353CS..  trans-98.3115174-174.40000107.3D189 P190 R207 T212 P215 Y217D189-V209 CarbonylContact C-O 3.58Å; D189-V209 WeakPolarHBondContact CA-O 3.41Å; P190-V209 WeakPolarHBondContact CD-O 3.28Å; P190-V209 PolarHBondContact O-N 2.9Å; R207-V209 HydrophobicContact CG-CG2 4.15Å; V209-T212 HydrophobicContact CB-CG2 4.1Å; V209-T212 HydrophobicContact CG1-CG2 3.56Å; V209-P215 HydrophobicContact CB-CB 3.79Å; V209-P215 HydrophobicContact CG1-CB 4.12Å; V209-P215 HydrophobicContact CG2-CB 3.99Å; V209-Y217 HydrophobicContact CG2-CD1 3.71Å; V209-Y217 HydrophobicContact CG2-CE1 3.68Å
210R92.2Very high89Confident193 Ų19372.5 Ų72.573%0.72835%0.351SS*.  trans-77.1148.3-172.1-65.4-171.6-179.8176.30.1112.6D189 T212D189-R210 WeakPolarHBondContact OD1-CA 3.41Å; D189-R210 WeakPolarHBondContact OD1-CB 3.5Å; R210-T212 PolarHBondContact O-N 3.04Å
211N88.2Confident90.7Very high94 Ų9470.6 Ų70.650%0.50334%0.343SS..SBendtrans57.445.6163.2-165.293.3000113.7M187 L188 D189M187-N211 HydrophobicContact CB-CB 4.29Å; M187-N211 WeakPolarHBondContact CB-OD1 3.39Å; M187-N211 WeakPolarHBondContact CG-OD1 3.44Å; M187-N211 PolarHBondContact SD-ND2 3.18Å; M187-N211 PolarHBondContact SD-OD1 2.96Å; L188-N211 CarbonylContact O-C 3.52Å; L188-N211 VanDerWaalsContact O-CA 3.26Å; L188-N211 WeakPolarHBondContact O-CA 3.17Å; L188-N211 PolarHBondContact O-N 2.85Å; D189-N211 PolarHBondContact OD1-N 2.85Å
212T91.5Very high92.3Very high32 Ų3267.1 Ų67.120%0.19633%0.33CS..  trans-149.4145.2-178.5-172.40000113.7L188 P190 V209 R210 D214 P215L188-T212 PolarHBondContact O-N 3.23Å; P190-T212 VanDerWaalsContact CD-O 3.29Å; P190-T212 WeakPolarHBondContact CD-O 3.37Å; P190-T212 HydrophobicContact CG-CG2 4.14Å; P190-T212 WeakPolarHBondContact CG-O 3.31Å; V209-T212 HydrophobicContact CB-CG2 4.1Å; V209-T212 HydrophobicContact CG1-CG2 3.56Å; R210-T212 PolarHBondContact O-N 3.04Å; T212-D214 PolarHBondContact OG1-N 3.43Å; T212-D214 PolarHBondContact OG1-O 2.8Å; T212-P215 HydrophobicContact CG2-CB 3.78Å
213A90.3Very high93.4Very high16 Ų1662.9 Ų62.913%0.13231%0.31CS..SBendtrans-95.4-9.1168.700000112.5L174 P215L174-A213 HydrophobicContact CB-CB 4.43Å; L174-A213 VanDerWaalsContact CB-O 3.28Å; L174-A213 WeakPolarHBondContact CB-O 3.45Å; L174-A213 VanDerWaalsContact CG-O 3.24Å; L174-A213 WeakPolarHBondContact CG-O 3.44Å; L174-A213 PolarHBondContact N-O 3.45Å; L174-A213 VanDerWaalsContact N-O 3.15Å; A213-P215 VanDerWaalsContact C-CD 3.44Å; A213-P215 WeakPolarHBondContact O-CD 3.32Å
214D93.3Very high94.1Very high78 Ų7865.8 Ų65.842%0.41732%0.32SS..SBendtrans-129.264.5-176.5-55.3-75.1000109.3A171 S172 E173 T212A171-D214 CarbonylContact O-C 3.59Å; A171-D214 VanDerWaalsContact O-CA 3.26Å; A171-D214 WeakPolarHBondContact O-CA 3.2Å; S172-D214 WeakPolarHBondContact CA-OD1 3.41Å; S172-D214 WeakPolarHBondContact CB-OD1 3.36Å; E173-D214 PolarHBondContact N-OD1 3.18Å; T212-D214 PolarHBondContact OG1-N 3.43Å; T212-D214 PolarHBondContact OG1-O 2.8Å
215P95.4Very high94Very high1 Ų166.2 Ų66.21%0.00634%0.336CS..  trans-68.9136.7-176.130.1-37.3000111.7S170 A171 L174 P190 V209 T212 A213 Y217S170-P215 CarbonylContact C-O 3.55Å; S170-P215 WeakPolarHBondContact CA-O 3.05Å; S170-P215 VanDerWaalsContact CB-O 3.27Å; S170-P215 WeakPolarHBondContact CB-O 3.33Å; A171-P215 HydrophobicContact CB-CG 3.81Å; A171-P215 PolarHBondContact N-O 2.92Å; A171-P215 WeakPolarHBondContact O-CD 3.23Å; L174-P215 HydrophobicContact CD1-CG 3.92Å; P190-P215 HydrophobicContact CB-CG 4.11Å; P190-P215 HydrophobicContact CG-CB 3.74Å; P190-P215 HydrophobicContact CG-CG 3.54Å; V209-P215 HydrophobicContact CB-CB 3.79Å; V209-P215 HydrophobicContact CG1-CB 4.12Å; V209-P215 HydrophobicContact CG2-CB 3.99Å; T212-P215 HydrophobicContact CG2-CB 3.78Å; A213-P215 VanDerWaalsContact C-CD 3.44Å; A213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-Y217 HydrophobicContact CB-CE1 4.06Å; P215-Y217 HydrophobicContact CB-CE2 3.86Å; P215-Y217 HydrophobicContact CG-CE1 4.46Å; P215-Y217 HydrophobicContact CG-CE2 3.59Å; P215-Y217 VanDerWaalsContact CG-OH 3.29Å; P215-Y217 WeakPolarHBondContact CG-OH 3.49Å
216V97Very high93.7Very high89 Ų8960 Ų6054%0.53931%0.309SS..EExtended strand (participates in β ladder)trans-104.4115.4168.2-177.60000108.2R207 D218R207-V216 PolarHBondContact NH2-O 2.86Å; V216-D218 HydrophobicContact CG1-CB 4.48Å
217Y97.1Very high93.4Very high0 Ų063.2 Ų63.20%033%0.326CS..EExtended strand (participates in β ladder)trans-95.1-53.8-178-58.5-75.3000110.2I168 I169 A171 P190 Y191 V192 T206 R207 V209 P215 E219I168-Y217 HydrophobicContact CG2-CD2 3.57Å; I168-Y217 HydrophobicContact CG2-CE2 4.36Å; I168-Y217 HydrophobicContact CG2-CG 3.96Å; I169-Y217 PolarHBondContact O-N 2.84Å; A171-Y217 HydrophobicContact CB-CE2 4.31Å; P190-Y217 PolarHBondContact O-OH 2.83Å; Y191-Y217 WeakPolarHBondContact CA-OH 2.87Å; V192-Y217 HydrophobicContact CG2-CD2 4.18Å; V192-Y217 HydrophobicContact CG2-CE1 4.43Å; V192-Y217 HydrophobicContact CG2-CE2 3.49Å; V192-Y217 VanDerWaalsContact CG2-CE2 3.49Å; T206-Y217 HydrophobicContact CG2-CD1 4.01Å; T206-Y217 HydrophobicContact CG2-CG 4.11Å; T206-Y217 WeakPolarHBondContact OG1-CD1 3.46Å; T206-Y217 VanDerWaalsContact OG1-CE1 3.3Å; T206-Y217 WeakPolarHBondContact OG1-CE1 3.47Å; R207-Y217 PolarHBondContact NH1-O 3.33Å; R207-Y217 PolarHBondContact NH2-O 2.79Å; V209-Y217 HydrophobicContact CG2-CD1 3.71Å; V209-Y217 HydrophobicContact CG2-CE1 3.68Å; P215-Y217 HydrophobicContact CB-CE1 4.06Å; P215-Y217 HydrophobicContact CB-CE2 3.86Å; P215-Y217 HydrophobicContact CG-CE1 4.46Å; P215-Y217 HydrophobicContact CG-CE2 3.59Å; P215-Y217 VanDerWaalsContact CG-OH 3.29Å; P215-Y217 WeakPolarHBondContact CG-OH 3.49Å; Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.96Å
218D96.7Very high93.1Very high107 Ų10759.8 Ų59.857%0.57231%0.314SS*.EExtended strand (participates in β ladder)trans50.752.8-177.2-159.135.5000111.2H167 I168 I169 V216H167-D218 IonicContact CE1-OD1 2.7Å; H167-D218 PolarHBondContact CE1-OD1 2.75Å; H167-D218 IonicContact NE2-OD1 3.88Å; H167-D218 PolarHBondContact NE2-OD1 3.14Å; I168-D218 WeakPolarHBondContact O-CA 3.02Å; I168-D218 PolarHBondContact O-N 2.83Å; I169-D218 PolarHBondContact O-N 2.96Å; I169-D218 VanDerWaalsContact O-N 3.15Å; V216-D218 HydrophobicContact CG1-CB 4.48Å
219E97.6Very high92.8Very high36 Ų3662.9 Ų62.917%0.16833%0.328CS..EExtended strand (participates in β ladder)trans-124.1133.5-174.5-79.7177.3-148.200111.9H167 I168 T206 R207 Y217 F221H167-E219 CarbonylContact C-O 3.54Å; H167-E219 WeakPolarHBondContact CA-O 3.39Å; I168-E219 PolarHBondContact N-O 2.95Å; I168-E219 PolarHBondContact O-N 2.82Å; I168-E219 VanDerWaalsContact O-N 3.07Å; T206-E219 WeakPolarHBondContact CA-OE2 3.11Å; R207-E219 VanDerWaalsContact CB-OE1 3.29Å; R207-E219 WeakPolarHBondContact CB-OE1 3.49Å; R207-E219 WeakPolarHBondContact CD-OE1 3.25Å; R207-E219 WeakPolarHBondContact CG-OE1 3.46Å; R207-E219 IonicContact CZ-OE1 3.73Å; R207-E219 PolarHBondContact N-OE1 3.29Å; R207-E219 PolarHBondContact N-OE2 2.79Å; R207-E219 VanDerWaalsContact N-OE2 3.11Å; R207-E219 IonicContact NE-OE1 2.68Å; R207-E219 IonicContact NH1-OE1 3.79Å; R207-E219 PolarHBondContact NH1-OE1 2.76Å; Y217-E219 VanDerWaalsContact C-N 3.31Å; Y217-E219 PolarHBondContact O-N 2.96Å; E219-F221 HydrophobicContact CB-CE2 4.07Å; E219-F221 HydrophobicContact CB-CZ 3.88Å
220D95.7Very high92.4Very high104 Ų10465.6 Ų65.656%0.55634%0.339SS*.EExtended strand (participates in β ladder)trans-98.2133.5177.8-71.3-46.2000112.5H167H167-D220 WeakPolarHBondContact CB-OD1 3.49Å; H167-D220 IonicContact CE1-OD1 3.48Å; H167-D220 IonicContact CG-OD1 3.14Å; H167-D220 VanDerWaalsContact CG-OD1 3.23Å; H167-D220 IonicContact ND1-OD1 3.55Å; H167-D220 PolarHBondContact ND1-OD1 2.85Å; H167-D220 IonicContact ND1-OD2 2.83Å
221F95.5Very high92.1Very high23 Ų2356.6 Ų56.610%0.10131%0.305CS..EExtended strand (participates in β ladder)trans-125126.9173.4-55.9-64.3000110.4T165 V166 I168 L194 I204 T206 E219 F223T165-F221 CarbonylContact C-O 3.53Å; T165-F221 WeakPolarHBondContact CA-O 3.17Å; V166-F221 PolarHBondContact N-O 3.07Å; V166-F221 PolarHBondContact O-N 3.07Å; I168-F221 HydrophobicContact CB-CE2 4.36Å; I168-F221 HydrophobicContact CG1-CD2 4.01Å; I168-F221 HydrophobicContact CG1-CE2 3.78Å; L194-F221 HydrophobicContact CD1-CD2 3.93Å; L194-F221 HydrophobicContact CD1-CE2 3.8Å; L194-F221 HydrophobicContact CD2-CD2 3.85Å; L194-F221 HydrophobicContact CD2-CE2 4.48Å; I204-F221 HydrophobicContact CB-CD1 4.28Å; I204-F221 HydrophobicContact CD1-CB 4.12Å; I204-F221 HydrophobicContact CG2-CB 4.48Å; I204-F221 HydrophobicContact CG2-CD1 3.17Å; I204-F221 HydrophobicContact CG2-CE1 3.39Å; I204-F221 HydrophobicContact CG2-CG 3.85Å; I204-F221 HydrophobicContact CG2-CZ 4.24Å; T206-F221 HydrophobicContact CG2-CE2 3.73Å; T206-F221 HydrophobicContact CG2-CZ 3.81Å; E219-F221 HydrophobicContact CB-CE2 4.07Å; E219-F221 HydrophobicContact CB-CZ 3.88Å; F221-F223 HydrophobicContact CB-CE2 4.4Å
222V94Very high91.9Very high52 Ų5256.4 Ų56.432%0.31530%0.301SS..EExtended strand (participates in β ladder)trans-111.8123.2-179.3-1720000109.9A163 T165 Y224A163-V222 HydrophobicContact CB-CG1 3.91Å; T165-V222 HydrophobicContact CG2-CG2 4.15Å; V222-Y224 HydrophobicContact CB-CE2 4.02Å; V222-Y224 HydrophobicContact CG1-CD1 4.2Å; V222-Y224 HydrophobicContact CG1-CD2 4.19Å; V222-Y224 HydrophobicContact CG1-CE1 3.76Å; V222-Y224 HydrophobicContact CG1-CE2 3.75Å; V222-Y224 HydrophobicContact CG1-CG 4.4Å
223F92.2Very high91.6Very high2 Ų261.2 Ų61.21%0.00933%0.326CS..EExtended strand (participates in β ladder)trans-102.1107173.8-60.3-88.1000109.4A163 L164 V166 L194 L196 H202 I204 F221 I226A163-F223 CarbonylContact C-O 3.59Å; A163-F223 VanDerWaalsContact CA-O 3.27Å; A163-F223 WeakPolarHBondContact CA-O 3.09Å; L164-F223 HydrophobicContact CB-CB 4.38Å; L164-F223 PolarHBondContact N-O 2.95Å; L164-F223 PolarHBondContact O-N 3.44Å; V166-F223 HydrophobicContact CB-CE2 4.27Å; V166-F223 HydrophobicContact CG2-CD2 3.9Å; V166-F223 HydrophobicContact CG2-CE2 3.57Å; L194-F223 HydrophobicContact CB-CZ 4.4Å; L196-F223 HydrophobicContact CD1-CB 4.04Å; L196-F223 HydrophobicContact CD1-CD1 3.5Å; L196-F223 VanDerWaalsContact CD1-CD1 3.5Å; L196-F223 HydrophobicContact CD1-CD2 4.41Å; L196-F223 HydrophobicContact CD1-CE1 3.98Å; L196-F223 HydrophobicContact CD1-CG 3.74Å; L196-F223 HydrophobicContact CG-CD1 4.12Å; L196-F223 HydrophobicContact CG-CE1 4.1Å; L196-F223 HydrophobicContact CG-CG 4.49Å; L196-F223 HydrophobicContact CG-CZ 4.45Å; H202-F223 HydrophobicContact CB-CD1 3.48Å; H202-F223 VanDerWaalsContact CB-CD1 3.48Å; H202-F223 HydrophobicContact CB-CE1 3.5Å; H202-F223 VanDerWaalsContact CB-CE1 3.5Å; H202-F223 WeakPolarHBondContact O-CE1 3.4Å; I204-F223 HydrophobicContact CD1-CD1 4.14Å; I204-F223 HydrophobicContact CD1-CE1 3.54Å; I204-F223 HydrophobicContact CD1-CE2 4.4Å; I204-F223 HydrophobicContact CD1-CZ 3.7Å; I204-F223 HydrophobicContact CG1-CE1 4.15Å; I204-F223 HydrophobicContact CG1-CZ 4.36Å; F221-F223 HydrophobicContact CB-CE2 4.4Å; F223-I226 HydrophobicContact CB-CD1 3.47Å; F223-I226 VanDerWaalsContact CB-CD1 3.47Å; F223-I226 HydrophobicContact CB-CG1 4.48Å; F223-I226 HydrophobicContact CG-CD1 4.37Å
224Y91.3Very high91.3Very high147 Ų14761.3 Ų61.358%0.57633%0.325SS*.EExtended strand (participates in β ladder)trans-85.7153.8179.8-64.3-79.7000112.5A163 V222A163-Y224 HydrophobicContact CB-CD1 3.85Å; A163-Y224 HydrophobicContact CB-CE1 4.16Å; V222-Y224 HydrophobicContact CB-CE2 4.02Å; V222-Y224 HydrophobicContact CG1-CD1 4.2Å; V222-Y224 HydrophobicContact CG1-CD2 4.19Å; V222-Y224 HydrophobicContact CG1-CE1 3.76Å; V222-Y224 HydrophobicContact CG1-CE2 3.75Å; V222-Y224 HydrophobicContact CG1-CG 4.4Å
225G88.8Confident90.9Very high56 Ų5659.3 Ų59.358%0.57732%0.316SS*.SBendtrans79.919.8171.600000114.4N162N162-G225 PolarHBondContact O-N 2.97Å
226I87.7Confident90.5Very high13 Ų1359.3 Ų59.37%0.06732%0.315CS..  trans-101.3111177.9-56.4173.9000107.9Y157 N162 L164 L196 F223 Q230 L231Y157-I226 WeakPolarHBondContact CE2-O 3.49Å; Y157-I226 PolarHBondContact OH-O 2.77Å; N162-I226 CarbonylContact C-O 3.54Å; N162-I226 PolarHBondContact O-N 2.95Å; L164-I226 HydrophobicContact CB-CD1 4.4Å; L196-I226 HydrophobicContact CD1-CD1 3.25Å; L196-I226 HydrophobicContact CD1-CG1 4.49Å; F223-I226 HydrophobicContact CB-CD1 3.47Å; F223-I226 VanDerWaalsContact CB-CD1 3.47Å; F223-I226 HydrophobicContact CB-CG1 4.48Å; F223-I226 HydrophobicContact CG-CD1 4.37Å; I226-Q230 HydrophobicContact CG2-CB 4.29Å; I226-L231 HydrophobicContact CG2-CD2 3.54Å; I226-L231 HydrophobicContact CG2-CG 3.91Å
227N90.2Very high90.1Very high74 Ų7455.2 Ų55.240%0.39629%0.291SS..  trans-75.2153.4177.1-65.1-38.2000110.9N229 Q230 L231N227-N229 PolarHBondContact O-N 2.9Å; N227-N229 VanDerWaalsContact O-N 3.17Å; N227-Q230 HydrophobicContact CB-CG 4.36Å; N227-Q230 WeakPolarHBondContact O-CA 3.3Å; N227-Q230 WeakPolarHBondContact O-CB 3.47Å; N227-Q230 PolarHBondContact O-N 2.75Å; N227-L231 PolarHBondContact O-N 2.99Å; N227-L231 VanDerWaalsContact O-N 3.08Å
228Y89Confident89.7Confident54 Ų5455.2 Ų55.221%0.21229%0.291CS..Hα-helixtrans-57.3-35.7179.2-176.6-97.8000113.3Y157 F159 Q230 L231 L264 K265Y157-Y228 HydrophobicContact CD1-CD2 4.31Å; Y157-Y228 HydrophobicContact CE1-CD2 4.08Å; Y157-Y228 PolarHBondContact OH-N 3.34Å; Y157-Y228 VanDerWaalsContact OH-N 3.13Å; F159-Y228 HydrophobicContact CE1-CD1 4.48Å; F159-Y228 AromaticContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CD2 3.59Å; F159-Y228 HydrophobicContact CE1-CE2 4.34Å; F159-Y228 AromaticContact CE1-CG 3.69Å; F159-Y228 HydrophobicContact CE1-CG 3.69Å; F159-Y228 AromaticContact CZ-CD2 3.5Å; F159-Y228 HydrophobicContact CZ-CD2 3.5Å; F159-Y228 AromaticContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CE2 3.91Å; F159-Y228 HydrophobicContact CZ-CG 4.1Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.27Å; Y228-L231 HydrophobicContact CD2-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.42Å; Y228-L231 PolarHBondContact O-N 3.02Å; Y228-L264 WeakPolarHBondContact CE2-O 3.37Å; Y228-K265 HydrophobicContact CE2-CG 4.35Å; Y228-K265 WeakPolarHBondContact OH-CG 3.13Å
229N89Confident89.4Confident120 Ų12050.3 Ų50.364%0.64227%0.265SS*.Hα-helixtrans-66.4-32.9175.2-66.2-21.3000112.5N227N227-N229 PolarHBondContact O-N 2.9Å; N227-N229 VanDerWaalsContact O-N 3.17Å
230Q87.1Confident89.1Confident86 Ų8648.6 Ų48.640%0.40226%0.257SS..Hα-helixtrans-72.5-34.4175.8-68.8171.3-4100111.2I226 N227 Y228 Q232 N233 T234I226-Q230 HydrophobicContact CG2-CB 4.29Å; N227-Q230 HydrophobicContact CB-CG 4.36Å; N227-Q230 WeakPolarHBondContact O-CA 3.3Å; N227-Q230 WeakPolarHBondContact O-CB 3.47Å; N227-Q230 PolarHBondContact O-N 2.75Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.27Å; Q230-Q232 PolarHBondContact O-N 3.13Å; Q230-N233 CarbonylContact O-C 3.58Å; Q230-N233 PolarHBondContact O-N 3.46Å; Q230-T234 PolarHBondContact O-N 3.02Å; Q230-T234 PolarHBondContact O-OG1 3.41Å
231L86.6Confident88.9Confident4 Ų443.8 Ų43.82%0.02123%0.231CC..Hα-helixtrans-54.7-35.1175.5-68.7176.4000112.4Y157 L164 I226 N227 Y228 N233 T234 L259Y157-L231 HydrophobicContact CD1-CD1 4.1Å; Y157-L231 HydrophobicContact CD2-CD1 3.56Å; Y157-L231 HydrophobicContact CE1-CD1 4.17Å; Y157-L231 HydrophobicContact CE2-CD1 3.61Å; Y157-L231 HydrophobicContact CE2-CG 4.32Å; Y157-L231 HydrophobicContact CG-CD1 3.8Å; L164-L231 HydrophobicContact CD2-CD2 4.2Å; I226-L231 HydrophobicContact CG2-CD2 3.54Å; I226-L231 HydrophobicContact CG2-CG 3.91Å; N227-L231 PolarHBondContact O-N 2.99Å; N227-L231 VanDerWaalsContact O-N 3.08Å; Y228-L231 HydrophobicContact CD2-CD1 4.06Å; Y228-L231 WeakPolarHBondContact O-CB 3.42Å; Y228-L231 PolarHBondContact O-N 3.02Å; L231-N233 PolarHBondContact O-N 3.33Å; L231-T234 PolarHBondContact O-N 3.19Å; L231-L259 HydrophobicContact CD2-CD1 3.62Å
232Q84.3Confident88.6Confident91 Ų9143.3 Ų43.343%0.42523%0.231SC..THydrogen-bonded Turntrans-63.5-24.2-179.7-62.4-176.72.700113.5Q230 N260Q230-Q232 PolarHBondContact O-N 3.13Å; Q232-N260 WeakPolarHBondContact O-CB 3.15Å; Q232-N260 PolarHBondContact O-ND2 3.01Å
233N84.1Confident88.4Confident132 Ų13244.8 Ų44.871%0.70623%0.234SC*.THydrogen-bonded Turntrans-10912.2176.8-62.8-30.9000112Q230 L231Q230-N233 CarbonylContact O-C 3.58Å; Q230-N233 PolarHBondContact O-N 3.46Å; L231-N233 PolarHBondContact O-N 3.33Å
234T84.5Confident88.1Confident18 Ų1847.6 Ų47.611%0.1125%0.249CC..  trans-106.7135.4-176.9-58.50000110.8L196 L197 Q230 L231 L259L196-T234 HydrophobicContact CB-CG2 4.14Å; L196-T234 HydrophobicContact CD2-CG2 3.76Å; L196-T234 HydrophobicContact CG-CG2 4.43Å; L197-T234 VanDerWaalsContact O-CA 3.29Å; L197-T234 WeakPolarHBondContact O-CA 3.43Å; Q230-T234 PolarHBondContact O-N 3.02Å; Q230-T234 PolarHBondContact O-OG1 3.41Å; L231-T234 PolarHBondContact O-N 3.19Å; T234-L259 HydrophobicContact CG2-CD1 3.88Å; T234-L259 WeakPolarHBondContact O-CB 3.27Å; T234-L259 PolarHBondContact O-N 2.88Å
235T84.6Confident87.8Confident37 Ų3747.6 Ų47.623%0.22725%0.248CC..EExtended strand (participates in β ladder)trans-116.8128.7170.9-62.40000109.3L197 L256 P258L197-T235 PolarHBondContact N-O 3.28Å; L197-T235 PolarHBondContact O-N 2.96Å; T235-L256 HydrophobicContact CG2-CB 4.27Å; T235-L256 HydrophobicContact CG2-CD2 3.91Å; T235-P258 HydrophobicContact CG2-CG 4.46Å
236L88.4Confident87.4Confident0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-85.4125171.7-177.661.9000109L155 V166 L196 F238 C257 L259L155-L236 HydrophobicContact CD2-CD2 3.74Å; V166-L236 HydrophobicContact CG1-CD2 3.92Å; V166-L236 HydrophobicContact CG2-CD1 4.47Å; V166-L236 HydrophobicContact CG2-CD2 3.78Å; L196-L236 HydrophobicContact CD2-CB 4.35Å; L196-L236 HydrophobicContact CD2-CD1 3.71Å; L236-F238 HydrophobicContact CD2-CE1 3.88Å; L236-F238 HydrophobicContact CD2-CE2 3.9Å; L236-F238 HydrophobicContact CD2-CZ 3.23Å; L236-F238 HydrophobicContact CG-CE1 4.02Å; L236-F238 HydrophobicContact CG-CE2 3.87Å; L236-F238 HydrophobicContact CG-CZ 3.55Å; L236-C257 HydrophobicContact CB-CB 4.4Å; L236-C257 PolarHBondContact N-O 2.87Å; L236-C257 PolarHBondContact O-N 3.38Å; L236-L259 HydrophobicContact CB-CD2 4.05Å; L236-L259 HydrophobicContact CB-CG 4.47Å
237H87.1Confident87Confident4 Ų452.1 Ų52.12%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-112.9134178.8172.1-121.7000110.7L194 Q195 L197 E254 A255 L256 L321L194-H237 WeakPolarHBondContact CA-O 3.38Å; Q195-H237 HydrophobicContact CG-CB 3.86Å; Q195-H237 PolarHBondContact N-O 2.57Å; Q195-H237 PolarHBondContact NE2-ND1 3.1Å; Q195-H237 PolarHBondContact O-N 3.41Å; L197-H237 HydrophobicContact CD1-CB 3.53Å; L197-H237 HydrophobicContact CG-CB 4.38Å; H237-E254 IonicContact CE1-OE1 3.45Å; H237-E254 PolarHBondContact CE1-OE1 3.07Å; H237-E254 VanDerWaalsContact NE2-CD 3.31Å; H237-E254 IonicContact NE2-OE1 3.23Å; H237-E254 PolarHBondContact NE2-OE1 2.83Å; H237-E254 IonicContact NE2-OE2 3.19Å; H237-A255 PolarHBondContact CD2-O 3.23Å; H237-L256 HydrophobicContact CB-CD2 3.76Å; H237-L256 VanDerWaalsContact CD2-CD2 3.5Å; H237-L256 WeakPolarHBondContact CD2-CD2 3.33Å; H237-L321 HydrophobicContact CB-CD1 4.33Å
238F90.4Very high86.3Confident0 Ų054.2 Ų54.20%026%0.257CS..EExtended strand (participates in β ladder)trans-114.6130.1174.6-53.3-81.8000108.9L151 Y153 V166 I168 V192 K193 L194 L236 E254 A255 C257L151-F238 HydrophobicContact CD2-CB 3.49Å; L151-F238 VanDerWaalsContact CD2-CB 3.49Å; L151-F238 HydrophobicContact CD2-CD1 3.66Å; L151-F238 HydrophobicContact CD2-CD2 3.98Å; L151-F238 HydrophobicContact CD2-CE1 4.34Å; L151-F238 HydrophobicContact CD2-CG 3.43Å; L151-F238 VanDerWaalsContact CD2-CG 3.43Å; Y153-F238 HydrophobicContact CD1-CE2 4.03Å; Y153-F238 AromaticContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD1-CZ 3.9Å; Y153-F238 HydrophobicContact CD2-CE1 4.47Å; Y153-F238 HydrophobicContact CD2-CE2 4.26Å; Y153-F238 AromaticContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CD2-CZ 3.61Å; Y153-F238 HydrophobicContact CE1-CD2 4.42Å; Y153-F238 AromaticContact CE1-CE2 3.62Å; Y153-F238 HydrophobicContact CE1-CE2 3.62Å; Y153-F238 AromaticContact CE1-CZ 3.9Å; Y153-F238 HydrophobicContact CE1-CZ 3.9Å; Y153-F238 AromaticContact CE2-CE2 3.85Å; Y153-F238 HydrophobicContact CE2-CE2 3.85Å; Y153-F238 AromaticContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CE2-CZ 3.6Å; Y153-F238 HydrophobicContact CG-CE1 4.37Å; Y153-F238 HydrophobicContact CG-CE2 4.34Å; Y153-F238 AromaticContact CG-CZ 3.76Å; Y153-F238 HydrophobicContact CG-CZ 3.76Å; Y153-F238 AromaticContact CZ-CE2 3.52Å; Y153-F238 AromaticContact CZ-CZ 3.76Å; V166-F238 HydrophobicContact CG1-CE1 4.11Å; V166-F238 HydrophobicContact CG1-CZ 4.32Å; I168-F238 HydrophobicContact CD1-CD1 3.96Å; I168-F238 HydrophobicContact CD1-CE1 3.5Å; I168-F238 VanDerWaalsContact CD1-CE1 3.5Å; I168-F238 HydrophobicContact CD1-CZ 4.45Å; V192-F238 HydrophobicContact CG1-CB 4.19Å; V192-F238 HydrophobicContact CG1-CD1 4.1Å; K193-F238 WeakPolarHBondContact O-CA 3.32Å; L194-F238 HydrophobicContact CD2-CD1 4.18Å; L194-F238 HydrophobicContact CD2-CE1 3.77Å; L194-F238 HydrophobicContact CG-CD1 3.94Å; L194-F238 HydrophobicContact CG-CE1 4.06Å; L236-F238 HydrophobicContact CD2-CE1 3.88Å; L236-F238 HydrophobicContact CD2-CE2 3.9Å; L236-F238 HydrophobicContact CD2-CZ 3.23Å; L236-F238 HydrophobicContact CG-CE1 4.02Å; L236-F238 HydrophobicContact CG-CE2 3.87Å; L236-F238 HydrophobicContact CG-CZ 3.55Å; F238-E254 CarbonylContact O-C 3.56Å; F238-E254 WeakPolarHBondContact O-CA 3.26Å; F238-A255 HydrophobicContact CB-CB 4.4Å; F238-A255 HydrophobicContact CD2-CB 4.29Å; F238-A255 PolarHBondContact N-O 3.3Å; F238-A255 PolarHBondContact O-N 2.97Å; F238-C257 HydrophobicContact CE2-CB 4.33Å
239A89.4Confident86.1Confident4 Ų454 Ų543%0.03326%0.259CS..EExtended strand (participates in β ladder)trans-117118165.600000108.4V192 K193 I241 E254V192-A239 WeakPolarHBondContact CA-O 3.4Å; K193-A239 HydrophobicContact CB-CB 4.46Å; K193-A239 PolarHBondContact N-O 3.44Å; K193-A239 PolarHBondContact O-N 2.8Å; A239-I241 HydrophobicContact CB-CD1 4.18Å; A239-I241 HydrophobicContact CB-CG1 4.19Å; A239-E254 HydrophobicContact CB-CG 4.32Å
240V92.1Very high85.8Confident0 Ų051.6 Ų51.60%024%0.243CC..EExtended strand (participates in β ladder)trans-91.9121.2173.5-174.50000107.9L174 V192 I252 G253 L277L174-V240 HydrophobicContact CD1-CG1 3.96Å; L174-V240 HydrophobicContact CD2-CG1 3.96Å; V192-V240 HydrophobicContact CG2-CG2 4.2Å; V240-I252 HydrophobicContact CG1-CB 4.46Å; V240-I252 HydrophobicContact CG1-CD1 4.21Å; V240-I252 PolarHBondContact O-N 3.22Å; V240-G253 PolarHBondContact N-O 2.89Å; V240-G253 PolarHBondContact O-N 2.85Å; V240-L277 HydrophobicContact CB-CD1 4.11Å; V240-L277 HydrophobicContact CB-CD2 4.49Å; V240-L277 HydrophobicContact CG2-CD1 3.68Å; V240-L277 HydrophobicContact CG2-CD2 3.64Å; V240-L277 HydrophobicContact CG2-CG 4.34Å
241I90.1Very high85.6Confident3 Ų348.7 Ų48.72%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-128.2133.1-165.9-58172.1000108.2P190 Y191 K193 A239 D249P190-I241 CarbonylContact C-O 3.53Å; P190-I241 VanDerWaalsContact CA-O 3.29Å; P190-I241 WeakPolarHBondContact CA-O 3.45Å; Y191-I241 HydrophobicContact CD1-CB 4.24Å; Y191-I241 HydrophobicContact CD1-CG2 4.47Å; Y191-I241 WeakPolarHBondContact CD1-O 3.27Å; Y191-I241 HydrophobicContact CE1-CB 3.76Å; Y191-I241 HydrophobicContact CE1-CG2 3.62Å; Y191-I241 HydrophobicContact CE2-CB 4.15Å; Y191-I241 HydrophobicContact CE2-CD1 3.96Å; Y191-I241 PolarHBondContact N-O 3.03Å; Y191-I241 PolarHBondContact O-N 3.41Å; K193-I241 HydrophobicContact CB-CD1 4.08Å; K193-I241 HydrophobicContact CD-CD1 4.45Å; A239-I241 HydrophobicContact CB-CD1 4.18Å; A239-I241 HydrophobicContact CB-CG1 4.19Å; I241-D249 HydrophobicContact CG2-CB 3.51Å
242A89.6Confident85.6Confident13 Ų1348.8 Ų48.811%0.10723%0.23CC..EExtended strand (participates in β ladder)trans-82.8116.3167.500000108.5L188 D249 K250 I252L188-A242 HydrophobicContact CD2-CB 4.09Å; A242-D249 WeakPolarHBondContact O-CA 3.23Å; A242-K250 PolarHBondContact N-O 3.05Å; A242-K250 PolarHBondContact O-N 2.92Å; A242-I252 HydrophobicContact CB-CD1 3.99Å; A242-I252 HydrophobicContact CB-CG1 4.09Å
243F90.2Very high85.8Confident82 Ų8244.4 Ų44.436%0.3621%0.21SC..  trans-67135.9172.5175.5-102.9000110.2D189 Y191 V208 R245 D249D189-F243 HydrophobicContact CB-CB 4.15Å; D189-F243 WeakPolarHBondContact O-CB 3.31Å; D189-F243 PolarHBondContact O-N 3.25Å; Y191-F243 HydrophobicContact CD1-CB 4Å; Y191-F243 HydrophobicContact CE1-CB 4.01Å; V208-F243 HydrophobicContact CG1-CB 3.96Å; V208-F243 HydrophobicContact CG1-CD1 4.43Å; V208-F243 HydrophobicContact CG1-CG 4.38Å; V208-F243 HydrophobicContact CG2-CB 4.17Å; V208-F243 HydrophobicContact CG2-CG 4.31Å; F243-R245 HydrophobicContact CE1-CB 4.37Å; F243-D249 WeakPolarHBondContact CA-OD1 3.32Å; F243-D249 WeakPolarHBondContact CD2-OD1 3.37Å
244D85.2Confident85.9Confident61 Ų6138.3 Ų38.333%0.32618%0.177SC..  trans-127.5136169.5-164-57000109.6F246 L247 D249D244-F246 PolarHBondContact OD1-N 2.82Å; D244-L247 HydrophobicContact CB-CB 4.03Å; D244-L247 PolarHBondContact OD1-N 2.78Å; D244-D249 PolarHBondContact N-OD1 3.44Å
245R86.1Confident86Confident147 Ų14737.7 Ų37.756%0.55517%0.174SC*.SBendtrans-75.7-29.5-177.8-174.8178.8171.9177.41112.2Q49 F243Q49-R245 PolarHBondContact O-NH2 2.96Å; F243-R245 HydrophobicContact CE1-CB 4.37Å
246F79.7Confident86Confident87 Ų8738.6 Ų38.638%0.38218%0.177SC..SBendtrans-116.9-25.6-169.8-52.2-48.4000112.2T46 D244T46-F246 HydrophobicContact CG2-CD1 4.38Å; T46-F246 HydrophobicContact CG2-CE1 4.22Å; T46-F246 WeakPolarHBondContact OG1-CD1 3.28Å; T46-F246 WeakPolarHBondContact OG1-CE1 3.31Å; T46-F246 WeakPolarHBondContact OG1-CZ 3.45Å; D244-F246 PolarHBondContact OD1-N 2.82Å
247L79.3Confident85.9Confident77 Ų7739 Ų3940%0.40318%0.18SC..SBendtrans-104.9170.8175.9-56.3179.5000111.3E130 D244E130-L247 VanDerWaalsContact CD-CD2 3.49Å; E130-L247 WeakPolarHBondContact OE1-CD2 3.43Å; D244-L247 HydrophobicContact CB-CB 4.03Å; D244-L247 PolarHBondContact OD1-N 2.78Å
248R76Confident85.9Confident118 Ų11841.2 Ų41.245%0.44520%0.195SC..  trans-66.5137.1167.1-67-171.7-173.5172.48.3109.4E131 K250E131-R248 IonicContact OE1-CZ 2.88Å; E131-R248 IonicContact OE1-NH1 3.73Å; E131-R248 PolarHBondContact OE1-NH1 3.02Å; E131-R248 IonicContact OE1-NH2 2.84Å; R248-K250 PolarHBondContact O-N 2.83Å
249D85.5Confident85.8Confident50 Ų5041.4 Ų41.427%0.26720%0.196SC..  trans-50.4135173.2-74.5-1.7000112.1Y191 I241 A242 F243 D244Y191-D249 WeakPolarHBondContact CE1-OD2 3.38Å; Y191-D249 PolarHBondContact OH-OD2 2.86Å; I241-D249 HydrophobicContact CG2-CB 3.51Å; A242-D249 WeakPolarHBondContact O-CA 3.23Å; F243-D249 WeakPolarHBondContact CA-OD1 3.32Å; F243-D249 WeakPolarHBondContact CD2-OD1 3.37Å; D244-D249 PolarHBondContact N-OD1 3.44Å
250K81.2Confident85.5Confident69 Ų6946.3 Ų46.330%0.322%0.221SC..EExtended strand (participates in β ladder)trans-104.6125.1-174.3-176.5171.7-179.3172.80111.6K177 A242 R248 I252K177-K250 PolarHBondContact O-NZ 2.9Å; A242-K250 PolarHBondContact N-O 3.05Å; A242-K250 PolarHBondContact O-N 2.92Å; R248-K250 PolarHBondContact O-N 2.83Å; K250-I252 PolarHBondContact O-N 2.98Å
251I83.9Confident84.9Confident26 Ų2650.4 Ų50.413%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-70.1120175.7-54166.4000109.9K177 E254 T388K177-I251 PolarHBondContact NZ-O 3.27Å; I251-E254 HydrophobicContact CG2-CG 4.03Å; I251-T388 HydrophobicContact CD1-CG2 3.19Å; I251-T388 HydrophobicContact CG1-CG2 3.91Å
252I86.9Confident84.7Confident5 Ų551.9 Ų51.93%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-77.3-54.4172.4-60.6167.4000108.3C148 L174 K177 L188 P190 V240 A242 K250C148-I252 HydrophobicContact CB-CG2 4.49Å; C148-I252 WeakPolarHBondContact CB-O 3.38Å; C148-I252 PolarHBondContact SG-O 2.56Å; C148-I252 VanDerWaalsContact SG-O 3.32Å; L174-I252 HydrophobicContact CB-CD1 4.46Å; L174-I252 HydrophobicContact CB-CG2 4.34Å; L174-I252 HydrophobicContact CD1-CD1 4.15Å; L174-I252 HydrophobicContact CD2-CG2 4.1Å; K177-I252 VanDerWaalsContact CE-O 3.24Å; K177-I252 WeakPolarHBondContact CE-O 3.03Å; K177-I252 PolarHBondContact NZ-O 2.79Å; L188-I252 HydrophobicContact CD1-CD1 3.98Å; P190-I252 HydrophobicContact CB-CD1 4.3Å; V240-I252 HydrophobicContact CG1-CB 4.46Å; V240-I252 HydrophobicContact CG1-CD1 4.21Å; V240-I252 PolarHBondContact O-N 3.22Å; A242-I252 HydrophobicContact CB-CD1 3.99Å; A242-I252 HydrophobicContact CB-CG1 4.09Å; K250-I252 PolarHBondContact O-N 2.98Å
253G87.2Confident84.3Confident0 Ų055.4 Ų55.40%028%0.275CS..EExtended strand (participates in β ladder)trans-168.9169.6177.700000112.7V240 V278V240-G253 PolarHBondContact N-O 2.89Å; V240-G253 PolarHBondContact O-N 2.85Å; G253-V278 CarbonylContact C-O 3.44Å; G253-V278 WeakPolarHBondContact CA-O 3.48Å
254E86.8Confident84Confident4 Ų451.7 Ų51.72%0.01926%0.259CS..EExtended strand (participates in β ladder)trans-129.4153.1-178.4-57.5-169.2134.500111.5H237 F238 A239 I251 V278 R280 K283H237-E254 IonicContact CE1-OE1 3.45Å; H237-E254 PolarHBondContact CE1-OE1 3.07Å; H237-E254 VanDerWaalsContact NE2-CD 3.31Å; H237-E254 IonicContact NE2-OE1 3.23Å; H237-E254 PolarHBondContact NE2-OE1 2.83Å; H237-E254 IonicContact NE2-OE2 3.19Å; F238-E254 CarbonylContact O-C 3.56Å; F238-E254 WeakPolarHBondContact O-CA 3.26Å; A239-E254 HydrophobicContact CB-CG 4.32Å; I251-E254 HydrophobicContact CG2-CG 4.03Å; E254-V278 PolarHBondContact N-O 3.35Å; E254-V278 PolarHBondContact O-N 2.87Å; E254-R280 IonicContact OE1-CZ 3.63Å; E254-R280 IonicContact OE1-NE 2.78Å; E254-R280 PolarHBondContact OE1-NE 3.5Å; E254-R280 IonicContact OE1-NH2 3.86Å; E254-R280 PolarHBondContact OE1-NH2 3.09Å; E254-R280 IonicContact OE2-CZ 2.82Å; E254-R280 IonicContact OE2-NE 3.02Å; E254-R280 PolarHBondContact OE2-NE 3.49Å; E254-R280 IonicContact OE2-NH2 3.29Å; E254-K283 IonicContact OE2-NZ 2.83Å; E254-K283 PolarHBondContact OE2-NZ 3.31Å; E254-K283 VanDerWaalsContact OE2-NZ 3.07Å
255A86.7Confident83.8Confident5 Ų555.9 Ų55.94%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-138.5151.4175.100000111.4H237 F238 I275 L277H237-A255 PolarHBondContact CD2-O 3.23Å; F238-A255 HydrophobicContact CB-CB 4.4Å; F238-A255 HydrophobicContact CD2-CB 4.29Å; F238-A255 PolarHBondContact N-O 3.3Å; F238-A255 PolarHBondContact O-N 2.97Å; A255-I275 HydrophobicContact CB-CB 4.36Å; A255-I275 HydrophobicContact CB-CD1 3.87Å; A255-I275 HydrophobicContact CB-CG1 3.9Å; A255-I275 HydrophobicContact CB-CG2 3.52Å; A255-L277 HydrophobicContact CB-CD2 3.9Å
256L84.4Confident83.7Confident56 Ų5653.5 Ų53.529%0.29327%0.269SS..EExtended strand (participates in β ladder)trans-128.2134-178.1-67.1165.6000111L197 T235 H237 I275 L321L197-L256 HydrophobicContact CD1-CD2 4.38Å; T235-L256 HydrophobicContact CG2-CB 4.27Å; T235-L256 HydrophobicContact CG2-CD2 3.91Å; H237-L256 HydrophobicContact CB-CD2 3.76Å; H237-L256 VanDerWaalsContact CD2-CD2 3.5Å; H237-L256 WeakPolarHBondContact CD2-CD2 3.33Å; L256-I275 WeakPolarHBondContact O-CD1 3.19Å; L256-L321 HydrophobicContact CD1-CD1 4.14Å; L256-L321 HydrophobicContact CD1-CD2 3.29Å; L256-L321 HydrophobicContact CD1-CG 4.27Å; L256-L321 HydrophobicContact CD2-CD1 3.26Å; L256-L321 HydrophobicContact CD2-CD2 3.73Å; L256-L321 HydrophobicContact CD2-CG 4.06Å; L256-L321 HydrophobicContact CG-CD1 4.23Å; L256-L321 HydrophobicContact CG-CD2 4.13Å
257C86.9Confident83.9Confident8 Ų851.9 Ų51.95%0.05427%0.269CS..EExtended strand (participates in β ladder)trans-130.294.3177.4-173.50000109.7Y153 L236 F238 L259 L262Y153-C257 WeakPolarHBondContact OH-CB 3.3Å; Y153-C257 PolarHBondContact OH-SG 3.46Å; L236-C257 HydrophobicContact CB-CB 4.4Å; L236-C257 PolarHBondContact N-O 2.87Å; L236-C257 PolarHBondContact O-N 3.38Å; F238-C257 HydrophobicContact CE2-CB 4.33Å; C257-L259 PolarHBondContact O-N 2.88Å; C257-L262 VanDerWaalsContact SG-CD1 3.59Å
258P86.9Confident84.2Confident51 Ų5152.9 Ų52.933%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-60.2117.8168.4-22.434.6000109.3T235 N260 S261T235-P258 HydrophobicContact CG2-CG 4.46Å; P258-N260 VanDerWaalsContact CB-OD1 3.25Å; P258-N260 WeakPolarHBondContact CB-OD1 3.08Å; P258-N260 PolarHBondContact O-N 2.98Å; P258-S261 PolarHBondContact O-N 3.44Å; P258-S261 PolarHBondContact O-OG 3.02Å
259L88.1Confident84.9Confident4 Ų451.4 Ų51.42%0.02127%0.271CS..G310 helixtrans-72.9-18.8-172.8-59.5180000112.3L155 L164 L231 T234 L236 C257 S261 L262 L264L155-L259 HydrophobicContact CD1-CD2 3.86Å; L164-L259 HydrophobicContact CD2-CD1 3.61Å; L231-L259 HydrophobicContact CD2-CD1 3.62Å; T234-L259 HydrophobicContact CG2-CD1 3.88Å; T234-L259 WeakPolarHBondContact O-CB 3.27Å; T234-L259 PolarHBondContact O-N 2.88Å; L236-L259 HydrophobicContact CB-CD2 4.05Å; L236-L259 HydrophobicContact CB-CG 4.47Å; C257-L259 PolarHBondContact O-N 2.88Å; L259-S261 PolarHBondContact O-N 2.99Å; L259-L262 HydrophobicContact CD2-CD1 4.22Å; L259-L262 PolarHBondContact O-N 3.17Å; L259-L264 HydrophobicContact CB-CD1 4.41Å
260N83.8Confident85.3Confident106 Ų10651.5 Ų51.557%0.56728%0.279SS*.G310 helixtrans-64.1-23.8172.464.31.9000114.3Q232 P258 L262Q232-N260 WeakPolarHBondContact O-CB 3.15Å; Q232-N260 PolarHBondContact O-ND2 3.01Å; P258-N260 VanDerWaalsContact CB-OD1 3.25Å; P258-N260 WeakPolarHBondContact CB-OD1 3.08Å; P258-N260 PolarHBondContact O-N 2.98Å; N260-L262 PolarHBondContact O-N 2.84Å
261S79.1Confident85.8Confident86 Ų8649.8 Ų49.860%0.60127%0.273SS*.G310 helixtrans-81-9.3-179.3690000112.7P258 L259P258-S261 PolarHBondContact O-N 3.44Å; P258-S261 PolarHBondContact O-OG 3.02Å; L259-S261 PolarHBondContact O-N 2.99Å
262L85.1Confident86.3Confident34 Ų3453.4 Ų53.418%0.17829%0.292CS..SBendtrans-104.4146-175.7-57.3179.8000111.4L155 C257 L259 N260 L264 I271 I273L155-L262 HydrophobicContact CD1-CD1 3.27Å; C257-L262 VanDerWaalsContact SG-CD1 3.59Å; L259-L262 HydrophobicContact CD2-CD1 4.22Å; L259-L262 PolarHBondContact O-N 3.17Å; N260-L262 PolarHBondContact O-N 2.84Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 HydrophobicContact CB-CD1 4.33Å; L262-L264 HydrophobicContact CB-CG 4.11Å; L262-L264 PolarHBondContact O-N 2.89Å; L262-I271 HydrophobicContact CB-CD1 4.21Å; L262-I273 HydrophobicContact CD1-CD1 3.57Å; L262-I273 HydrophobicContact CD2-CD1 3.71Å; L262-I273 HydrophobicContact CG-CD1 4.3Å
263N82.1Confident86.7Confident87 Ų8754.7 Ų54.747%0.46530%0.299SS..  trans-82.366.5177.8-168.111.8000112.1K265N263-K265 PolarHBondContact O-N 3.42Å
264L83.2Confident87.1Confident5 Ų559.2 Ų59.23%0.02632%0.323CS..THydrogen-bonded Turntrans-85.321.5177.3-65.9169.8000113.1L155 F159 L164 Y228 L259 L262 I271L155-L264 HydrophobicContact CB-CD2 4.31Å; F159-L264 WeakPolarHBondContact CE2-O 3.46Å; F159-L264 WeakPolarHBondContact CZ-O 3.29Å; L164-L264 HydrophobicContact CD1-CD1 4.41Å; Y228-L264 WeakPolarHBondContact CE2-O 3.37Å; L259-L264 HydrophobicContact CB-CD1 4.41Å; L262-L264 VanDerWaalsContact C-N 3.25Å; L262-L264 HydrophobicContact CB-CD1 4.33Å; L262-L264 HydrophobicContact CB-CG 4.11Å; L262-L264 PolarHBondContact O-N 2.89Å; L264-I271 HydrophobicContact CD2-CD1 3.62Å; L264-I271 HydrophobicContact CD2-CG1 4.37Å; L264-I271 HydrophobicContact CG-CD1 4.07Å
265K81.1Confident87.3Confident149 Ų14960.8 Ų60.865%0.64833%0.331SS*.THydrogen-bonded Turntrans-74.5-27.1-178.9-72.7178.3179.8-179.30113.5F159 Y228 N263F159-K265 VanDerWaalsContact CE2-O 3.29Å; F159-K265 WeakPolarHBondContact CE2-O 3.4Å; F159-K265 VanDerWaalsContact CZ-O 3.29Å; F159-K265 WeakPolarHBondContact CZ-O 3.43Å; Y228-K265 HydrophobicContact CE2-CG 4.35Å; Y228-K265 WeakPolarHBondContact OH-CG 3.13Å; N263-K265 PolarHBondContact O-N 3.42Å
266E84.6Confident87.5Confident96 Ų9665 Ų6545%0.44935%0.353SS..SBendtrans-91.2119.1179.7-70.4167.6-126.900109N268 K269E266-N268 PolarHBondContact O-N 3.22Å; E266-K269 HydrophobicContact CB-CB 3.95Å; E266-K269 HydrophobicContact CB-CD 4.02Å; E266-K269 PolarHBondContact O-N 3.23Å; E266-K269 IonicContact OE1-NZ 2.84Å; E266-K269 PolarHBondContact OE1-NZ 3.01Å; E266-K269 WeakPolarHBondContact OE2-CD 3.23Å; E266-K269 IonicContact OE2-NZ 3.77Å; E266-K269 PolarHBondContact OE2-NZ 3.21Å
267S83.8Confident87.7Confident54 Ų5462.6 Ų62.638%0.37834%0.341SS..THydrogen-bonded Turntrans-59136.9178-162.30000111F159 K269F159-S267 VanDerWaalsContact CD2-CB 3.47Å; F159-S267 PolarHBondContact N-OG 2.85Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 VanDerWaalsContact O-N 3.14Å
268N86Confident87.4Confident98 Ų9865.7 Ų65.752%0.52436%0.359SS..THydrogen-bonded Turntrans61.315.1177.1-61.2-48.3000115.8Y157 E266Y157-N268 PolarHBondContact O-N 3.34Å; E266-N268 PolarHBondContact O-N 3.22Å
269K90.6Very high86.8Confident86 Ų8664.6 Ų64.637%0.37435%0.351SS..  trans-78.2125.9170.8-171.8-179.1-162.6150.30110.6E266 S267E266-K269 HydrophobicContact CB-CB 3.95Å; E266-K269 HydrophobicContact CB-CD 4.02Å; E266-K269 PolarHBondContact O-N 3.23Å; E266-K269 IonicContact OE1-NZ 2.84Å; E266-K269 PolarHBondContact OE1-NZ 3.01Å; E266-K269 WeakPolarHBondContact OE2-CD 3.23Å; E266-K269 IonicContact OE2-NZ 3.77Å; E266-K269 PolarHBondContact OE2-NZ 3.21Å; S267-K269 PolarHBondContact O-N 3.36Å; S267-K269 VanDerWaalsContact O-N 3.14Å
270A92.3Very high85.6Confident53 Ų5365.3 Ų65.344%0.43835%0.353SS..  trans-80.2130.917300000111.7R154 L155 I156R154-A270 HydrophobicContact CG-CB 3.96Å; L155-A270 WeakPolarHBondContact O-CA 3.39Å; I156-A270 HydrophobicContact CD1-CB 4.27Å; I156-A270 HydrophobicContact CG1-CB 3.93Å
271I93.3Very high84.3Confident33 Ų3362.7 Ų62.717%0.16934%0.343CS..EExtended strand (participates in β ladder)trans-117.5113.5172.9-53.8179.9000108.3R154 L155 L262 L264 I273R154-I271 CarbonylContact C-O 3.56Å; R154-I271 VanDerWaalsContact CA-O 3.26Å; R154-I271 WeakPolarHBondContact CA-O 2.99Å; L155-I271 PolarHBondContact N-O 2.9Å; L155-I271 PolarHBondContact O-N 2.81Å; L262-I271 HydrophobicContact CB-CD1 4.21Å; L264-I271 HydrophobicContact CD2-CD1 3.62Å; L264-I271 HydrophobicContact CD2-CG1 4.37Å; L264-I271 HydrophobicContact CG-CD1 4.07Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 3.94Å
272D94.3Very high83.1Confident101 Ų10160.8 Ų60.854%0.5433%0.326SS..EExtended strand (participates in β ladder)trans-87.8127.8176.1-73-1.3000110R154R154-D272 VanDerWaalsContact CB-OD1 3.26Å; R154-D272 WeakPolarHBondContact CB-OD1 3.46Å; R154-D272 VanDerWaalsContact CG-OD1 3.23Å; R154-D272 WeakPolarHBondContact CG-OD1 3.22Å; R154-D272 IonicContact CZ-OD1 3.81Å; R154-D272 IonicContact NE-OD1 3.77Å; R154-D272 PolarHBondContact NE-OD1 2.87Å; R154-D272 IonicContact NE-OD2 2.86Å; R154-D272 IonicContact NH2-OD1 2.7Å; R154-D272 PolarHBondContact NH2-OD1 2.81Å; R154-D272 IonicContact NH2-OD2 2.78Å; R154-D272 PolarHBondContact NH2-OD2 3.38Å
273I94.7Very high81.6Confident33 Ų3361.6 Ų61.617%0.16933%0.328CS..EExtended strand (participates in β ladder)trans-129.2137.4-175.4-56.1173.3000109.3R152 Y153 L155 L262 I271R152-I273 WeakPolarHBondContact CA-O 3.45Å; Y153-I273 HydrophobicContact CD1-CB 4.42Å; Y153-I273 HydrophobicContact CE1-CB 3.87Å; Y153-I273 HydrophobicContact CE1-CG2 3.75Å; Y153-I273 HydrophobicContact CE2-CB 4.04Å; Y153-I273 HydrophobicContact CE2-CD1 3.77Å; Y153-I273 HydrophobicContact CE2-CG1 4.38Å; Y153-I273 HydrophobicContact CE2-CG2 4.48Å; Y153-I273 PolarHBondContact N-O 2.92Å; Y153-I273 PolarHBondContact O-N 2.85Å; Y153-I273 WeakPolarHBondContact OH-CG2 3.12Å; L155-I273 HydrophobicContact CD1-CD1 3.89Å; L155-I273 HydrophobicContact CG-CD1 4.49Å; L262-I273 HydrophobicContact CD1-CD1 3.57Å; L262-I273 HydrophobicContact CD2-CD1 3.71Å; L262-I273 HydrophobicContact CG-CD1 4.3Å; I271-I273 HydrophobicContact CG2-CD1 4.16Å; I271-I273 HydrophobicContact CG2-CG1 3.94Å
274N95.3Very high80.3Confident94 Ų9458 Ų5850%0.50331%0.308SS..EExtended strand (participates in β ladder)trans-122.8112.8171.7-170.317.7000108.3L151 R152L151-N274 WeakPolarHBondContact O-CA 3.25Å; R152-N274 HydrophobicContact CG-CB 4.03Å; R152-N274 VanDerWaalsContact CG-OD1 3.27Å; R152-N274 WeakPolarHBondContact CG-OD1 3.42Å
275I91.8Very high78.9Confident37 Ų3761.2 Ų61.219%0.1932%0.323CS..EExtended strand (participates in β ladder)trans-117.7137.9-173.3-169.3158.1000111.2K150 L151 Y153 A255 L256K150-I275 CarbonylContact C-O 3.56Å; K150-I275 WeakPolarHBondContact CA-O 3.48Å; L151-I275 HydrophobicContact CB-CG2 4.02Å; L151-I275 PolarHBondContact N-O 2.78Å; L151-I275 PolarHBondContact O-N 2.98Å; Y153-I275 HydrophobicContact CD1-CG2 4.43Å; Y153-I275 HydrophobicContact CE1-CB 4.39Å; Y153-I275 HydrophobicContact CE1-CG2 3.74Å; A255-I275 HydrophobicContact CB-CB 4.36Å; A255-I275 HydrophobicContact CB-CD1 3.87Å; A255-I275 HydrophobicContact CB-CG1 3.9Å; A255-I275 HydrophobicContact CB-CG2 3.52Å; L256-I275 WeakPolarHBondContact O-CD1 3.19Å
276D90.8Very high77.6Confident94 Ų9460.7 Ų60.750%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-74.1136.4173.8-65.3-39.2000110.6K150K150-D276 WeakPolarHBondContact CD-OD1 3.27Å; K150-D276 WeakPolarHBondContact CE-OD1 3.43Å; K150-D276 WeakPolarHBondContact CG-OD1 3.26Å
277L88.6Confident76.6Confident5 Ų558.2 Ų58.23%0.02632%0.319CS..  trans-86.1133.8177.6-64.5167.5000110.3C148 G149 L151 L174 V240 A255C148-L277 HydrophobicContact CB-CB 3.81Å; C148-L277 WeakPolarHBondContact CB-O 3.41Å; C148-L277 PolarHBondContact N-O 2.9Å; G149-L277 WeakPolarHBondContact O-CB 3.28Å; G149-L277 PolarHBondContact O-N 2.9Å; L151-L277 HydrophobicContact CB-CD2 4.13Å; L151-L277 HydrophobicContact CB-CG 4.43Å; L174-L277 HydrophobicContact CD2-CD1 3.59Å; V240-L277 HydrophobicContact CB-CD1 4.11Å; V240-L277 HydrophobicContact CB-CD2 4.49Å; V240-L277 HydrophobicContact CG2-CD1 3.68Å; V240-L277 HydrophobicContact CG2-CD2 3.64Å; V240-L277 HydrophobicContact CG2-CG 4.34Å; A255-L277 HydrophobicContact CB-CD2 3.9Å
278V80.3Confident75.7Confident74 Ų7465.5 Ų65.545%0.44834%0.344SS..BIsolated β-bridgetrans-109.1139.5179.7-176.40000110.2G253 E254 R280G253-V278 CarbonylContact C-O 3.44Å; G253-V278 WeakPolarHBondContact CA-O 3.48Å; E254-V278 PolarHBondContact N-O 3.35Å; E254-V278 PolarHBondContact O-N 2.87Å; V278-R280 PolarHBondContact O-N 3.4Å
279N73.2Confident75Confident27 Ų2767.2 Ų67.214%0.14435%0.352CS..  trans-70.9124.5171.9-175-1.5000110.5C148 K177 S281 L282C148-N279 VanDerWaalsContact SG-CB 3.59Å; C148-N279 PolarHBondContact SG-N 2.81Å; K177-N279 VanDerWaalsContact CE-CG 3.45Å; K177-N279 WeakPolarHBondContact CE-ND2 3.15Å; K177-N279 PolarHBondContact NZ-ND2 2.79Å; K177-N279 VanDerWaalsContact NZ-ND2 3.19Å; K177-N279 PolarHBondContact NZ-OD1 3.25Å; N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 VanDerWaalsContact CG-OG 3.25Å; N279-S281 PolarHBondContact ND2-OG 2.88Å; N279-S281 PolarHBondContact O-N 3.01Å; N279-S281 PolarHBondContact OD1-N 3.32Å; N279-S281 PolarHBondContact OD1-OG 2.95Å; N279-L282 HydrophobicContact CB-CD1 3.84Å; N279-L282 HydrophobicContact CB-CG 3.89Å; N279-L282 PolarHBondContact O-N 2.9Å
280R64.6Low74.8Confident19 Ų1963.7 Ų63.77%0.07234%0.336CS..THydrogen-bonded Turntrans-60.2-36.1177.5-163.7-172.7-94.4-158.90.7112.8E254 V278 L282 K283 D385 T388 E391E254-R280 IonicContact OE1-CZ 3.63Å; E254-R280 IonicContact OE1-NE 2.78Å; E254-R280 PolarHBondContact OE1-NE 3.5Å; E254-R280 IonicContact OE1-NH2 3.86Å; E254-R280 PolarHBondContact OE1-NH2 3.09Å; E254-R280 IonicContact OE2-CZ 2.82Å; E254-R280 IonicContact OE2-NE 3.02Å; E254-R280 PolarHBondContact OE2-NE 3.49Å; E254-R280 IonicContact OE2-NH2 3.29Å; V278-R280 PolarHBondContact O-N 3.4Å; R280-L282 PolarHBondContact O-N 3.15Å; R280-K283 HydrophobicContact CG-CD 4.2Å; R280-K283 VanDerWaalsContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CG 3.36Å; R280-K283 PolarHBondContact O-N 2.91Å; R280-D385 IonicContact NH1-OD1 3.77Å; R280-D385 IonicContact NH1-OD2 3.84Å; R280-D385 PolarHBondContact NH1-OD2 2.92Å; R280-T388 PolarHBondContact NH1-OG1 2.85Å; R280-T388 VanDerWaalsContact NH1-OG1 3.09Å; R280-E391 WeakPolarHBondContact CD-OE1 3.13Å; R280-E391 VanDerWaalsContact CD-OE2 3.31Å; R280-E391 WeakPolarHBondContact CD-OE2 3.22Å; R280-E391 VanDerWaalsContact CG-OE1 3.26Å; R280-E391 WeakPolarHBondContact CG-OE1 3.46Å; R280-E391 IonicContact NH1-OE2 2.82Å
281S56.2Low74.8Confident52 Ų5261.4 Ų61.436%0.36432%0.318SS..Hα-helixtrans-62.7-29.3-178.6730000113.5N279 K283 F284N279-S281 VanDerWaalsContact C-N 3.3Å; N279-S281 VanDerWaalsContact CG-OG 3.25Å; N279-S281 PolarHBondContact ND2-OG 2.88Å; N279-S281 PolarHBondContact O-N 3.01Å; N279-S281 PolarHBondContact OD1-N 3.32Å; N279-S281 PolarHBondContact OD1-OG 2.95Å; S281-K283 PolarHBondContact O-N 3.26Å; S281-F284 PolarHBondContact O-N 2.72Å
282L52.3Low74.9Confident45 Ų4561.4 Ų61.424%0.23632%0.318CS..Hα-helixtrans-67.7-19.7177.3-61.3176.9000112.1N279 R280 F284 Q285N279-L282 HydrophobicContact CB-CD1 3.84Å; N279-L282 HydrophobicContact CB-CG 3.89Å; N279-L282 PolarHBondContact O-N 2.9Å; R280-L282 PolarHBondContact O-N 3.15Å; L282-F284 PolarHBondContact O-N 2.83Å; L282-Q285 PolarHBondContact O-N 2.8Å
283K54Low75.1Confident52 Ų5256.6 Ų56.623%0.22629%0.292CS..Hα-helixtrans-66.4-36.6179.1-61.6178-179.81700111.5E254 R280 S281 F319E254-K283 IonicContact OE2-NZ 2.83Å; E254-K283 PolarHBondContact OE2-NZ 3.31Å; E254-K283 VanDerWaalsContact OE2-NZ 3.07Å; R280-K283 HydrophobicContact CG-CD 4.2Å; R280-K283 VanDerWaalsContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CB 3.22Å; R280-K283 WeakPolarHBondContact O-CG 3.36Å; R280-K283 PolarHBondContact O-N 2.91Å; S281-K283 PolarHBondContact O-N 3.26Å; K283-F319 HydrophobicContact CB-CD1 3.82Å; K283-F319 HydrophobicContact CB-CE1 4.18Å; K283-F319 HydrophobicContact CB-CG 4.29Å; K283-F319 WeakPolarHBondContact O-CE1 3.29Å
284F55.4Low75.3Confident10 Ų1056.2 Ų56.24%0.04429%0.29CS..Hα-helixtrans-77.6-30.3178.2-67.5-95.4000113.3S281 L282 N286 V287 R290 F319 E391 M393S281-F284 PolarHBondContact O-N 2.72Å; L282-F284 PolarHBondContact O-N 2.83Å; F284-N286 VanDerWaalsContact C-N 3.28Å; F284-N286 PolarHBondContact O-N 3.41Å; F284-V287 PolarHBondContact O-N 3.49Å; F284-R290 VanDerWaalsContact C-NH2 3.27Å; F284-R290 PolarHBondContact O-NE 2.8Å; F284-R290 PolarHBondContact O-NH2 2.93Å; F284-F319 HydrophobicContact CB-CE2 4.47Å; F284-F319 AromaticContact CD1-CD2 3.69Å; F284-F319 HydrophobicContact CD1-CD2 3.69Å; F284-F319 AromaticContact CD1-CE2 3.14Å; F284-F319 HydrophobicContact CD1-CE2 3.14Å; F284-F319 AromaticContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD2-CD2 4.23Å; F284-F319 HydrophobicContact CD2-CE2 4.23Å; F284-F319 AromaticContact CE1-CD2 3.25Å; F284-F319 HydrophobicContact CE1-CD2 3.25Å; F284-F319 AromaticContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CG 4.47Å; F284-F319 HydrophobicContact CE1-CZ 4.34Å; F284-F319 AromaticContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CE2 4.23Å; F284-F319 HydrophobicContact CE2-CG 4.42Å; F284-F319 HydrophobicContact CG-CD2 4.15Å; F284-F319 AromaticContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CZ 4.19Å; F284-F319 AromaticContact CZ-CD2 3.33Å; F284-F319 HydrophobicContact CZ-CD2 3.33Å; F284-F319 AromaticContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CG 4.25Å; F284-E391 HydrophobicContact CE2-CB 3.91Å; F284-E391 HydrophobicContact CE2-CG 4.3Å; F284-E391 WeakPolarHBondContact CE2-OE2 3.44Å; F284-E391 HydrophobicContact CZ-CB 3.78Å; F284-E391 WeakPolarHBondContact CZ-OE2 3.41Å; F284-M393 HydrophobicContact CE1-CB 4.5Å; F284-M393 HydrophobicContact CE1-CG 4.32Å
285Q53.6Low75.4Confident74 Ų7451.7 Ų51.735%0.34627%0.266SS..Hα-helixtrans-63.9-35-175.9-71.2174.5-2.100112.3D142 L282D142-Q285 PolarHBondContact OD1-NE2 3.09Å; D142-Q285 PolarHBondContact OD1-OE1 2.92Å; D142-Q285 PolarHBondContact OD2-NE2 2.93Å; L282-Q285 PolarHBondContact O-N 2.8Å
286N54.5Low75.8Confident138 Ų13850.1 Ų50.174%0.73826%0.258SS*.THydrogen-bonded Turntrans-86.6-4.2-178.6-69.4-30.6000114F284 K288F284-N286 VanDerWaalsContact C-N 3.28Å; F284-N286 PolarHBondContact O-N 3.41Å; N286-K288 PolarHBondContact O-N 2.77Å
287V63.7Low76.1Confident44 Ų4445.6 Ų45.627%0.26723%0.234SC..  trans-83.3105.5178.4172.10000110.5F284 L289 R290 P317 F319F284-V287 PolarHBondContact O-N 3.49Å; V287-L289 VanDerWaalsContact C-N 3.25Å; V287-L289 WeakPolarHBondContact CG1-O 3.39Å; V287-L289 PolarHBondContact O-N 2.94Å; V287-R290 HydrophobicContact CG1-CG 4.26Å; V287-P317 HydrophobicContact CG1-CB 4.16Å; V287-F319 HydrophobicContact CB-CE1 4.36Å; V287-F319 HydrophobicContact CB-CZ 3.82Å; V287-F319 HydrophobicContact CG1-CZ 4.31Å; V287-F319 HydrophobicContact CG2-CE1 3.27Å; V287-F319 HydrophobicContact CG2-CZ 3.2Å
288K63.3Low76.5Confident206 Ų20646 Ų4690%0.89624%0.236SC*.SBendtrans-62.1-30179.6-65.7-176.1178.4-179.20113.3N286N286-K288 PolarHBondContact O-N 2.77Å
289L73.1Confident77.2Confident134 Ų13443.3 Ų43.370%0.70222%0.219SC*.  trans-124.7101.8-175.8-75.1155.1000109V287 G291V287-L289 VanDerWaalsContact C-N 3.25Å; V287-L289 WeakPolarHBondContact CG1-O 3.39Å; V287-L289 PolarHBondContact O-N 2.94Å; L289-G291 VanDerWaalsContact C-N 3.31Å
290R84.8Confident78.1Confident12 Ų1246.5 Ų46.55%0.04523%0.229CC..  trans-92.312.7-178.4-72.2176.2164.9-144.620113.5F284 V287 P317 M393 L428 P430F284-R290 VanDerWaalsContact C-NH2 3.27Å; F284-R290 PolarHBondContact O-NE 2.8Å; F284-R290 PolarHBondContact O-NH2 2.93Å; V287-R290 HydrophobicContact CG1-CG 4.26Å; R290-P317 VanDerWaalsContact O-CD 3.22Å; R290-P317 WeakPolarHBondContact O-CD 3.44Å; R290-M393 VanDerWaalsContact CD-O 3.23Å; R290-M393 WeakPolarHBondContact CD-O 3.29Å; R290-M393 PolarHBondContact NH1-O 2.83Å; R290-L428 HydrophobicContact CB-CB 3.9Å; R290-L428 WeakPolarHBondContact O-CD1 3.43Å; R290-P430 VanDerWaalsContact CZ-CA 3.49Å; R290-P430 PolarHBondContact NH1-OXT 2.86Å
291G92.1Very high79.1Confident5 Ų551.1 Ų51.15%0.05225%0.251CS..  trans79.5-169.6-176.100000113.1L289 Q314 N315 L428L289-G291 VanDerWaalsContact C-N 3.31Å; G291-Q314 VanDerWaalsContact CA-O 3.3Å; G291-Q314 WeakPolarHBondContact CA-O 3.32Å; G291-N315 WeakPolarHBondContact CA-O 3.28Å; G291-N315 PolarHBondContact N-O 3.46Å; G291-L428 WeakPolarHBondContact O-CB 3.29Å; G291-L428 PolarHBondContact O-N 3.33Å
292E96.5Very high80.6Confident34 Ų3452.7 Ų52.716%0.15927%0.268CS..EExtended strand (participates in β ladder)trans-143.6152.9-177.659.3-170.7154.600111.8A313 Q314 W425 H426 Q427E292-A313 CarbonylContact O-C 3.52Å; E292-A313 WeakPolarHBondContact O-CA 3.49Å; E292-A313 WeakPolarHBondContact O-CB 3.39Å; E292-Q314 HydrophobicContact CG-CG 3.58Å; E292-Q314 PolarHBondContact N-O 2.95Å; E292-Q314 PolarHBondContact O-N 2.79Å; E292-Q314 PolarHBondContact OE1-NE2 2.93Å; E292-W425 HydrophobicContact CB-CE3 4.12Å; E292-W425 HydrophobicContact CG-CD2 4.45Å; E292-W425 HydrophobicContact CG-CE3 3.62Å; E292-W425 HydrophobicContact CG-CZ3 3.85Å; E292-H426 CarbonylContact C-O 3.52Å; E292-H426 WeakPolarHBondContact CA-O 3.4Å; E292-H426 WeakPolarHBondContact CB-O 3.29Å; E292-Q427 PolarHBondContact OE2-NE2 2.95Å
293V98.2Very high82.4Confident0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-123133.3-179.462.20000110.3V295 V310 A313 V381 V396 H426 L428V293-V295 HydrophobicContact CG1-CG2 3.99Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V293-V310 HydrophobicContact CG2-CG1 4.32Å; V293-A313 HydrophobicContact CB-CB 4.3Å; V293-A313 HydrophobicContact CG2-CB 4.35Å; V293-V381 HydrophobicContact CB-CG2 4.38Å; V293-V396 HydrophobicContact CG1-CG2 3.65Å; V293-H426 HydrophobicContact CG1-CB 4.35Å; V293-H426 PolarHBondContact N-O 2.71Å; V293-H426 PolarHBondContact O-N 2.96Å; V293-L428 HydrophobicContact CB-CD2 4.42Å; V293-L428 HydrophobicContact CG1-CD2 3.87Å
294L98.7Very high84.1Confident24 Ų2453.4 Ų53.413%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-90.8116.4174-178.361.4000109L311 K312 A423 W425L294-L311 HydrophobicContact CB-CB 4.29Å; L294-L311 HydrophobicContact CD2-CB 4Å; L294-L311 HydrophobicContact CD2-CD1 3.85Å; L294-L311 HydrophobicContact CG-CB 4.03Å; L294-L311 HydrophobicContact CG-CD1 3.91Å; L294-L311 HydrophobicContact CG-CG 4.41Å; L294-L311 PolarHBondContact O-N 2.74Å; L294-K312 HydrophobicContact CB-CG 4Å; L294-K312 HydrophobicContact CD2-CG 4.07Å; L294-K312 PolarHBondContact N-O 3.39Å; L294-A423 HydrophobicContact CD1-CB 4.32Å; L294-W425 HydrophobicContact CB-CD2 3.81Å; L294-W425 HydrophobicContact CB-CE3 3.67Å; L294-W425 HydrophobicContact CB-CH2 3.95Å; L294-W425 HydrophobicContact CB-CZ2 4.08Å; L294-W425 HydrophobicContact CB-CZ3 3.72Å; L294-W425 HydrophobicContact CD1-CD2 4.08Å; L294-W425 HydrophobicContact CD1-CG 4.05Å; L294-W425 HydrophobicContact CD2-CZ2 4.27Å; L294-W425 HydrophobicContact CG-CD2 4.42Å
295V98.6Very high86Confident0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-123.5139.1-175.6179.80000108.7V293 L297 V308 A309 I379 I398 H410 A423 H424V293-V295 HydrophobicContact CG1-CG2 3.99Å; V293-V295 HydrophobicContact CG2-CG2 3.95Å; V295-L297 HydrophobicContact CG1-CD2 4.43Å; V295-V308 HydrophobicContact CG1-CG1 4.1Å; V295-A309 CarbonylContact C-O 3.49Å; V295-A309 WeakPolarHBondContact CA-O 3.28Å; V295-I379 HydrophobicContact CB-CD1 4.12Å; V295-I379 HydrophobicContact CG1-CD1 3.5Å; V295-I379 VanDerWaalsContact CG1-CD1 3.5Å; V295-I379 HydrophobicContact CG2-CD1 3.52Å; V295-I398 HydrophobicContact CB-CD1 4.37Å; V295-I398 HydrophobicContact CG1-CD1 4.01Å; V295-H410 PolarHBondContact O-CE1 2.92Å; V295-H410 VanDerWaalsContact O-CE1 3.23Å; V295-A423 VanDerWaalsContact O-CA 3.31Å; V295-A423 WeakPolarHBondContact O-CA 3.21Å; V295-H424 PolarHBondContact N-O 3.14Å; V295-H424 VanDerWaalsContact N-O 3.07Å; V295-H424 PolarHBondContact O-N 3.28Å
296S98.3Very high88Confident3 Ų352.5 Ų52.52%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-116.3139.7170.7-1760000112.8V308 A309 I422S296-V308 CarbonylContact O-C 3.33Å; S296-V308 WeakPolarHBondContact O-CA 3.3Å; S296-A309 PolarHBondContact N-O 3.37Å; S296-A309 PolarHBondContact O-N 3.31Å; S296-I422 CarbonylContact C-O 3.34Å; S296-I422 WeakPolarHBondContact CA-O 3.38Å; S296-I422 WeakPolarHBondContact CB-O 3.04Å; S296-I422 PolarHBondContact OG-O 3.17Å
297L98.1Very high90Very high0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-116.3142.4174.1-60.1-175000111V295 I306 C307 V308 I398 W411 A414 I422V295-L297 HydrophobicContact CG1-CD2 4.43Å; L297-I306 HydrophobicContact CD2-CD1 4.12Å; L297-C307 WeakPolarHBondContact CA-O 3.2Å; L297-V308 HydrophobicContact CD2-CB 4.25Å; L297-V308 HydrophobicContact CD2-CG1 3.99Å; L297-V308 HydrophobicContact CD2-CG2 3.8Å; L297-I398 HydrophobicContact CD1-CG2 3.6Å; L297-W411 HydrophobicContact CD1-CE3 3.94Å; L297-A414 HydrophobicContact CB-CB 3.69Å; L297-A414 HydrophobicContact CD1-CB 4.43Å; L297-I422 PolarHBondContact N-O 3.39Å; L297-I422 PolarHBondContact O-N 3.27Å
298C97.2Very high91.7Very high12 Ų1245 Ų458%0.08123%0.231CC..EExtended strand (participates in β ladder)trans-145118.3171.9179.30000110.5C307 W419 Q421C298-C307 HydrophobicContact CB-CB 4.21Å; C298-C307 PolarHBondContact N-O 3.01Å; C298-C307 PolarHBondContact O-N 3.19Å; C298-W419 VanDerWaalsContact SG-C 3.52Å; C298-W419 PolarHBondContact SG-O 3.15Å; C298-Q421 HydrophobicContact CB-CG 3.93Å
299F94.8Very high93.4Very high18 Ų1835.5 Ų35.58%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-85.6129.4175.5-74-92.2000111.1I306 L364 W411 A414 K415 W419F299-I306 HydrophobicContact CD1-CB 4.46Å; F299-I306 HydrophobicContact CD1-CD1 4.5Å; F299-I306 HydrophobicContact CD1-CG1 4.46Å; F299-I306 HydrophobicContact CE1-CB 4.4Å; F299-I306 HydrophobicContact CE1-CD1 3.87Å; F299-I306 HydrophobicContact CE1-CG1 4.3Å; F299-I306 HydrophobicContact CE2-CD1 4.03Å; F299-I306 HydrophobicContact CZ-CD1 3.61Å; F299-I306 HydrophobicContact CZ-CG1 4.37Å; F299-L364 HydrophobicContact CD1-CD1 3.94Å; F299-L364 HydrophobicContact CE1-CD1 3.9Å; F299-W411 HydrophobicContact CE1-CH2 4.05Å; F299-W411 AromaticContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE2-CD2 4.43Å; F299-W411 AromaticContact CZ-CD2 3.86Å; F299-W411 HydrophobicContact CZ-CD2 3.86Å; F299-W411 AromaticContact CZ-CE2 3.6Å; F299-W411 AromaticContact CZ-CE3 3.97Å; F299-W411 HydrophobicContact CZ-CE3 3.97Å; F299-W411 AromaticContact CZ-CH2 3.66Å; F299-W411 HydrophobicContact CZ-CH2 3.66Å; F299-W411 AromaticContact CZ-CZ2 3.53Å; F299-W411 HydrophobicContact CZ-CZ2 3.53Å; F299-W411 AromaticContact CZ-CZ3 3.87Å; F299-W411 HydrophobicContact CZ-CZ3 3.87Å; F299-A414 VanDerWaalsContact CD2-C 3.48Å; F299-A414 HydrophobicContact CD2-CB 3.9Å; F299-A414 WeakPolarHBondContact CD2-O 3.2Å; F299-A414 HydrophobicContact CE2-CB 3.83Å; F299-K415 HydrophobicContact CD2-CB 4.23Å; F299-K415 HydrophobicContact CE2-CB 4.04Å; F299-K415 HydrophobicContact CZ-CB 4.45Å; F299-W419 PolarHBondContact O-N 3.5Å
300R91.6Very high94.6Very high94 Ų9429.1 Ų29.136%0.35516%0.158SC..EExtended strand (participates in β ladder)trans-108.382.4173.3-61.3-174.869169.82.3108.8A302 T303 N304 K305 W419R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.04Å; R300-T303 PolarHBondContact O-N 3.32Å; R300-N304 PolarHBondContact O-N 2.76Å; R300-K305 HydrophobicContact CB-CB 4.4Å; R300-K305 PolarHBondContact N-O 3.16Å; R300-K305 PolarHBondContact O-N 2.81Å; R300-K305 VanDerWaalsContact O-N 3.15Å; R300-W419 HydrophobicContact CB-CZ3 4.47Å; R300-W419 HydrophobicContact CG-CE3 4.48Å; R300-W419 HydrophobicContact CG-CZ3 4.33Å
301Q85.7Confident95.2Very high117 Ų11730.5 Ų30.555%0.54717%0.166SC..G310 helixtrans-57.4-41.1-173.8-69176.1-1200112.5T303 N304 P418Q301-T303 PolarHBondContact O-N 2.73Å; Q301-N304 PolarHBondContact O-N 3.44Å; Q301-N304 VanDerWaalsContact O-N 3.13Å; Q301-P418 HydrophobicContact CG-CB 4Å
302A87.4Confident95.5Very high85 Ų8534 Ų3470%0.70218%0.18SC*.G310 helixtrans-61-28-17900000114.1R300 W419R300-A302 VanDerWaalsContact C-N 3.3Å; R300-A302 PolarHBondContact O-N 3.04Å; A302-W419 HydrophobicContact CB-CH2 4.04Å; A302-W419 HydrophobicContact CB-CZ2 3.86Å
303T90.6Very high95.6Very high66 Ų6632.5 Ų32.541%0.40517%0.173SC..G310 helixtrans-111.35.2178.559.70000112.8R300 Q301 K305R300-T303 PolarHBondContact O-N 3.32Å; Q301-T303 PolarHBondContact O-N 2.73Å; T303-K305 VanDerWaalsContact C-N 3.32Å; T303-K305 VanDerWaalsContact O-CG 3.23Å; T303-K305 WeakPolarHBondContact O-CG 3.31Å; T303-K305 PolarHBondContact O-N 3.06Å; T303-K305 WeakPolarHBondContact OG1-CG 3.17Å
304N90.6Very high95.5Very high46 Ų4635.1 Ų35.125%0.24619%0.186CC..THydrogen-bonded Turntrans47.649.8-172.9-15828.9000113.4R300 Q301 L364 P365R300-N304 PolarHBondContact O-N 2.76Å; Q301-N304 PolarHBondContact O-N 3.44Å; Q301-N304 VanDerWaalsContact O-N 3.13Å; N304-L364 PolarHBondContact ND2-O 3.49Å; N304-L364 VanDerWaalsContact O-CB 3.31Å; N304-L364 WeakPolarHBondContact O-CB 3.19Å; N304-L364 PolarHBondContact O-N 2.92Å; N304-P365 PolarHBondContact ND2-O 3.2Å
305K94.5Very high95.1Very high64 Ų6439.2 Ų39.228%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-122.1154.2179.7-52.2-167-172.4-128.90111.6R300 T303 I361 F362 D363R300-K305 HydrophobicContact CB-CB 4.4Å; R300-K305 PolarHBondContact N-O 3.16Å; R300-K305 PolarHBondContact O-N 2.81Å; R300-K305 VanDerWaalsContact O-N 3.15Å; T303-K305 VanDerWaalsContact C-N 3.32Å; T303-K305 VanDerWaalsContact O-CG 3.23Å; T303-K305 WeakPolarHBondContact O-CG 3.31Å; T303-K305 PolarHBondContact O-N 3.06Å; T303-K305 WeakPolarHBondContact OG1-CG 3.17Å; K305-I361 HydrophobicContact CB-CG2 3.85Å; K305-I361 HydrophobicContact CD-CG2 3.51Å; K305-I361 HydrophobicContact CG-CG2 4.22Å; K305-F362 VanDerWaalsContact CA-O 3.26Å; K305-F362 WeakPolarHBondContact CA-O 3.2Å; K305-F362 WeakPolarHBondContact CB-O 3.1Å; K305-D363 WeakPolarHBondContact CD-OD1 3.27Å; K305-D363 WeakPolarHBondContact CE-OD1 3.15Å; K305-D363 IonicContact NZ-OD1 2.96Å; K305-D363 PolarHBondContact NZ-OD1 3.28Å
306I95.6Very high94.8Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-115.2131.3165.4-170.8172.3000109.4L297 F299 V308 I361 F362 L364 V377 W411L297-I306 HydrophobicContact CD2-CD1 4.12Å; F299-I306 HydrophobicContact CD1-CB 4.46Å; F299-I306 HydrophobicContact CD1-CD1 4.5Å; F299-I306 HydrophobicContact CD1-CG1 4.46Å; F299-I306 HydrophobicContact CE1-CB 4.4Å; F299-I306 HydrophobicContact CE1-CD1 3.87Å; F299-I306 HydrophobicContact CE1-CG1 4.3Å; F299-I306 HydrophobicContact CE2-CD1 4.03Å; F299-I306 HydrophobicContact CZ-CD1 3.61Å; F299-I306 HydrophobicContact CZ-CG1 4.37Å; I306-V308 HydrophobicContact CD1-CG2 4.35Å; I306-V308 HydrophobicContact CG1-CG2 4.22Å; I306-V308 HydrophobicContact CG2-CG2 4.45Å; I306-I361 WeakPolarHBondContact O-CA 3.4Å; I306-F362 HydrophobicContact CG2-CB 3.87Å; I306-F362 HydrophobicContact CG2-CD2 4.5Å; I306-F362 PolarHBondContact N-O 3.23Å; I306-F362 PolarHBondContact O-N 3.37Å; I306-L364 HydrophobicContact CB-CD1 4.21Å; I306-L364 HydrophobicContact CB-CD2 4.24Å; I306-L364 HydrophobicContact CB-CG 4.34Å; I306-L364 HydrophobicContact CG2-CD2 3.69Å; I306-L364 HydrophobicContact CG2-CG 4.18Å; I306-V377 HydrophobicContact CD1-CG2 4.36Å; I306-W411 HydrophobicContact CD1-CE3 4.32Å; I306-W411 HydrophobicContact CD1-CH2 3.84Å; I306-W411 HydrophobicContact CD1-CZ3 3.49Å; I306-W411 VanDerWaalsContact CD1-CZ3 3.49Å
307C97.4Very high94Very high24 Ų2439.9 Ų39.916%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-95.8124.4167.2-173.90000108.4L297 C298 F360 I361L297-C307 WeakPolarHBondContact CA-O 3.2Å; C298-C307 HydrophobicContact CB-CB 4.21Å; C298-C307 PolarHBondContact N-O 3.01Å; C298-C307 PolarHBondContact O-N 3.19Å; C307-F360 CarbonylContact C-O 3.53Å; C307-F360 WeakPolarHBondContact CA-O 3.18Å; C307-I361 HydrophobicContact CB-CG1 4.48Å
308V98.3Very high92.8Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-114.8113.9176.1-175.20000107.6V295 S296 L297 I306 I331 F360 F362 V377 I379V295-V308 HydrophobicContact CG1-CG1 4.1Å; S296-V308 CarbonylContact O-C 3.33Å; S296-V308 WeakPolarHBondContact O-CA 3.3Å; L297-V308 HydrophobicContact CD2-CB 4.25Å; L297-V308 HydrophobicContact CD2-CG1 3.99Å; L297-V308 HydrophobicContact CD2-CG2 3.8Å; I306-V308 HydrophobicContact CD1-CG2 4.35Å; I306-V308 HydrophobicContact CG1-CG2 4.22Å; I306-V308 HydrophobicContact CG2-CG2 4.45Å; V308-I331 HydrophobicContact CG1-CD1 4.48Å; V308-I331 HydrophobicContact CG1-CG2 4.11Å; V308-F360 PolarHBondContact N-O 3.5Å; V308-F360 PolarHBondContact O-N 3.35Å; V308-F362 HydrophobicContact CB-CE2 4.35Å; V308-F362 HydrophobicContact CG2-CD2 4.05Å; V308-F362 HydrophobicContact CG2-CE2 4.13Å; V308-V377 HydrophobicContact CG1-CG1 4.27Å; V308-V377 HydrophobicContact CG2-CG1 4.23Å; V308-V377 HydrophobicContact CG2-CG2 4.19Å; V308-I379 HydrophobicContact CG1-CD1 4.39Å
309A98.4Very high90.9Very high7 Ų743.9 Ų43.96%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-104.7126.3175.600000111.1V295 S296 L311 E358 A359V295-A309 CarbonylContact C-O 3.49Å; V295-A309 WeakPolarHBondContact CA-O 3.28Å; S296-A309 PolarHBondContact N-O 3.37Å; S296-A309 PolarHBondContact O-N 3.31Å; A309-L311 HydrophobicContact CB-CD2 4.02Å; A309-E358 CarbonylContact C-O 3.4Å; A309-E358 WeakPolarHBondContact CA-O 3.21Å; A309-A359 HydrophobicContact CB-CB 3.98Å
310V98.6Very high89Confident0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-94.2111.1169.9-179.30000106.7V293 V329 I331 T345 Y356 N357 E358V293-V310 HydrophobicContact CG2-CG1 4.32Å; V310-V329 HydrophobicContact CG1-CB 4.18Å; V310-V329 HydrophobicContact CG1-CG1 4.29Å; V310-V329 HydrophobicContact CG1-CG2 3.88Å; V310-V329 HydrophobicContact CG2-CB 4.45Å; V310-V329 HydrophobicContact CG2-CG1 4Å; V310-I331 HydrophobicContact CG2-CD1 3.59Å; V310-I331 HydrophobicContact CG2-CG1 4.06Å; V310-T345 HydrophobicContact CB-CG2 4.05Å; V310-T345 HydrophobicContact CG1-CG2 4.22Å; V310-T345 HydrophobicContact CG2-CG2 4.27Å; V310-Y356 HydrophobicContact CG1-CD2 3.63Å; V310-Y356 HydrophobicContact CG1-CE2 4.24Å; V310-Y356 HydrophobicContact CG1-CG 4.08Å; V310-Y356 WeakPolarHBondContact O-CB 3.35Å; V310-N357 PolarHBondContact O-N 2.88Å; V310-N357 VanDerWaalsContact O-N 3.17Å; V310-E358 PolarHBondContact N-O 3.2Å; V310-E358 PolarHBondContact O-N 3.48Å; V310-E358 VanDerWaalsContact O-N 3.07Å
311L98.5Very high86.9Confident41 Ų4142.3 Ų42.322%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-89.7-62.6-172.4-59.3-175.7000110.5L294 A309 Y356 N357 A423L294-L311 HydrophobicContact CB-CB 4.29Å; L294-L311 HydrophobicContact CD2-CB 4Å; L294-L311 HydrophobicContact CD2-CD1 3.85Å; L294-L311 HydrophobicContact CG-CB 4.03Å; L294-L311 HydrophobicContact CG-CD1 3.91Å; L294-L311 HydrophobicContact CG-CG 4.41Å; L294-L311 PolarHBondContact O-N 2.74Å; A309-L311 HydrophobicContact CB-CD2 4.02Å; L311-Y356 PolarHBondContact O-N 3.1Å; L311-N357 PolarHBondContact O-N 3.39Å; L311-N357 PolarHBondContact O-OD1 3.26Å; L311-A423 HydrophobicContact CD1-CB 4.33Å
312K98.5Very high85.3Confident79 Ų7937.8 Ų37.834%0.34321%0.211SC..EExtended strand (participates in β ladder)trans-157.6164.5-179.955.3173.6174.7166.70111.1L294 P354 V355 W425L294-K312 HydrophobicContact CB-CG 4Å; L294-K312 HydrophobicContact CD2-CG 4.07Å; L294-K312 PolarHBondContact N-O 3.39Å; K312-P354 CarbonylContact C-O 3.53Å; K312-P354 WeakPolarHBondContact CA-O 3.43Å; K312-P354 VanDerWaalsContact CB-O 3.3Å; K312-P354 WeakPolarHBondContact CB-O 3.4Å; K312-V355 HydrophobicContact CB-CG2 4.23Å; K312-W425 HydrophobicContact CD-CH2 3.93Å; K312-W425 HydrophobicContact CD-CZ2 4.21Å; K312-W425 HydrophobicContact CG-CH2 3.82Å; K312-W425 HydrophobicContact CG-CZ2 4.36Å
313A98Very high84Confident2 Ų235.7 Ų35.72%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-126.9162.2165.600000110E292 V293 L316 S353 P354E292-A313 CarbonylContact O-C 3.52Å; E292-A313 WeakPolarHBondContact O-CA 3.49Å; E292-A313 WeakPolarHBondContact O-CB 3.39Å; V293-A313 HydrophobicContact CB-CB 4.3Å; V293-A313 HydrophobicContact CG2-CB 4.35Å; A313-L316 HydrophobicContact CB-CD1 3.99Å; A313-L316 HydrophobicContact CB-CD2 3.93Å; A313-L316 HydrophobicContact CB-CG 4.03Å; A313-S353 CarbonylContact O-C 3.51Å; A313-S353 WeakPolarHBondContact O-CA 3.24Å; A313-P354 HydrophobicContact CB-CG 3.9Å; A313-P354 PolarHBondContact N-O 2.87Å
314Q95.2Very high83Confident56 Ų5637.7 Ų37.726%0.26220%0.199SC..EExtended strand (participates in β ladder)trans-147.7156.6176.866.2-172.321.200111.8G291 E292 L316 W425G291-Q314 VanDerWaalsContact CA-O 3.3Å; G291-Q314 WeakPolarHBondContact CA-O 3.32Å; E292-Q314 HydrophobicContact CG-CG 3.58Å; E292-Q314 PolarHBondContact N-O 2.95Å; E292-Q314 PolarHBondContact O-N 2.79Å; E292-Q314 PolarHBondContact OE1-NE2 2.93Å; Q314-L316 PolarHBondContact O-N 3.44Å; Q314-W425 HydrophobicContact CB-CH2 4.42Å; Q314-W425 VanDerWaalsContact CD-CH2 3.46Å; Q314-W425 HydrophobicContact CG-CH2 3.78Å; Q314-W425 HydrophobicContact CG-CZ3 3.79Å
315N91.3Very high82.7Confident109 Ų10935.5 Ų35.558%0.58319%0.188SC*.SBendtrans55.932.9-178.8-54.2-39000112.5G291 V352G291-N315 WeakPolarHBondContact CA-O 3.28Å; G291-N315 PolarHBondContact N-O 3.46Å; N315-V352 PolarHBondContact N-O 2.81Å
316L91.4Very high82.5Confident6 Ų633.4 Ų33.43%0.03118%0.18CC..  trans-64.4139176.4-64.9-176.1000109.7A313 Q314 P327 V352 P354 V381 M393 L428A313-L316 HydrophobicContact CB-CD1 3.99Å; A313-L316 HydrophobicContact CB-CD2 3.93Å; A313-L316 HydrophobicContact CB-CG 4.03Å; Q314-L316 PolarHBondContact O-N 3.44Å; L316-P327 HydrophobicContact CD1-CB 3.62Å; L316-P327 HydrophobicContact CD1-CG 3.88Å; L316-V352 HydrophobicContact CB-CB 4.38Å; L316-V352 WeakPolarHBondContact CB-O 3.47Å; L316-V352 WeakPolarHBondContact CG-O 2.95Å; L316-V352 PolarHBondContact N-O 3.44Å; L316-V352 VanDerWaalsContact N-O 3.1Å; L316-P354 HydrophobicContact CD1-CG 3.76Å; L316-V381 HydrophobicContact CD1-CG1 3.99Å; L316-V381 HydrophobicContact CD2-CG1 4Å; L316-M393 HydrophobicContact CB-CE 3.7Å; L316-M393 HydrophobicContact CD1-CE 4.32Å; L316-M393 HydrophobicContact CD1-SD 4.21Å; L316-L428 HydrophobicContact CD2-CD1 3.41Å; L316-L428 VanDerWaalsContact CD2-CD1 3.41Å
317P82.2Confident82.4Confident12 Ų1233.4 Ų33.48%0.07818%0.18CC..  trans-70.4138.9-176.931.9-38.7000110V287 R290 F319 M393V287-P317 HydrophobicContact CG1-CB 4.16Å; R290-P317 VanDerWaalsContact O-CD 3.22Å; R290-P317 WeakPolarHBondContact O-CD 3.44Å; P317-F319 HydrophobicContact CB-CD2 4.28Å; P317-F319 HydrophobicContact CB-CE2 3.43Å; P317-F319 VanDerWaalsContact CB-CE2 3.43Å; P317-F319 HydrophobicContact CB-CZ 3.75Å; P317-F319 HydrophobicContact CG-CE2 3.75Å; P317-F319 HydrophobicContact CG-CZ 4.39Å; P317-M393 HydrophobicContact CG-CB 4.4Å; P317-M393 HydrophobicContact CG-CE 4.13Å; P317-M393 WeakPolarHBondContact O-CE 3.39Å
318T73.2Confident82.4Confident54 Ų5432.8 Ų32.833%0.33117%0.174SC..  trans-110121.2170.3460000109.3A325 V352T318-A325 HydrophobicContact CG2-CB 4.1Å; T318-V352 HydrophobicContact CG2-CG1 3.08Å
319F58Low82.4Confident42 Ų4232.8 Ų32.818%0.18417%0.174CC..  trans-114.3-14.3169.6-54.5-79.6000111.6K283 F284 V287 P317 L321K283-F319 HydrophobicContact CB-CD1 3.82Å; K283-F319 HydrophobicContact CB-CE1 4.18Å; K283-F319 HydrophobicContact CB-CG 4.29Å; K283-F319 WeakPolarHBondContact O-CE1 3.29Å; F284-F319 HydrophobicContact CB-CE2 4.47Å; F284-F319 AromaticContact CD1-CD2 3.69Å; F284-F319 HydrophobicContact CD1-CD2 3.69Å; F284-F319 AromaticContact CD1-CE2 3.14Å; F284-F319 HydrophobicContact CD1-CE2 3.14Å; F284-F319 AromaticContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD1-CZ 3.95Å; F284-F319 HydrophobicContact CD2-CD2 4.23Å; F284-F319 HydrophobicContact CD2-CE2 4.23Å; F284-F319 AromaticContact CE1-CD2 3.25Å; F284-F319 HydrophobicContact CE1-CD2 3.25Å; F284-F319 AromaticContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CE2 3.17Å; F284-F319 HydrophobicContact CE1-CG 4.47Å; F284-F319 HydrophobicContact CE1-CZ 4.34Å; F284-F319 AromaticContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CD2 3.83Å; F284-F319 HydrophobicContact CE2-CE2 4.23Å; F284-F319 HydrophobicContact CE2-CG 4.42Å; F284-F319 HydrophobicContact CG-CD2 4.15Å; F284-F319 AromaticContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CE2 3.71Å; F284-F319 HydrophobicContact CG-CZ 4.19Å; F284-F319 AromaticContact CZ-CD2 3.33Å; F284-F319 HydrophobicContact CZ-CD2 3.33Å; F284-F319 AromaticContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CE2 3.75Å; F284-F319 HydrophobicContact CZ-CG 4.25Å; V287-F319 HydrophobicContact CB-CE1 4.36Å; V287-F319 HydrophobicContact CB-CZ 3.82Å; V287-F319 HydrophobicContact CG1-CZ 4.31Å; V287-F319 HydrophobicContact CG2-CE1 3.27Å; V287-F319 HydrophobicContact CG2-CZ 3.2Å; P317-F319 HydrophobicContact CB-CD2 4.28Å; P317-F319 HydrophobicContact CB-CE2 3.43Å; P317-F319 VanDerWaalsContact CB-CE2 3.43Å; P317-F319 HydrophobicContact CB-CZ 3.75Å; P317-F319 HydrophobicContact CG-CE2 3.75Å; P317-F319 HydrophobicContact CG-CZ 4.39Å; F319-L321 PolarHBondContact O-N 2.89Å
320D53.6Low82.4Confident13 Ų1332.7 Ų32.77%0.0717%0.172CC..SBendtrans-57.2120.9163.2-110.9-0.8000108.9K200 T322 G323 Y324K200-D320 IonicContact NZ-OD1 2.68Å; K200-D320 IonicContact NZ-OD2 3.36Å; K200-D320 PolarHBondContact NZ-OD2 2.83Å; D320-T322 PolarHBondContact O-N 3.33Å; D320-G323 PolarHBondContact O-N 2.84Å; D320-Y324 WeakPolarHBondContact CB-O 3.44Å
321L48.2Very low82.4Confident66 Ų6632.7 Ų32.735%0.34617%0.172SC..THydrogen-bonded Turntrans-65.6-9-171.1-66.1147.9000113.6L197 H237 L256 F319L197-L321 HydrophobicContact CD1-CB 3.43Å; L197-L321 VanDerWaalsContact CD1-CB 3.43Å; L197-L321 HydrophobicContact CD1-CD1 3.41Å; L197-L321 VanDerWaalsContact CD1-CD1 3.41Å; L197-L321 HydrophobicContact CD1-CG 3.99Å; L197-L321 HydrophobicContact CD2-CB 4.26Å; L197-L321 HydrophobicContact CG-CB 4.34Å; H237-L321 HydrophobicContact CB-CD1 4.33Å; L256-L321 HydrophobicContact CD1-CD1 4.14Å; L256-L321 HydrophobicContact CD1-CD2 3.29Å; L256-L321 HydrophobicContact CD1-CG 4.27Å; L256-L321 HydrophobicContact CD2-CD1 3.26Å; L256-L321 HydrophobicContact CD2-CD2 3.73Å; L256-L321 HydrophobicContact CD2-CG 4.06Å; L256-L321 HydrophobicContact CG-CD1 4.23Å; L256-L321 HydrophobicContact CG-CD2 4.13Å; F319-L321 PolarHBondContact O-N 2.89Å
322T51.9Low82.3Confident21 Ų2131 Ų3113%0.12916%0.163CC..THydrogen-bonded Turntrans-77.1-7.9169.648.60000113.7L197 P198 K200 D320 Y324L197-T322 HydrophobicContact CD2-CG2 4.02Å; P198-T322 VanDerWaalsContact O-CG2 3.26Å; P198-T322 WeakPolarHBondContact O-CG2 3.37Å; K200-T322 HydrophobicContact CD-CG2 4.08Å; K200-T322 VanDerWaalsContact CE-CG2 3.43Å; K200-T322 WeakPolarHBondContact CE-OG1 3.15Å; K200-T322 HydrophobicContact CG-CG2 3.75Å; D320-T322 PolarHBondContact O-N 3.33Å; T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 WeakPolarHBondContact O-CD2 3.24Å; T322-Y324 WeakPolarHBondContact O-CE2 3.19Å
323G61Low82.2Confident42 Ų4227.2 Ų27.243%0.43315%0.147SC..SBendtrans76.911.4-175.700000114.2D320D320-G323 PolarHBondContact O-N 2.84Å
324Y67.9Low82.1Confident108 Ų10827.7 Ų27.742%0.42415%0.149SC..  trans-133.6148.3-178.8-58.1-78.4000110D320 T322 R350D320-Y324 WeakPolarHBondContact CB-O 3.44Å; T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 WeakPolarHBondContact O-CD2 3.24Å; T322-Y324 WeakPolarHBondContact O-CE2 3.19Å; Y324-R350 HydrophobicContact CD1-CB 4.23Å; Y324-R350 VanDerWaalsContact CD1-O 3.25Å; Y324-R350 WeakPolarHBondContact CD1-O 3.18Å; Y324-R350 HydrophobicContact CG-CB 3.99Å
325A84.5Confident81.9Confident0 Ų026.9 Ų26.90%015%0.146CC..  trans-109.8165170.800000109.7T318 P327 R350 T351 M393T318-A325 HydrophobicContact CG2-CB 4.1Å; A325-P327 WeakPolarHBondContact O-CD 3.38Å; A325-R350 CarbonylContact O-C 3.59Å; A325-R350 WeakPolarHBondContact O-CA 3.3Å; A325-R350 PolarHBondContact O-N 3.24Å; A325-T351 PolarHBondContact O-N 3.36Å; A325-M393 HydrophobicContact CB-CE 3.8Å
326D90.1Very high81.8Confident20 Ų2026.6 Ų26.611%0.10714%0.144CC..  trans-111.665.9170.7-67.1-30.7000109.7V347 K348 K349 R350 D383 W384D326-V347 HydrophobicContact CB-CG1 3.99Å; D326-V347 WeakPolarHBondContact O-CG1 3.29Å; D326-K348 CarbonylContact C-O 3.55Å; D326-K348 VanDerWaalsContact CA-O 3.31Å; D326-K348 WeakPolarHBondContact CA-O 2.94Å; D326-K349 WeakPolarHBondContact OD1-CA 3.45Å; D326-R350 PolarHBondContact OD1-N 3.43Å; D326-D383 PolarHBondContact N-OD1 2.94Å; D326-W384 HydrophobicContact CB-CB 4.14Å; D326-W384 HydrophobicContact CB-CE3 4.28Å; D326-W384 WeakPolarHBondContact CB-O 3.34Å; D326-W384 VanDerWaalsContact O-CB 3.28Å; D326-W384 WeakPolarHBondContact O-CB 3.33Å; D326-W384 PolarHBondContact O-N 2.68Å
327P94.8Very high81.7Confident0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-71.8140.6-167.130-40.8000114.4L316 A325 K348 T351 P354 Y356 M382 M393L316-P327 HydrophobicContact CD1-CB 3.62Å; L316-P327 HydrophobicContact CD1-CG 3.88Å; A325-P327 WeakPolarHBondContact O-CD 3.38Å; P327-K348 WeakPolarHBondContact CD-O 3.22Å; P327-K348 PolarHBondContact O-N 3.1Å; P327-T351 WeakPolarHBondContact CD-O 3.26Å; P327-T351 HydrophobicContact CG-CG2 3.97Å; P327-T351 WeakPolarHBondContact CG-O 3.3Å; P327-P354 HydrophobicContact CB-CG 4.19Å; P327-P354 HydrophobicContact CG-CB 3.86Å; P327-P354 HydrophobicContact CG-CG 3.63Å; P327-Y356 WeakPolarHBondContact CB-OH 3.25Å; P327-Y356 PolarHBondContact O-OH 3.02Å; P327-M382 CarbonylContact C-O 3.42Å; P327-M382 VanDerWaalsContact CA-O 3.22Å; P327-M382 WeakPolarHBondContact CA-O 3.27Å; P327-M393 HydrophobicContact CB-SD 4.09Å
328Y97.1Very high82.1Confident10 Ų1033.9 Ų33.94%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-139.1163.7166.775-77.5000110.6K330 V347 M382 W384 N390Y328-K330 HydrophobicContact CD2-CG 4.4Å; Y328-K330 HydrophobicContact CE2-CD 4.26Å; Y328-K330 HydrophobicContact CE2-CG 3.72Å; Y328-K330 WeakPolarHBondContact OH-CE 3.11Å; Y328-V347 HydrophobicContact CD1-CG2 4.28Å; Y328-V347 HydrophobicContact CG-CG2 4.2Å; Y328-M382 HydrophobicContact CD1-CB 3.63Å; Y328-M382 HydrophobicContact CD2-CB 4.32Å; Y328-M382 HydrophobicContact CE1-CB 3.21Å; Y328-M382 HydrophobicContact CE1-CG 4.07Å; Y328-M382 HydrophobicContact CE2-CB 3.95Å; Y328-M382 HydrophobicContact CE2-CG 3.95Å; Y328-M382 HydrophobicContact CG-CB 4.17Å; Y328-M382 PolarHBondContact N-O 2.97Å; Y328-M382 PolarHBondContact O-N 2.82Å; Y328-W384 HydrophobicContact CD1-CB 3.78Å; Y328-W384 HydrophobicContact CE1-CB 3.94Å; Y328-N390 HydrophobicContact CE1-CB 4.31Å; Y328-N390 PolarHBondContact OH-ND2 3.02Å
329V98.2Very high83.1Confident0 Ų035.5 Ų35.50%020%0.198CC..EExtended strand (participates in β ladder)trans-121125.8-174.5-176.10000110.3V310 I331 K344 T345 Y356 I379 L380 V381V310-V329 HydrophobicContact CG1-CB 4.18Å; V310-V329 HydrophobicContact CG1-CG1 4.29Å; V310-V329 HydrophobicContact CG1-CG2 3.88Å; V310-V329 HydrophobicContact CG2-CB 4.45Å; V310-V329 HydrophobicContact CG2-CG1 4Å; V329-I331 HydrophobicContact CG1-CG1 4.26Å; V329-K344 CarbonylContact O-C 3.54Å; V329-K344 WeakPolarHBondContact O-CA 3.31Å; V329-T345 HydrophobicContact CB-CG2 3.84Å; V329-T345 HydrophobicContact CG2-CG2 4.49Å; V329-T345 PolarHBondContact N-OG1 3.23Å; V329-T345 PolarHBondContact O-N 2.65Å; V329-Y356 HydrophobicContact CG2-CD2 4.46Å; V329-Y356 HydrophobicContact CG2-CE1 4.47Å; V329-Y356 HydrophobicContact CG2-CE2 3.8Å; V329-I379 HydrophobicContact CG1-CG2 3.35Å; V329-L380 CarbonylContact C-O 3.59Å; V329-L380 WeakPolarHBondContact CA-O 3.11Å; V329-V381 HydrophobicContact CG2-CG2 4.11Å
330K97.9Very high84.8Confident6 Ų637.5 Ų37.53%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-94.2134.8167.3-68.6178.6171.8178.20108.8E131 D132 Y328 Y332 I379 L380 M382E131-K330 IonicContact OE2-NZ 2.79Å; E131-K330 PolarHBondContact OE2-NZ 2.72Å; D132-K330 IonicContact OD1-NZ 3.91Å; D132-K330 PolarHBondContact OD1-NZ 2.83Å; Y328-K330 HydrophobicContact CD2-CG 4.4Å; Y328-K330 HydrophobicContact CE2-CD 4.26Å; Y328-K330 HydrophobicContact CE2-CG 3.72Å; Y328-K330 WeakPolarHBondContact OH-CE 3.11Å; K330-Y332 HydrophobicContact CB-CE2 3.79Å; K330-Y332 HydrophobicContact CD-CE2 4.36Å; K330-I379 WeakPolarHBondContact O-CA 2.87Å; K330-L380 HydrophobicContact CB-CB 4.4Å; K330-L380 PolarHBondContact N-O 2.91Å; K330-L380 PolarHBondContact O-N 3.36Å; K330-M382 HydrophobicContact CD-CG 4.16Å; K330-M382 HydrophobicContact CD-SD 4.45Å; K330-M382 HydrophobicContact CG-CG 4.15Å
331I98.2Very high86.8Confident0 Ų038.6 Ų38.60%022%0.22CC..EExtended strand (participates in β ladder)trans-121.9123.1179.5-50161.7000107.7V308 V310 V329 K342 K343 F360 F362 V377 E378 I379V308-I331 HydrophobicContact CG1-CD1 4.48Å; V308-I331 HydrophobicContact CG1-CG2 4.11Å; V310-I331 HydrophobicContact CG2-CD1 3.59Å; V310-I331 HydrophobicContact CG2-CG1 4.06Å; V329-I331 HydrophobicContact CG1-CG1 4.26Å; I331-K342 CarbonylContact O-C 3.56Å; I331-K342 VanDerWaalsContact O-CA 3.32Å; I331-K342 WeakPolarHBondContact O-CA 3.49Å; I331-K343 PolarHBondContact N-O 2.83Å; I331-K343 PolarHBondContact O-N 3.29Å; I331-F360 HydrophobicContact CD1-CB 4.41Å; I331-F360 HydrophobicContact CD1-CD2 3.2Å; I331-F360 HydrophobicContact CD1-CE2 3.61Å; I331-F360 HydrophobicContact CD1-CG 3.97Å; I331-F362 HydrophobicContact CB-CE2 4.41Å; I331-F362 HydrophobicContact CB-CZ 4.07Å; I331-F362 HydrophobicContact CG2-CE2 3.71Å; I331-F362 HydrophobicContact CG2-CZ 3.71Å; I331-V377 HydrophobicContact CG2-CG1 3.81Å; I331-E378 CarbonylContact C-O 3.56Å; I331-E378 WeakPolarHBondContact CA-O 3.44Å; I331-I379 HydrophobicContact CG2-CG1 4.34Å
332Y97.5Very high89.1Confident5 Ų538.8 Ų38.82%0.0222%0.218CC..EExtended strand (participates in β ladder)trans-113.6136.9177.2-63.6-87.8000110.4D132 K330 L334 K339 A341 K342 V377 E378 L380D132-Y332 PolarHBondContact OD1-OH 2.88Å; D132-Y332 WeakPolarHBondContact OD2-CE1 3.23Å; D132-Y332 PolarHBondContact OD2-OH 2.91Å; K330-Y332 HydrophobicContact CB-CE2 3.79Å; K330-Y332 HydrophobicContact CD-CE2 4.36Å; Y332-L334 WeakPolarHBondContact O-CD1 3.4Å; Y332-K339 HydrophobicContact CD1-CB 4.21Å; Y332-K339 HydrophobicContact CD1-CD 3.57Å; Y332-K339 HydrophobicContact CD1-CG 4Å; Y332-K339 HydrophobicContact CE1-CD 3.78Å; Y332-K339 HydrophobicContact CG-CD 3.98Å; Y332-K339 HydrophobicContact CG-CG 4.31Å; Y332-A341 VanDerWaalsContact CA-O 3.31Å; Y332-A341 WeakPolarHBondContact CA-O 3.41Å; Y332-K342 HydrophobicContact CD1-CB 3.93Å; Y332-K342 HydrophobicContact CD1-CD 4.41Å; Y332-K342 HydrophobicContact CD1-CG 3.95Å; Y332-K342 HydrophobicContact CE1-CB 3.9Å; Y332-K342 HydrophobicContact CE1-CD 3.55Å; Y332-K342 HydrophobicContact CE1-CG 3.55Å; Y332-K342 WeakPolarHBondContact OH-CE 3.23Å; Y332-K342 PolarHBondContact OH-NZ 2.81Å; Y332-V377 CarbonylContact O-C 3.58Å; Y332-V377 VanDerWaalsContact O-CA 3.32Å; Y332-V377 WeakPolarHBondContact O-CA 3.26Å; Y332-E378 PolarHBondContact N-O 3.11Å; Y332-E378 PolarHBondContact O-N 2.89Å; Y332-L380 HydrophobicContact CD2-CD1 3.68Å; Y332-L380 HydrophobicContact CE2-CD1 3.72Å
333L96.4Very high91.3Very high0 Ų042.3 Ų42.30%023%0.232CC..EExtended strand (participates in β ladder)trans-93.8130.5161.7-175.668.1000108.1I340 A341 F362 D363 L364 I375 V377L333-I340 HydrophobicContact CB-CG1 4.14Å; L333-I340 HydrophobicContact CD2-CD1 3.53Å; L333-I340 HydrophobicContact CD2-CG1 4.07Å; L333-I340 HydrophobicContact CG-CD1 3.9Å; L333-I340 HydrophobicContact CG-CG1 3.97Å; L333-I340 VanDerWaalsContact O-CG1 3.26Å; L333-I340 WeakPolarHBondContact O-CG1 3.29Å; L333-I340 PolarHBondContact O-N 3.01Å; L333-A341 HydrophobicContact CB-CB 4.2Å; L333-A341 PolarHBondContact N-O 2.86Å; L333-A341 PolarHBondContact O-N 2.82Å; L333-F362 HydrophobicContact CB-CD1 3.89Å; L333-F362 HydrophobicContact CB-CE1 4.26Å; L333-F362 HydrophobicContact CB-CG 4.33Å; L333-F362 HydrophobicContact CD2-CB 4Å; L333-D363 WeakPolarHBondContact CD2-O 3.38Å; L333-L364 HydrophobicContact CD1-CD2 4.11Å; L333-L364 HydrophobicContact CD2-CD2 4.2Å; L333-I375 HydrophobicContact CD1-CG2 3.71Å; L333-V377 HydrophobicContact CD1-CG2 4.1Å
334L94.8Very high93Very high11 Ų1147 Ų476%0.05824%0.241CC..EExtended strand (participates in β ladder)trans-120.9147.4-178.5-59.889.7000111Y332 I338 K339 I375 S376 E378Y332-L334 WeakPolarHBondContact O-CD1 3.4Å; L334-I338 CarbonylContact C-O 3.56Å; L334-I338 WeakPolarHBondContact CA-O 3.12Å; L334-K339 HydrophobicContact CD2-CG 3.95Å; L334-K339 HydrophobicContact CG-CG 4.03Å; L334-I375 VanDerWaalsContact O-CA 3.31Å; L334-I375 WeakPolarHBondContact O-CA 3.43Å; L334-S376 PolarHBondContact N-O 3.23Å; L334-S376 PolarHBondContact O-N 2.89Å; L334-E378 HydrophobicContact CD1-CB 3.39Å
335I91.8Very high94.5Very high39 Ų3942.3 Ų42.320%0.222%0.223CC..EExtended strand (participates in β ladder)trans-126.2119.5166.3-58.2173000107.7G337 I338 I340 P365 V371 K374I335-G337 PolarHBondContact O-N 2.7Å; I335-I338 PolarHBondContact N-O 3.25Å; I335-I338 WeakPolarHBondContact O-CB 3.22Å; I335-I338 PolarHBondContact O-N 2.96Å; I335-I340 HydrophobicContact CD1-CD1 3.5Å; I335-I340 HydrophobicContact CD1-CG1 4.27Å; I335-I340 HydrophobicContact CD1-CG2 4.1Å; I335-I340 HydrophobicContact CG1-CD1 3.78Å; I335-I340 HydrophobicContact CG1-CG1 4.18Å; I335-I340 HydrophobicContact CG1-CG2 4.29Å; I335-P365 HydrophobicContact CD1-CB 4.45Å; I335-P365 HydrophobicContact CD1-CG 3.27Å; I335-P365 HydrophobicContact CG1-CG 4.19Å; I335-V371 HydrophobicContact CG2-CG1 3.86Å; I335-K374 CarbonylContact C-O 3.53Å; I335-K374 WeakPolarHBondContact CA-O 3.5Å
336N89.3Confident95.1Very high103 Ų10348.6 Ų48.655%0.55125%0.252SS*.THydrogen-bonded Turntrans53.838.7179-161.349.3000112.4I338 K374N336-I338 VanDerWaalsContact C-N 3.26Å; N336-I338 PolarHBondContact O-N 2.84Å; N336-K374 HydrophobicContact CB-CB 4.19Å; N336-K374 HydrophobicContact CB-CD 4.15Å; N336-K374 PolarHBondContact N-O 2.93Å
337G88.8Confident95.4Very high59 Ų5950.1 Ų50.161%0.60826%0.262SS*.THydrogen-bonded Turntrans78.1-1.7-176.800000115.5I335I335-G337 PolarHBondContact O-N 2.7Å
338I91.4Very high95.5Very high113 Ų11353.5 Ų53.558%0.57928%0.277SS*.EExtended strand (participates in β ladder)trans-93.4122.5177.6-55.6176.8000108.9L334 I335 N336 I340L334-I338 CarbonylContact C-O 3.56Å; L334-I338 WeakPolarHBondContact CA-O 3.12Å; I335-I338 PolarHBondContact N-O 3.25Å; I335-I338 WeakPolarHBondContact O-CB 3.22Å; I335-I338 PolarHBondContact O-N 2.96Å; N336-I338 VanDerWaalsContact C-N 3.26Å; N336-I338 PolarHBondContact O-N 2.84Å; I338-I340 PolarHBondContact O-N 3.32Å
339K94Very high95.2Very high87 Ų8760.4 Ų60.438%0.37831%0.307SS..EExtended strand (participates in β ladder)trans-68.5121.3175-64.5175.9175-156.30109.7Y332 L334 E378Y332-K339 HydrophobicContact CD1-CB 4.21Å; Y332-K339 HydrophobicContact CD1-CD 3.57Å; Y332-K339 HydrophobicContact CD1-CG 4Å; Y332-K339 HydrophobicContact CE1-CD 3.78Å; Y332-K339 HydrophobicContact CG-CD 3.98Å; Y332-K339 HydrophobicContact CG-CG 4.31Å; L334-K339 HydrophobicContact CD2-CG 3.95Å; L334-K339 HydrophobicContact CG-CG 4.03Å; K339-E378 WeakPolarHBondContact CE-OE2 2.99Å; K339-E378 IonicContact NZ-OE2 2.76Å; K339-E378 PolarHBondContact NZ-OE2 3.34Å
340I92.7Very high94.6Very high84 Ų8467.8 Ų67.843%0.43134%0.335SS..EExtended strand (participates in β ladder)trans-112.4-21.5-178.757.3151.4000113.6L333 I335 I338L333-I340 HydrophobicContact CB-CG1 4.14Å; L333-I340 HydrophobicContact CD2-CD1 3.53Å; L333-I340 HydrophobicContact CD2-CG1 4.07Å; L333-I340 HydrophobicContact CG-CD1 3.9Å; L333-I340 HydrophobicContact CG-CG1 3.97Å; L333-I340 VanDerWaalsContact O-CG1 3.26Å; L333-I340 WeakPolarHBondContact O-CG1 3.29Å; L333-I340 PolarHBondContact O-N 3.01Å; I335-I340 HydrophobicContact CD1-CD1 3.5Å; I335-I340 HydrophobicContact CD1-CG1 4.27Å; I335-I340 HydrophobicContact CD1-CG2 4.1Å; I335-I340 HydrophobicContact CG1-CD1 3.78Å; I335-I340 HydrophobicContact CG1-CG1 4.18Å; I335-I340 HydrophobicContact CG1-CG2 4.29Å; I338-I340 PolarHBondContact O-N 3.32Å
341A95.5Very high94.3Very high36 Ų3669.3 Ų69.330%0.29834%0.344SS..EExtended strand (participates in β ladder)trans-150.4153175.800000110.5Y332 L333 F362Y332-A341 VanDerWaalsContact CA-O 3.31Å; Y332-A341 WeakPolarHBondContact CA-O 3.41Å; L333-A341 HydrophobicContact CB-CB 4.2Å; L333-A341 PolarHBondContact N-O 2.86Å; L333-A341 PolarHBondContact O-N 2.82Å; A341-F362 HydrophobicContact CB-CD1 3.68Å; A341-F362 HydrophobicContact CB-CE1 3.89Å
342K97.1Very high94Very high70 Ų7071.5 Ų71.530%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-136.7139.2-179-177.5-176.1-172.1166.60110.1G128 D132 I331 Y332G128-K342 PolarHBondContact O-NZ 3.36Å; D132-K342 IonicContact OD1-NZ 2.66Å; D132-K342 PolarHBondContact OD1-NZ 2.69Å; D132-K342 IonicContact OD2-NZ 3.25Å; D132-K342 PolarHBondContact OD2-NZ 3.2Å; I331-K342 CarbonylContact O-C 3.56Å; I331-K342 VanDerWaalsContact O-CA 3.32Å; I331-K342 WeakPolarHBondContact O-CA 3.49Å; Y332-K342 HydrophobicContact CD1-CB 3.93Å; Y332-K342 HydrophobicContact CD1-CD 4.41Å; Y332-K342 HydrophobicContact CD1-CG 3.95Å; Y332-K342 HydrophobicContact CE1-CB 3.9Å; Y332-K342 HydrophobicContact CE1-CD 3.55Å; Y332-K342 HydrophobicContact CE1-CG 3.55Å; Y332-K342 WeakPolarHBondContact OH-CE 3.23Å; Y332-K342 PolarHBondContact OH-NZ 2.81Å
343K97.9Very high93.8Very high96 Ų9674 Ų7442%0.41738%0.376SS..EExtended strand (participates in β ladder)trans-134.8162.8168.4-62.2-71.1-176.8-179.60109I331 F360 F362I331-K343 PolarHBondContact N-O 2.83Å; I331-K343 PolarHBondContact O-N 3.29Å; K343-F360 HydrophobicContact CB-CB 4.1Å; K343-F360 HydrophobicContact CB-CD1 3.59Å; K343-F360 HydrophobicContact CB-CE1 4.18Å; K343-F360 HydrophobicContact CB-CG 3.85Å; K343-F360 HydrophobicContact CD-CD1 4.18Å; K343-F360 HydrophobicContact CG-CB 4.05Å; K343-F360 HydrophobicContact CG-CD1 3.99Å; K343-F360 HydrophobicContact CG-CG 4.26Å; K343-F362 HydrophobicContact CB-CE1 4.33Å; K343-F362 HydrophobicContact CB-CZ 3.77Å; K343-F362 HydrophobicContact CG-CD1 4.46Å; K343-F362 HydrophobicContact CG-CE1 3.59Å; K343-F362 HydrophobicContact CG-CE2 4.15Å; K343-F362 HydrophobicContact CG-CZ 3.4Å; K343-F362 VanDerWaalsContact CG-CZ 3.4Å
344K97.8Very high93.9Very high141 Ų14174.1 Ų74.161%0.61338%0.377SS*.EExtended strand (participates in β ladder)trans-144.8147.7177.566.7-178.5-178.5-1780111.6V329 F360V329-K344 CarbonylContact O-C 3.54Å; V329-K344 WeakPolarHBondContact O-CA 3.31Å; K344-F360 VanDerWaalsContact O-CE1 3.31Å; K344-F360 WeakPolarHBondContact O-CE1 3.22Å; K344-F360 VanDerWaalsContact O-CZ 3.23Å; K344-F360 WeakPolarHBondContact O-CZ 3.42Å
345T98.5Very high94Very high8 Ų877.2 Ų77.25%0.04940%0.396CS..PPolyproline II helixtrans-78.3171.1171.268.50000111.7V310 V329 Y356 E358 F360V310-T345 HydrophobicContact CB-CG2 4.05Å; V310-T345 HydrophobicContact CG1-CG2 4.22Å; V310-T345 HydrophobicContact CG2-CG2 4.27Å; V329-T345 HydrophobicContact CB-CG2 3.84Å; V329-T345 HydrophobicContact CG2-CG2 4.49Å; V329-T345 PolarHBondContact N-OG1 3.23Å; V329-T345 PolarHBondContact O-N 2.65Å; T345-Y356 HydrophobicContact CG2-CD1 4.04Å; T345-Y356 HydrophobicContact CG2-CG 4.27Å; T345-Y356 WeakPolarHBondContact OG1-CE1 3.42Å; T345-E358 VanDerWaalsContact CA-OE2 3.32Å; T345-E358 WeakPolarHBondContact CA-OE2 3.26Å; T345-E358 WeakPolarHBondContact CB-OE1 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.31Å; T345-F360 HydrophobicContact CG2-CE2 3.88Å; T345-F360 HydrophobicContact CG2-CZ 4.1Å
346H97.8Very high94.3Very high133 Ų13375.9 Ų75.962%0.61639%0.389SS*.PPolyproline II helixtrans-67153.5163-6380.1000110.9Y356 E358H346-Y356 WeakPolarHBondContact O-CE1 3.38Å; H346-E358 WeakPolarHBondContact CB-OE1 3.21Å; H346-E358 IonicContact CE1-OE2 3.07Å; H346-E358 IonicContact CG-OE1 3.87Å; H346-E358 IonicContact CG-OE2 3.18Å; H346-E358 PolarHBondContact N-OE1 2.86Å; H346-E358 PolarHBondContact N-OE2 3.27Å; H346-E358 VanDerWaalsContact N-OE2 3.14Å; H346-E358 VanDerWaalsContact ND1-CD 3.25Å; H346-E358 IonicContact ND1-OE1 3.02Å; H346-E358 PolarHBondContact ND1-OE1 2.86Å; H346-E358 IonicContact ND1-OE2 3.56Å; H346-E358 PolarHBondContact ND1-OE2 2.85Å
347V96.1Very high94.8Very high52 Ų5276.5 Ų76.532%0.31539%0.392SS..PPolyproline II helixtrans-77.6125.7173.5179.60000109.1D326 Y328 K349 W384D326-V347 HydrophobicContact CB-CG1 3.99Å; D326-V347 WeakPolarHBondContact O-CG1 3.29Å; Y328-V347 HydrophobicContact CD1-CG2 4.28Å; Y328-V347 HydrophobicContact CG-CG2 4.2Å; V347-K349 HydrophobicContact CG1-CG 4.49Å; V347-W384 HydrophobicContact CG1-CB 3.74Å; V347-W384 HydrophobicContact CG1-CD2 4.46Å; V347-W384 HydrophobicContact CG1-CG 4.16Å; V347-W384 HydrophobicContact CG2-CB 4.01Å; V347-W384 HydrophobicContact CG2-CG 4Å
348K95.7Very high95.2Very high70 Ų7075.1 Ų75.130%0.30437%0.369SS..  trans-98.4113.7173.2-62.8-70.4169.6159.90107.9D326 P327 T351 P354 V355 Y356D326-K348 CarbonylContact C-O 3.55Å; D326-K348 VanDerWaalsContact CA-O 3.31Å; D326-K348 WeakPolarHBondContact CA-O 2.94Å; P327-K348 WeakPolarHBondContact CD-O 3.22Å; P327-K348 PolarHBondContact O-N 3.1Å; K348-T351 HydrophobicContact CB-CG2 3.79Å; K348-P354 HydrophobicContact CB-CB 3.78Å; K348-P354 HydrophobicContact CG-CB 3.87Å; K348-V355 WeakPolarHBondContact CE-O 3.12Å; K348-V355 PolarHBondContact NZ-O 3.4Å; K348-Y356 HydrophobicContact CB-CE1 4.4Å; K348-Y356 HydrophobicContact CG-CD1 3.85Å; K348-Y356 HydrophobicContact CG-CE1 3.56Å
349K90.7Very high95.6Very high155 Ų15572.8 Ų72.867%0.67437%0.367SS*.  trans-79.3142.8-173.2-65.3-179.6-179.9172.60111.9D326 V347 T351D326-K349 WeakPolarHBondContact OD1-CA 3.45Å; V347-K349 HydrophobicContact CG1-CG 4.49Å; K349-T351 PolarHBondContact O-N 3.43Å
350R86.8Confident95.7Very high156 Ų15670.1 Ų70.159%0.58936%0.356SS*.SBendtrans5152.7169.8-58.5-18068.41672.8113.9Y324 A325 D326Y324-R350 HydrophobicContact CD1-CB 4.23Å; Y324-R350 VanDerWaalsContact CD1-O 3.25Å; Y324-R350 WeakPolarHBondContact CD1-O 3.18Å; Y324-R350 HydrophobicContact CG-CB 3.99Å; A325-R350 CarbonylContact O-C 3.59Å; A325-R350 WeakPolarHBondContact O-CA 3.3Å; A325-R350 PolarHBondContact O-N 3.24Å; D326-R350 PolarHBondContact OD1-N 3.43Å
351T91.2Very high96Very high37 Ų3769.9 Ų69.923%0.22735%0.354CS..  trans-146.7148-179.7-176.30000112.8A325 P327 K348 K349 S353 P354A325-T351 PolarHBondContact O-N 3.36Å; P327-T351 WeakPolarHBondContact CD-O 3.26Å; P327-T351 HydrophobicContact CG-CG2 3.97Å; P327-T351 WeakPolarHBondContact CG-O 3.3Å; K348-T351 HydrophobicContact CB-CG2 3.79Å; K349-T351 PolarHBondContact O-N 3.43Å; T351-S353 PolarHBondContact OG1-N 2.99Å; T351-S353 VanDerWaalsContact OG1-N 3.1Å; T351-P354 HydrophobicContact CG2-CB 3.84Å
352V91.3Very high96Very high46 Ų4668.4 Ų68.428%0.27934%0.342SS..SBendtrans-106.4-3.8171-58.80000113.2N315 L316 T318 P354N315-V352 PolarHBondContact N-O 2.81Å; L316-V352 HydrophobicContact CB-CB 4.38Å; L316-V352 WeakPolarHBondContact CB-O 3.47Å; L316-V352 WeakPolarHBondContact CG-O 2.95Å; L316-V352 PolarHBondContact N-O 3.44Å; L316-V352 VanDerWaalsContact N-O 3.1Å; T318-V352 HydrophobicContact CG2-CG1 3.08Å; V352-P354 VanDerWaalsContact C-CD 3.45Å
353S94.8Very high95.9Very high59 Ų5970 Ų7041%0.41335%0.353SS..SBendtrans-13362.1-179.9-60.80000109.6A313 T351A313-S353 CarbonylContact O-C 3.51Å; A313-S353 WeakPolarHBondContact O-CA 3.24Å; T351-S353 PolarHBondContact OG1-N 2.99Å; T351-S353 VanDerWaalsContact OG1-N 3.1Å
354P96.9Very high95.6Very high2 Ų266.5 Ų66.51%0.01334%0.339CS..  trans-67.8142.1-177.429.8-36.9000111.7K312 A313 L316 P327 K348 T351 V352 Y356K312-P354 CarbonylContact C-O 3.53Å; K312-P354 WeakPolarHBondContact CA-O 3.43Å; K312-P354 VanDerWaalsContact CB-O 3.3Å; K312-P354 WeakPolarHBondContact CB-O 3.4Å; A313-P354 HydrophobicContact CB-CG 3.9Å; A313-P354 PolarHBondContact N-O 2.87Å; L316-P354 HydrophobicContact CD1-CG 3.76Å; P327-P354 HydrophobicContact CB-CG 4.19Å; P327-P354 HydrophobicContact CG-CB 3.86Å; P327-P354 HydrophobicContact CG-CG 3.63Å; K348-P354 HydrophobicContact CB-CB 3.78Å; K348-P354 HydrophobicContact CG-CB 3.87Å; T351-P354 HydrophobicContact CG2-CB 3.84Å; V352-P354 VanDerWaalsContact C-CD 3.45Å; P354-Y356 HydrophobicContact CB-CD2 4.37Å; P354-Y356 HydrophobicContact CB-CE1 4.24Å; P354-Y356 HydrophobicContact CB-CE2 3.66Å; P354-Y356 HydrophobicContact CG-CD2 4.48Å; P354-Y356 HydrophobicContact CG-CE2 3.49Å; P354-Y356 VanDerWaalsContact CG-CE2 3.49Å; P354-Y356 WeakPolarHBondContact CG-OH 3.14Å
355V98.4Very high94.9Very high76 Ų7661.6 Ų61.646%0.46132%0.321SS..EExtended strand (participates in β ladder)trans-110.7118.6167.4-178.90000108.2K312 K348 N357K312-V355 HydrophobicContact CB-CG2 4.23Å; K348-V355 WeakPolarHBondContact CE-O 3.12Å; K348-V355 PolarHBondContact NZ-O 3.4Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.5Å
356Y98.5Very high94Very high11 Ų1169.1 Ų69.14%0.04336%0.356CS..EExtended strand (participates in β ladder)trans-99-58.6-177.8-60.8-78.4000110.7V310 L311 P327 V329 T345 H346 K348 P354 E358V310-Y356 HydrophobicContact CG1-CD2 3.63Å; V310-Y356 HydrophobicContact CG1-CE2 4.24Å; V310-Y356 HydrophobicContact CG1-CG 4.08Å; V310-Y356 WeakPolarHBondContact O-CB 3.35Å; L311-Y356 PolarHBondContact O-N 3.1Å; P327-Y356 WeakPolarHBondContact CB-OH 3.25Å; P327-Y356 PolarHBondContact O-OH 3.02Å; V329-Y356 HydrophobicContact CG2-CD2 4.46Å; V329-Y356 HydrophobicContact CG2-CE1 4.47Å; V329-Y356 HydrophobicContact CG2-CE2 3.8Å; T345-Y356 HydrophobicContact CG2-CD1 4.04Å; T345-Y356 HydrophobicContact CG2-CG 4.27Å; T345-Y356 WeakPolarHBondContact OG1-CE1 3.42Å; H346-Y356 WeakPolarHBondContact O-CE1 3.38Å; K348-Y356 HydrophobicContact CB-CE1 4.4Å; K348-Y356 HydrophobicContact CG-CD1 3.85Å; K348-Y356 HydrophobicContact CG-CE1 3.56Å; P354-Y356 HydrophobicContact CB-CD2 4.37Å; P354-Y356 HydrophobicContact CB-CE1 4.24Å; P354-Y356 HydrophobicContact CB-CE2 3.66Å; P354-Y356 HydrophobicContact CG-CD2 4.48Å; P354-Y356 HydrophobicContact CG-CE2 3.49Å; P354-Y356 VanDerWaalsContact CG-CE2 3.49Å; P354-Y356 WeakPolarHBondContact CG-OH 3.14Å; Y356-E358 PolarHBondContact O-N 2.92Å
357N98.2Very high92.5Very high116 Ų11667.7 Ų67.762%0.6236%0.359SS*.EExtended strand (participates in β ladder)trans51.942-170.1-61.5-28.3000112.6V310 L311 V355V310-N357 PolarHBondContact O-N 2.88Å; V310-N357 VanDerWaalsContact O-N 3.17Å; L311-N357 PolarHBondContact O-N 3.39Å; L311-N357 PolarHBondContact O-OD1 3.26Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.5Å
358E98.6Very high91Very high29 Ų2968 Ų6814%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-110128.6-177.6-65.8-178.6-123.600110.2A309 V310 T345 H346 Y356 F360A309-E358 CarbonylContact C-O 3.4Å; A309-E358 WeakPolarHBondContact CA-O 3.21Å; V310-E358 PolarHBondContact N-O 3.2Å; V310-E358 PolarHBondContact O-N 3.48Å; V310-E358 VanDerWaalsContact O-N 3.07Å; T345-E358 VanDerWaalsContact CA-OE2 3.32Å; T345-E358 WeakPolarHBondContact CA-OE2 3.26Å; T345-E358 WeakPolarHBondContact CB-OE1 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.31Å; H346-E358 WeakPolarHBondContact CB-OE1 3.21Å; H346-E358 IonicContact CE1-OE2 3.07Å; H346-E358 IonicContact CG-OE1 3.87Å; H346-E358 IonicContact CG-OE2 3.18Å; H346-E358 PolarHBondContact N-OE1 2.86Å; H346-E358 PolarHBondContact N-OE2 3.27Å; H346-E358 VanDerWaalsContact N-OE2 3.14Å; H346-E358 VanDerWaalsContact ND1-CD 3.25Å; H346-E358 IonicContact ND1-OE1 3.02Å; H346-E358 PolarHBondContact ND1-OE1 2.86Å; H346-E358 IonicContact ND1-OE2 3.56Å; H346-E358 PolarHBondContact ND1-OE2 2.85Å; Y356-E358 PolarHBondContact O-N 2.92Å; E358-F360 HydrophobicContact CB-CE2 3.76Å; E358-F360 HydrophobicContact CB-CZ 3.87Å
359A98.1Very high89.4Confident65 Ų6569.9 Ų69.954%0.53739%0.385SS..EExtended strand (participates in β ladder)trans-113.9136.9-178.500000111.6A309A309-A359 HydrophobicContact CB-CB 3.98Å
360F98.2Very high88.3Confident30 Ų3065.4 Ų65.413%0.13238%0.377CS..EExtended strand (participates in β ladder)trans-128134.1-176.6-57.2-84.5000110.3C307 V308 I331 K343 K344 T345 E358 F362C307-F360 CarbonylContact C-O 3.53Å; C307-F360 WeakPolarHBondContact CA-O 3.18Å; V308-F360 PolarHBondContact N-O 3.5Å; V308-F360 PolarHBondContact O-N 3.35Å; I331-F360 HydrophobicContact CD1-CB 4.41Å; I331-F360 HydrophobicContact CD1-CD2 3.2Å; I331-F360 HydrophobicContact CD1-CE2 3.61Å; I331-F360 HydrophobicContact CD1-CG 3.97Å; K343-F360 HydrophobicContact CB-CB 4.1Å; K343-F360 HydrophobicContact CB-CD1 3.59Å; K343-F360 HydrophobicContact CB-CE1 4.18Å; K343-F360 HydrophobicContact CB-CG 3.85Å; K343-F360 HydrophobicContact CD-CD1 4.18Å; K343-F360 HydrophobicContact CG-CB 4.05Å; K343-F360 HydrophobicContact CG-CD1 3.99Å; K343-F360 HydrophobicContact CG-CG 4.26Å; K344-F360 VanDerWaalsContact O-CE1 3.31Å; K344-F360 WeakPolarHBondContact O-CE1 3.22Å; K344-F360 VanDerWaalsContact O-CZ 3.23Å; K344-F360 WeakPolarHBondContact O-CZ 3.42Å; T345-F360 HydrophobicContact CG2-CE2 3.88Å; T345-F360 HydrophobicContact CG2-CZ 4.1Å; E358-F360 HydrophobicContact CB-CE2 3.76Å; E358-F360 HydrophobicContact CB-CZ 3.87Å; F360-F362 HydrophobicContact CB-CE2 4.08Å
361I97.3Very high87.8Confident79 Ų7959.8 Ų59.841%0.40536%0.36SS..EExtended strand (participates in β ladder)trans-101.9131.8177.7-58.1176.2000108.8K305 I306 C307K305-I361 HydrophobicContact CB-CG2 3.85Å; K305-I361 HydrophobicContact CD-CG2 3.51Å; K305-I361 HydrophobicContact CG-CG2 4.22Å; I306-I361 WeakPolarHBondContact O-CA 3.4Å; C307-I361 HydrophobicContact CB-CG1 4.48Å
362F96.7Very high87.1Confident6 Ų659.6 Ų59.63%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-117.7139.5171.4-63.3-91.6000110.4K305 I306 V308 I331 L333 A341 K343 F360K305-F362 VanDerWaalsContact CA-O 3.26Å; K305-F362 WeakPolarHBondContact CA-O 3.2Å; K305-F362 WeakPolarHBondContact CB-O 3.1Å; I306-F362 HydrophobicContact CG2-CB 3.87Å; I306-F362 HydrophobicContact CG2-CD2 4.5Å; I306-F362 PolarHBondContact N-O 3.23Å; I306-F362 PolarHBondContact O-N 3.37Å; V308-F362 HydrophobicContact CB-CE2 4.35Å; V308-F362 HydrophobicContact CG2-CD2 4.05Å; V308-F362 HydrophobicContact CG2-CE2 4.13Å; I331-F362 HydrophobicContact CB-CE2 4.41Å; I331-F362 HydrophobicContact CB-CZ 4.07Å; I331-F362 HydrophobicContact CG2-CE2 3.71Å; I331-F362 HydrophobicContact CG2-CZ 3.71Å; L333-F362 HydrophobicContact CB-CD1 3.89Å; L333-F362 HydrophobicContact CB-CE1 4.26Å; L333-F362 HydrophobicContact CB-CG 4.33Å; L333-F362 HydrophobicContact CD2-CB 4Å; A341-F362 HydrophobicContact CB-CD1 3.68Å; A341-F362 HydrophobicContact CB-CE1 3.89Å; K343-F362 HydrophobicContact CB-CE1 4.33Å; K343-F362 HydrophobicContact CB-CZ 3.77Å; K343-F362 HydrophobicContact CG-CD1 4.46Å; K343-F362 HydrophobicContact CG-CE1 3.59Å; K343-F362 HydrophobicContact CG-CE2 4.15Å; K343-F362 HydrophobicContact CG-CZ 3.4Å; K343-F362 VanDerWaalsContact CG-CZ 3.4Å; F360-F362 HydrophobicContact CB-CE2 4.08Å
363D94Very high86.7Confident103 Ų10361.3 Ų61.355%0.55137%0.366SS*.EExtended strand (participates in β ladder)trans-78.1128.5170-61.3-49.3000109.1K305 L333K305-D363 WeakPolarHBondContact CD-OD1 3.27Å; K305-D363 WeakPolarHBondContact CE-OD1 3.15Å; K305-D363 IonicContact NZ-OD1 2.96Å; K305-D363 PolarHBondContact NZ-OD1 3.28Å; L333-D363 WeakPolarHBondContact CD2-O 3.38Å
364L91.8Very high86.4Confident22 Ų2262.1 Ų62.112%0.11536%0.362CS..PPolyproline II helixtrans-90146.6174.4-60.7176.3000109.3F299 N304 I306 L333 I375F299-L364 HydrophobicContact CD1-CD1 3.94Å; F299-L364 HydrophobicContact CE1-CD1 3.9Å; N304-L364 PolarHBondContact ND2-O 3.49Å; N304-L364 VanDerWaalsContact O-CB 3.31Å; N304-L364 WeakPolarHBondContact O-CB 3.19Å; N304-L364 PolarHBondContact O-N 2.92Å; I306-L364 HydrophobicContact CB-CD1 4.21Å; I306-L364 HydrophobicContact CB-CD2 4.24Å; I306-L364 HydrophobicContact CB-CG 4.34Å; I306-L364 HydrophobicContact CG2-CD2 3.69Å; I306-L364 HydrophobicContact CG2-CG 4.18Å; L333-L364 HydrophobicContact CD1-CD2 4.11Å; L333-L364 HydrophobicContact CD2-CD2 4.2Å; L364-I375 HydrophobicContact CD2-CD1 4.47Å; L364-I375 HydrophobicContact CD2-CG2 4.19Å
365P84.5Confident86.2Confident38 Ų3862.3 Ų62.325%0.24736%0.363CS..PPolyproline II helixtrans-57.3153.3168.5-20.331.1000111.2N304 I335 V371 I375N304-P365 PolarHBondContact ND2-O 3.2Å; I335-P365 HydrophobicContact CD1-CB 4.45Å; I335-P365 HydrophobicContact CD1-CG 3.27Å; I335-P365 HydrophobicContact CG1-CG 4.19Å; P365-V371 HydrophobicContact CB-CG1 4.28Å; P365-V371 HydrophobicContact CG-CG1 4.3Å; P365-I375 HydrophobicContact CG-CD1 4.43Å
366E78.3Confident86.1Confident167 Ų16759.2 Ų59.278%0.7835%0.345SS*.PPolyproline II helixtrans-50138174.7-73.8-172171.900111.3S368E366-S368 PolarHBondContact O-N 2.94Å
367P67.5Low86Confident102 Ų10258.7 Ų58.766%0.66234%0.343SS*.  trans-72.470.5-175.931-35.6000110.8
368S64.5Low86Confident59 Ų5955 Ų5541%0.41332%0.322SS..  trans-81.3137.715961.50000108.2E366 A370 V371 T372E366-S368 PolarHBondContact O-N 2.94Å; S368-A370 PolarHBondContact O-N 2.86Å; S368-V371 PolarHBondContact O-N 3.44Å; S368-V371 WeakPolarHBondContact OG-CG2 3.18Å; S368-T372 PolarHBondContact O-OG1 3.15Å
369S61.7Low86Confident110 Ų11053.6 Ų53.677%0.76932%0.315SS*.Hα-helixtrans-58.4-25.3-174.7720000112.9V371S369-V371 PolarHBondContact O-N 2.9Å
370A67.6Low85.9Confident61 Ų6150.9 Ų50.950%0.50429%0.292SS..Hα-helixtrans-76.9-16.5-17700000115.4S368 K374S368-A370 PolarHBondContact O-N 2.86Å; A370-K374 VanDerWaalsContact O-CE 3.3Å; A370-K374 WeakPolarHBondContact O-CE 3.11Å; A370-K374 PolarHBondContact O-NZ 3.36Å
371V75.1Confident85.8Confident38 Ų3849.4 Ų49.423%0.2329%0.285CS..Hα-helixtrans-106.9-33.1-173.5-177.40000112.3I335 P365 S368 S369 D373 K374 I375I335-V371 HydrophobicContact CG2-CG1 3.86Å; P365-V371 HydrophobicContact CB-CG1 4.28Å; P365-V371 HydrophobicContact CG-CG1 4.3Å; S368-V371 PolarHBondContact O-N 3.44Å; S368-V371 WeakPolarHBondContact OG-CG2 3.18Å; S369-V371 PolarHBondContact O-N 2.9Å; V371-D373 VanDerWaalsContact C-N 3.3Å; V371-D373 PolarHBondContact O-N 3.07Å; V371-K374 WeakPolarHBondContact O-CA 3.33Å; V371-K374 WeakPolarHBondContact O-CB 3.42Å; V371-K374 PolarHBondContact O-N 2.93Å; V371-I375 HydrophobicContact CG1-CG1 4.47Å
372T76.6Confident85.5Confident32 Ų3245.7 Ų45.720%0.19627%0.266CS..Hα-helixtrans-58.7-39.5-170.5-53.40000112.8S368 K374 I375S368-T372 PolarHBondContact O-OG1 3.15Å; T372-K374 PolarHBondContact O-N 2.9Å; T372-I375 PolarHBondContact O-N 3.07Å
373D84.4Confident85.1Confident82 Ų8245.5 Ų45.544%0.43927%0.265SS..THydrogen-bonded Turntrans-74.5-3.3179.8-61.9-16.4000113.8V371 R401V371-D373 VanDerWaalsContact C-N 3.3Å; V371-D373 PolarHBondContact O-N 3.07Å; D373-R401 WeakPolarHBondContact O-CD 3.45Å; D373-R401 PolarHBondContact O-NE 3.05Å
374K87.9Confident84.9Confident76 Ų7644.5 Ų44.533%0.3325%0.254SS..THydrogen-bonded Turntrans-108.6-0.1179.6-57.3174.7-177157.20112.2I335 N336 A370 V371 T372I335-K374 CarbonylContact C-O 3.53Å; I335-K374 WeakPolarHBondContact CA-O 3.5Å; N336-K374 HydrophobicContact CB-CB 4.19Å; N336-K374 HydrophobicContact CB-CD 4.15Å; N336-K374 PolarHBondContact N-O 2.93Å; A370-K374 VanDerWaalsContact O-CE 3.3Å; A370-K374 WeakPolarHBondContact O-CE 3.11Å; A370-K374 PolarHBondContact O-NZ 3.36Å; V371-K374 WeakPolarHBondContact O-CA 3.33Å; V371-K374 WeakPolarHBondContact O-CB 3.42Å; V371-K374 PolarHBondContact O-N 2.93Å; T372-K374 PolarHBondContact O-N 2.9Å
375I93.2Very high84.2Confident7 Ų744.2 Ų44.24%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-83.1131.8178.3-58.6174.9000109.1L333 L334 L364 P365 V371 T372 P400 W411L333-I375 HydrophobicContact CD1-CG2 3.71Å; L334-I375 VanDerWaalsContact O-CA 3.31Å; L334-I375 WeakPolarHBondContact O-CA 3.43Å; L364-I375 HydrophobicContact CD2-CD1 4.47Å; L364-I375 HydrophobicContact CD2-CG2 4.19Å; P365-I375 HydrophobicContact CG-CD1 4.43Å; V371-I375 HydrophobicContact CG1-CG1 4.47Å; T372-I375 PolarHBondContact O-N 3.07Å; I375-P400 WeakPolarHBondContact O-CD 3.25Å; I375-W411 HydrophobicContact CB-CH2 4.47Å; I375-W411 HydrophobicContact CB-CZ2 4.23Å; I375-W411 HydrophobicContact CG2-CH2 3.74Å; I375-W411 HydrophobicContact CG2-CZ2 3.98Å
376S95.6Very high83.4Confident10 Ų1051.9 Ų51.97%0.0728%0.277CS..EExtended strand (participates in β ladder)trans-141.5157.7169.4610000111.6L334 I398L334-S376 PolarHBondContact N-O 3.23Å; L334-S376 PolarHBondContact O-N 2.89Å; S376-I398 CarbonylContact C-O 3.54Å; S376-I398 WeakPolarHBondContact CA-O 3.42Å
377V97.3Very high82.4Confident0 Ų046.5 Ų46.50%025%0.252CS..EExtended strand (participates in β ladder)trans-109121171.4174.10000107.8I306 V308 I331 Y332 L333 I379 I398 W411I306-V377 HydrophobicContact CD1-CG2 4.36Å; V308-V377 HydrophobicContact CG1-CG1 4.27Å; V308-V377 HydrophobicContact CG2-CG1 4.23Å; V308-V377 HydrophobicContact CG2-CG2 4.19Å; I331-V377 HydrophobicContact CG2-CG1 3.81Å; Y332-V377 CarbonylContact O-C 3.58Å; Y332-V377 VanDerWaalsContact O-CA 3.32Å; Y332-V377 WeakPolarHBondContact O-CA 3.26Å; L333-V377 HydrophobicContact CD1-CG2 4.1Å; V377-I379 HydrophobicContact CG1-CD1 4.3Å; V377-I379 HydrophobicContact CG1-CG1 4Å; V377-I398 PolarHBondContact N-O 3.08Å; V377-I398 PolarHBondContact O-N 2.82Å; V377-W411 HydrophobicContact CG2-CZ3 3.86Å
378E97.3Very high82Confident39 Ų3942.4 Ų42.418%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-105129.4174-171.6-171.4-125.500109.1I331 Y332 L334 K339 L380 V396I331-E378 CarbonylContact C-O 3.56Å; I331-E378 WeakPolarHBondContact CA-O 3.44Å; Y332-E378 PolarHBondContact N-O 3.11Å; Y332-E378 PolarHBondContact O-N 2.89Å; L334-E378 HydrophobicContact CD1-CB 3.39Å; K339-E378 WeakPolarHBondContact CE-OE2 2.99Å; K339-E378 IonicContact NZ-OE2 2.76Å; K339-E378 PolarHBondContact NZ-OE2 3.34Å; E378-L380 HydrophobicContact CG-CD1 3.63Å; E378-L380 WeakPolarHBondContact OE2-CD1 3.16Å; E378-V396 CarbonylContact C-O 3.57Å; E378-V396 WeakPolarHBondContact CA-O 3.26Å
379I97.8Very high82.1Confident0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-119.1120.8-178.5-62.1175.5000107.4V295 V308 V329 K330 I331 V377 R395 V396 I398V295-I379 HydrophobicContact CB-CD1 4.12Å; V295-I379 HydrophobicContact CG1-CD1 3.5Å; V295-I379 VanDerWaalsContact CG1-CD1 3.5Å; V295-I379 HydrophobicContact CG2-CD1 3.52Å; V308-I379 HydrophobicContact CG1-CD1 4.39Å; V329-I379 HydrophobicContact CG1-CG2 3.35Å; K330-I379 WeakPolarHBondContact O-CA 2.87Å; I331-I379 HydrophobicContact CG2-CG1 4.34Å; V377-I379 HydrophobicContact CG1-CD1 4.3Å; V377-I379 HydrophobicContact CG1-CG1 4Å; I379-R395 CarbonylContact O-C 3.57Å; I379-R395 VanDerWaalsContact O-CA 3.3Å; I379-R395 WeakPolarHBondContact O-CA 3.23Å; I379-V396 HydrophobicContact CB-CB 4.29Å; I379-V396 PolarHBondContact N-O 2.84Å; I379-V396 PolarHBondContact O-N 3.06Å; I379-I398 HydrophobicContact CD1-CD1 4.13Å
380L96.1Very high83.1Confident7 Ų736.5 Ų36.54%0.03718%0.18CC..EExtended strand (participates in β ladder)trans-112.4119.4175.9-71.481.2000108.5V329 K330 Y332 E378 M382 V392V329-L380 CarbonylContact C-O 3.59Å; V329-L380 WeakPolarHBondContact CA-O 3.11Å; K330-L380 HydrophobicContact CB-CB 4.4Å; K330-L380 PolarHBondContact N-O 2.91Å; K330-L380 PolarHBondContact O-N 3.36Å; Y332-L380 HydrophobicContact CD2-CD1 3.68Å; Y332-L380 HydrophobicContact CE2-CD1 3.72Å; E378-L380 HydrophobicContact CG-CD1 3.63Å; E378-L380 WeakPolarHBondContact OE2-CD1 3.16Å; L380-M382 HydrophobicContact CB-CG 4.39Å; L380-M382 HydrophobicContact CB-SD 3.89Å; L380-M382 HydrophobicContact CD2-SD 4.22Å; L380-V392 HydrophobicContact CD2-CG1 4.23Å; L380-V392 HydrophobicContact CD2-CG2 4.19Å
381V95.5Very high83.7Confident0 Ų035 Ų350%016%0.162CC..EExtended strand (participates in β ladder)trans-85.3123.7167.3-1750000107.2V293 L316 V329 M393 G394 L428V293-V381 HydrophobicContact CB-CG2 4.38Å; L316-V381 HydrophobicContact CD1-CG1 3.99Å; L316-V381 HydrophobicContact CD2-CG1 4Å; V329-V381 HydrophobicContact CG2-CG2 4.11Å; V381-M393 HydrophobicContact CB-CB 4.46Å; V381-M393 HydrophobicContact CG1-CB 4.32Å; V381-M393 HydrophobicContact CG1-SD 3.9Å; V381-M393 WeakPolarHBondContact O-CB 3.36Å; V381-M393 PolarHBondContact O-N 2.79Å; V381-G394 PolarHBondContact N-O 2.76Å; V381-G394 PolarHBondContact O-N 2.82Å; V381-L428 HydrophobicContact CB-CD1 4.13Å; V381-L428 HydrophobicContact CB-CD2 4.28Å; V381-L428 HydrophobicContact CG2-CD1 3.94Å; V381-L428 HydrophobicContact CG2-CD2 3.62Å; V381-L428 HydrophobicContact CG2-CG 4.46Å
382M92.5Very high84.3Confident0 Ų034.3 Ų34.30%016%0.158CC..EExtended strand (participates in β ladder)trans-119.4143.8-171.7-56.6-65.4-56.100109.3I135 P327 Y328 K330 L380 N390 E391 V392I135-M382 HydrophobicContact CD1-CE 4.04Å; P327-M382 CarbonylContact C-O 3.42Å; P327-M382 VanDerWaalsContact CA-O 3.22Å; P327-M382 WeakPolarHBondContact CA-O 3.27Å; Y328-M382 HydrophobicContact CD1-CB 3.63Å; Y328-M382 HydrophobicContact CD2-CB 4.32Å; Y328-M382 HydrophobicContact CE1-CB 3.21Å; Y328-M382 HydrophobicContact CE1-CG 4.07Å; Y328-M382 HydrophobicContact CE2-CB 3.95Å; Y328-M382 HydrophobicContact CE2-CG 3.95Å; Y328-M382 HydrophobicContact CG-CB 4.17Å; Y328-M382 PolarHBondContact N-O 2.97Å; Y328-M382 PolarHBondContact O-N 2.82Å; K330-M382 HydrophobicContact CD-CG 4.16Å; K330-M382 HydrophobicContact CD-SD 4.45Å; K330-M382 HydrophobicContact CG-CG 4.15Å; L380-M382 HydrophobicContact CB-CG 4.39Å; L380-M382 HydrophobicContact CB-SD 3.89Å; L380-M382 HydrophobicContact CD2-SD 4.22Å; M382-N390 HydrophobicContact CE-CB 4.15Å; M382-E391 CarbonylContact C-O 3.58Å; M382-E391 VanDerWaalsContact CA-O 3.23Å; M382-E391 WeakPolarHBondContact CA-O 3.48Å; M382-V392 HydrophobicContact CE-CB 4.5Å; M382-V392 HydrophobicContact CE-CG2 3.75Å; M382-V392 HydrophobicContact SD-CB 4.19Å; M382-V392 HydrophobicContact SD-CG1 4.41Å; M382-V392 HydrophobicContact SD-CG2 3.67Å
383D88.7Confident84.9Confident2 Ų232.8 Ų32.81%0.01115%0.148CC..EExtended strand (participates in β ladder)trans-91.2121.9166-163.26.7000108.7D326 D385 N390 E391 M393D326-D383 PolarHBondContact N-OD1 2.94Å; D383-D385 PolarHBondContact O-N 2.97Å; D383-N390 VanDerWaalsContact O-CA 3.27Å; D383-N390 WeakPolarHBondContact O-CA 3.16Å; D383-N390 WeakPolarHBondContact O-CB 3.34Å; D383-E391 PolarHBondContact N-O 2.81Å; D383-E391 PolarHBondContact O-N 3.48Å; D383-E391 VanDerWaalsContact O-N 3.15Å; D383-M393 HydrophobicContact CB-CG 3.98Å; D383-M393 HydrophobicContact CB-SD 4.09Å
384W88.3Confident85.2Confident82 Ų8228.9 Ų28.931%0.31113%0.128SC..  trans-80.5120.8177.4-179.378.6000110.1D326 Y328 V347 R386 N390D326-W384 HydrophobicContact CB-CB 4.14Å; D326-W384 HydrophobicContact CB-CE3 4.28Å; D326-W384 WeakPolarHBondContact CB-O 3.34Å; D326-W384 VanDerWaalsContact O-CB 3.28Å; D326-W384 WeakPolarHBondContact O-CB 3.33Å; D326-W384 PolarHBondContact O-N 2.68Å; Y328-W384 HydrophobicContact CD1-CB 3.78Å; Y328-W384 HydrophobicContact CE1-CB 3.94Å; V347-W384 HydrophobicContact CG1-CB 3.74Å; V347-W384 HydrophobicContact CG1-CD2 4.46Å; V347-W384 HydrophobicContact CG1-CG 4.16Å; V347-W384 HydrophobicContact CG2-CB 4.01Å; V347-W384 HydrophobicContact CG2-CG 4Å; W384-R386 HydrophobicContact CH2-CB 3.54Å; W384-R386 HydrophobicContact CH2-CG 3.88Å; W384-R386 HydrophobicContact CZ2-CB 4.24Å; W384-R386 HydrophobicContact CZ3-CB 3.8Å; W384-N390 WeakPolarHBondContact CA-OD1 3.15Å
385D77.8Confident85.5Confident16 Ų1629.6 Ų29.69%0.08613%0.128CC..  trans-112.4127.7178-99.1-45.5000110.7R280 D383 I387 T388 N390R280-D385 IonicContact NH1-OD1 3.77Å; R280-D385 IonicContact NH1-OD2 3.84Å; R280-D385 PolarHBondContact NH1-OD2 2.92Å; D383-D385 PolarHBondContact O-N 2.97Å; D385-I387 VanDerWaalsContact C-N 3.26Å; D385-I387 PolarHBondContact O-N 3.04Å; D385-T388 VanDerWaalsContact CB-O 3.28Å; D385-T388 WeakPolarHBondContact CB-O 3.35Å; D385-T388 WeakPolarHBondContact CB-OG1 3.48Å; D385-T388 PolarHBondContact OD1-OG1 2.81Å; D385-T388 PolarHBondContact OD2-OG1 3.32Å; D385-N390 PolarHBondContact N-OD1 2.68Å
386R67.3Low85.6Confident200 Ų20029.6 Ų29.676%0.75513%0.129SC*.SBendtrans-70-27.2177.3-174.2170.3176.4-179.21.1112.8W384W384-R386 HydrophobicContact CH2-CB 3.54Å; W384-R386 HydrophobicContact CH2-CG 3.88Å; W384-R386 HydrophobicContact CZ2-CB 4.24Å; W384-R386 HydrophobicContact CZ3-CB 3.8Å
387I56.9Low85.7Confident53 Ų5332.2 Ų32.227%0.27214%0.14SC..SBendtrans-113.9-47.3-165.8-66170.9000110.6K193 K203 D385K193-I387 HydrophobicContact CD-CD1 4.42Å; K193-I387 HydrophobicContact CD-CG2 3.57Å; K203-I387 HydrophobicContact CD-CD1 3.79Å; D385-I387 VanDerWaalsContact C-N 3.26Å; D385-I387 PolarHBondContact O-N 3.04Å
388T59.3Low85.7Confident16 Ų1632.2 Ų32.210%0.09814%0.14CC..SBendtrans-96.9170.2-175.639.60000108.7I251 R280 D385I251-T388 HydrophobicContact CD1-CG2 3.19Å; I251-T388 HydrophobicContact CG1-CG2 3.91Å; R280-T388 PolarHBondContact NH1-OG1 2.85Å; R280-T388 VanDerWaalsContact NH1-OG1 3.09Å; D385-T388 VanDerWaalsContact CB-O 3.28Å; D385-T388 WeakPolarHBondContact CB-O 3.35Å; D385-T388 WeakPolarHBondContact CB-OG1 3.48Å; D385-T388 PolarHBondContact OD1-OG1 2.81Å; D385-T388 PolarHBondContact OD2-OG1 3.32Å
389K67.6Low85.6Confident30 Ų3030.3 Ų30.313%0.1313%0.131CC..PPolyproline II helixtrans-64.1143.4172.6-177.6175.3171178.90109.4E134 E138 E391E134-K389 VanDerWaalsContact CD-NZ 3.3Å; E134-K389 WeakPolarHBondContact OE2-CE 3.49Å; E134-K389 IonicContact OE2-NZ 2.76Å; E134-K389 PolarHBondContact OE2-NZ 3Å; E138-K389 IonicContact OE1-NZ 3.33Å; E138-K389 PolarHBondContact OE1-NZ 2.93Å; E138-K389 IonicContact OE2-NZ 2.8Å; E138-K389 PolarHBondContact OE2-NZ 3.18Å; K389-E391 WeakPolarHBondContact O-CG 3.34Å; K389-E391 PolarHBondContact O-N 2.99Å
390N83.1Confident85.4Confident16 Ų1631.8 Ų31.89%0.08614%0.14CC..PPolyproline II helixtrans-61.6135.3173.7-58.2-47.4000110E131 Y328 M382 D383 W384 D385E131-N390 PolarHBondContact OE1-ND2 3.07Å; Y328-N390 HydrophobicContact CE1-CB 4.31Å; Y328-N390 PolarHBondContact OH-ND2 3.02Å; M382-N390 HydrophobicContact CE-CB 4.15Å; D383-N390 VanDerWaalsContact O-CA 3.27Å; D383-N390 WeakPolarHBondContact O-CA 3.16Å; D383-N390 WeakPolarHBondContact O-CB 3.34Å; W384-N390 WeakPolarHBondContact CA-OD1 3.15Å; D385-N390 PolarHBondContact N-OD1 2.68Å
391E80.1Confident85.2Confident28 Ų2839.2 Ų39.213%0.13117%0.168CC..EExtended strand (participates in β ladder)trans-105.5140.9-173.3-61-170.9126.900111.2R280 F284 M382 D383 K389 M393R280-E391 WeakPolarHBondContact CD-OE1 3.13Å; R280-E391 VanDerWaalsContact CD-OE2 3.31Å; R280-E391 WeakPolarHBondContact CD-OE2 3.22Å; R280-E391 VanDerWaalsContact CG-OE1 3.26Å; R280-E391 WeakPolarHBondContact CG-OE1 3.46Å; R280-E391 IonicContact NH1-OE2 2.82Å; F284-E391 HydrophobicContact CE2-CB 3.91Å; F284-E391 HydrophobicContact CE2-CG 4.3Å; F284-E391 WeakPolarHBondContact CE2-OE2 3.44Å; F284-E391 HydrophobicContact CZ-CB 3.78Å; F284-E391 WeakPolarHBondContact CZ-OE2 3.41Å; M382-E391 CarbonylContact C-O 3.58Å; M382-E391 VanDerWaalsContact CA-O 3.23Å; M382-E391 WeakPolarHBondContact CA-O 3.48Å; D383-E391 PolarHBondContact N-O 2.81Å; D383-E391 PolarHBondContact O-N 3.48Å; D383-E391 VanDerWaalsContact O-N 3.15Å; K389-E391 WeakPolarHBondContact O-CG 3.34Å; K389-E391 PolarHBondContact O-N 2.99Å; E391-M393 PolarHBondContact O-N 2.87Å
392V87.2Confident85.1Confident24 Ų2439.3 Ų39.315%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-77.5111.8174.4-176.20000108.1I135 L380 M382I135-V392 HydrophobicContact CG2-CG2 3.74Å; L380-V392 HydrophobicContact CD2-CG1 4.23Å; L380-V392 HydrophobicContact CD2-CG2 4.19Å; M382-V392 HydrophobicContact CE-CB 4.5Å; M382-V392 HydrophobicContact CE-CG2 3.75Å; M382-V392 HydrophobicContact SD-CB 4.19Å; M382-V392 HydrophobicContact SD-CG1 4.41Å; M382-V392 HydrophobicContact SD-CG2 3.67Å
393M88.3Confident85Confident0 Ų043 Ų430%020%0.195CC..EExtended strand (participates in β ladder)trans-73.9-40.4175-54179.186.900110.3F284 R290 L316 P317 A325 P327 V381 D383 E391F284-M393 HydrophobicContact CE1-CB 4.5Å; F284-M393 HydrophobicContact CE1-CG 4.32Å; R290-M393 VanDerWaalsContact CD-O 3.23Å; R290-M393 WeakPolarHBondContact CD-O 3.29Å; R290-M393 PolarHBondContact NH1-O 2.83Å; L316-M393 HydrophobicContact CB-CE 3.7Å; L316-M393 HydrophobicContact CD1-CE 4.32Å; L316-M393 HydrophobicContact CD1-SD 4.21Å; P317-M393 HydrophobicContact CG-CB 4.4Å; P317-M393 HydrophobicContact CG-CE 4.13Å; P317-M393 WeakPolarHBondContact O-CE 3.39Å; A325-M393 HydrophobicContact CB-CE 3.8Å; P327-M393 HydrophobicContact CB-SD 4.09Å; V381-M393 HydrophobicContact CB-CB 4.46Å; V381-M393 HydrophobicContact CG1-CB 4.32Å; V381-M393 HydrophobicContact CG1-SD 3.9Å; V381-M393 WeakPolarHBondContact O-CB 3.36Å; V381-M393 PolarHBondContact O-N 2.79Å; D383-M393 HydrophobicContact CB-CG 3.98Å; D383-M393 HydrophobicContact CB-SD 4.09Å; E391-M393 PolarHBondContact O-N 2.87Å
394G91.2Very high85.3Confident0 Ų044.1 Ų44.10%020%0.203CC..EExtended strand (participates in β ladder)trans177173.3171.100000113.3V381 K429V381-G394 PolarHBondContact N-O 2.76Å; V381-G394 PolarHBondContact O-N 2.82Å; G394-K429 CarbonylContact C-O 3.59Å; G394-K429 WeakPolarHBondContact CA-O 3.43Å
395R93.6Very high85.7Confident92 Ų9244 Ų4435%0.34722%0.219SC..EExtended strand (participates in β ladder)trans-127151.3-172.374.5-171-171.7-123.82.3113.2M139 I379 K429 P430M139-R395 VanDerWaalsContact CE-NH1 3.33Å; I379-R395 CarbonylContact O-C 3.57Å; I379-R395 VanDerWaalsContact O-CA 3.3Å; I379-R395 WeakPolarHBondContact O-CA 3.23Å; R395-K429 HydrophobicContact CG-CB 4.28Å; R395-K429 PolarHBondContact N-O 2.9Å; R395-K429 PolarHBondContact O-N 2.94Å; R395-P430 WeakPolarHBondContact CD-O 3.26Å; R395-P430 VanDerWaalsContact CG-O 3.27Å; R395-P430 WeakPolarHBondContact CG-O 3.41Å; R395-P430 PolarHBondContact NE-O 2.81Å; R395-P430 PolarHBondContact NH1-O 3.48Å
396V96.1Very high86.6Confident7 Ų746.6 Ų46.64%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-131137.7168.7-176.40000108.5V293 E378 I379 I398 H426 L428V293-V396 HydrophobicContact CG1-CG2 3.65Å; E378-V396 CarbonylContact C-O 3.57Å; E378-V396 WeakPolarHBondContact CA-O 3.26Å; I379-V396 HydrophobicContact CB-CB 4.29Å; I379-V396 PolarHBondContact N-O 2.84Å; I379-V396 PolarHBondContact O-N 3.06Å; V396-I398 HydrophobicContact CG1-CD1 4.18Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; V396-H426 HydrophobicContact CB-CB 4.24Å; V396-H426 HydrophobicContact CG1-CB 3.49Å; V396-H426 VanDerWaalsContact CG1-CB 3.49Å; V396-H426 HydrophobicContact CG2-CB 3.66Å; V396-L428 HydrophobicContact CG2-CD2 3.76Å
397E96.7Very high88Confident64 Ų6437 Ų3730%0.29920%0.196SC..EExtended strand (participates in β ladder)trans-117.7130.5170.8-175.4-174.3-162.700108.6A402 S403E397-A402 HydrophobicContact CG-CB 4.17Å; E397-A402 WeakPolarHBondContact O-CB 3.48Å; E397-S403 PolarHBondContact OE2-N 3.36Å
398I97.8Very high89.9Confident0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-128.5126.1179.4-51.9171.4000107.9V295 L297 S376 V377 I379 V396 G407 H410 W411V295-I398 HydrophobicContact CB-CD1 4.37Å; V295-I398 HydrophobicContact CG1-CD1 4.01Å; L297-I398 HydrophobicContact CD1-CG2 3.6Å; S376-I398 CarbonylContact C-O 3.54Å; S376-I398 WeakPolarHBondContact CA-O 3.42Å; V377-I398 PolarHBondContact N-O 3.08Å; V377-I398 PolarHBondContact O-N 2.82Å; I379-I398 HydrophobicContact CD1-CD1 4.13Å; V396-I398 HydrophobicContact CG1-CD1 4.18Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; I398-G407 VanDerWaalsContact CG2-O 3.28Å; I398-G407 WeakPolarHBondContact CG2-O 3.1Å; I398-H410 HydrophobicContact CG2-CB 4.28Å; I398-W411 HydrophobicContact CG2-CB 4.12Å; I398-W411 HydrophobicContact CG2-CE3 4.23Å
399G96Very high91.8Very high0 Ų039.6 Ų39.60%021%0.212CC..SBendtrans162.8171.2-174.200000112.3R401 A402 G407G399-R401 PolarHBondContact O-N 2.9Å; G399-R401 VanDerWaalsContact O-N 3.09Å; G399-A402 WeakPolarHBondContact O-CB 3.35Å; G399-A402 PolarHBondContact O-N 2.94Å; G399-A402 VanDerWaalsContact O-N 3.07Å; G399-G407 PolarHBondContact N-O 2.68Å
400P93.3Very high93.2Very high31 Ų3138.2 Ų38.220%0.20121%0.205CC..THydrogen-bonded Turntrans-59.7-25.1-177.6-22.735000113.7I375I375-P400 WeakPolarHBondContact O-CD 3.25Å
401R91.8Very high93.8Very high163 Ų16337.7 Ų37.762%0.61520%0.202SC*.THydrogen-bonded Turntrans-116.419.6-179.7-62.2-178.6179.4-167.3-4113D373 G399D373-R401 WeakPolarHBondContact O-CD 3.45Å; D373-R401 PolarHBondContact O-NE 3.05Å; G399-R401 PolarHBondContact O-N 2.9Å; G399-R401 VanDerWaalsContact O-N 3.09Å
402A93.5Very high94.6Very high1 Ų142 Ų421%0.00822%0.222CC..  trans-58.2143.118000000111.5E397 G399 S404 Q408E397-A402 HydrophobicContact CG-CB 4.17Å; E397-A402 WeakPolarHBondContact O-CB 3.48Å; G399-A402 WeakPolarHBondContact O-CB 3.35Å; G399-A402 PolarHBondContact O-N 2.94Å; G399-A402 VanDerWaalsContact O-N 3.07Å; A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.17Å; A402-Q408 HydrophobicContact CB-CG 4.15Å; A402-Q408 PolarHBondContact O-NE2 3.17Å
403S91.4Very high95Very high79 Ų7944.2 Ų44.255%0.55223%0.231SC*.SBendtrans-65.5-15179.364.30000115.3E397E397-S403 PolarHBondContact OE2-N 3.36Å
404S93.8Very high95.4Very high25 Ų2544.2 Ų44.218%0.17523%0.231CC..SBendtrans-107.6139.2176.158.90000111A402 L406 G407 Q408A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.17Å; S404-L406 PolarHBondContact O-N 2.69Å; S404-G407 PolarHBondContact O-N 3.01Å; S404-G407 PolarHBondContact OG-N 2.99Å; S404-G407 VanDerWaalsContact OG-N 3.1Å; S404-Q408 PolarHBondContact O-N 3.02Å; S404-Q408 VanDerWaalsContact O-N 3.13Å
405A96.2Very high95.5Very high79 Ų7948.4 Ų48.465%0.65325%0.249SC*.Hα-helixtrans-56.7-39.1172.900000111.7G407 Q408 S409A405-G407 VanDerWaalsContact C-N 3.32Å; A405-G407 PolarHBondContact O-N 2.77Å; A405-Q408 PolarHBondContact O-N 3.02Å; A405-S409 PolarHBondContact O-N 2.95Å; A405-S409 PolarHBondContact O-OG 2.93Å
406L97.3Very high95.5Very high70 Ų7048 Ų4837%0.36626%0.26SS..Hα-helixtrans-65-33.7176-172.861.5000113S404 S409 H410 W425S404-L406 PolarHBondContact O-N 2.69Å; L406-S409 WeakPolarHBondContact CA-OG 3.47Å; L406-S409 PolarHBondContact O-OG 3.22Å; L406-H410 WeakPolarHBondContact O-CB 3.38Å; L406-H410 PolarHBondContact O-N 3.1Å; L406-W425 WeakPolarHBondContact CD2-O 3.32Å
407G97.5Very high95.4Very high0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-68.4-36.7174.700000112.2I398 G399 S404 A405 W411I398-G407 VanDerWaalsContact CG2-O 3.28Å; I398-G407 WeakPolarHBondContact CG2-O 3.1Å; G399-G407 PolarHBondContact N-O 2.68Å; S404-G407 PolarHBondContact O-N 3.01Å; S404-G407 PolarHBondContact OG-N 2.99Å; S404-G407 VanDerWaalsContact OG-N 3.1Å; A405-G407 VanDerWaalsContact C-N 3.32Å; A405-G407 PolarHBondContact O-N 2.77Å; G407-W411 PolarHBondContact O-N 2.89Å
408Q97Very high94.9Very high73 Ų7349.5 Ų49.534%0.34127%0.273SS..Hα-helixtrans-69.2-50.9174.1-63.4174.523.500110.8A402 S404 A405 H410 W411 E412A402-Q408 HydrophobicContact CB-CG 4.15Å; A402-Q408 PolarHBondContact O-NE2 3.17Å; S404-Q408 PolarHBondContact O-N 3.02Å; S404-Q408 VanDerWaalsContact O-N 3.13Å; A405-Q408 PolarHBondContact O-N 3.02Å; Q408-H410 PolarHBondContact O-N 3.36Å; Q408-W411 WeakPolarHBondContact O-CB 3.36Å; Q408-W411 PolarHBondContact O-N 3.29Å; Q408-W411 VanDerWaalsContact O-N 3.15Å; Q408-E412 WeakPolarHBondContact O-CG 3.45Å; Q408-E412 PolarHBondContact O-N 3.2Å
409S97.5Very high94.5Very high50 Ų5056.4 Ų56.435%0.3530%0.299SS..Hα-helixtrans-63.5-39.5-177.8710000112.6A405 L406 W411 E412 E413A405-S409 PolarHBondContact O-N 2.95Å; A405-S409 PolarHBondContact O-OG 2.93Å; L406-S409 WeakPolarHBondContact CA-OG 3.47Å; L406-S409 PolarHBondContact O-OG 3.22Å; S409-W411 VanDerWaalsContact C-N 3.32Å; S409-W411 PolarHBondContact O-N 3.49Å; S409-E412 PolarHBondContact O-N 3.29Å; S409-E413 VanDerWaalsContact O-CB 3.31Å; S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 PolarHBondContact O-N 3.29Å
410H98.1Very high94.4Very high0 Ų061.9 Ų61.90%032%0.323CS..Hα-helixtrans-62.2-40.9176-175.9-167.9000111.5V295 I398 L406 Q408 A414 I422 H424 H426V295-H410 PolarHBondContact O-CE1 2.92Å; V295-H410 VanDerWaalsContact O-CE1 3.23Å; I398-H410 HydrophobicContact CG2-CB 4.28Å; L406-H410 WeakPolarHBondContact O-CB 3.38Å; L406-H410 PolarHBondContact O-N 3.1Å; Q408-H410 PolarHBondContact O-N 3.36Å; H410-A414 VanDerWaalsContact O-CB 3.32Å; H410-A414 WeakPolarHBondContact O-CB 3.33Å; H410-A414 PolarHBondContact O-N 3.3Å; H410-A414 VanDerWaalsContact O-N 3.07Å; H410-I422 PolarHBondContact NE2-O 3.19Å; H410-H424 AromaticContact CD2-CD2 3.43Å; H410-H424 PolarHBondContact CD2-CD2 2.92Å; H410-H424 VanDerWaalsContact CD2-CD2 3.43Å; H410-H424 AromaticContact CG-CD2 3.7Å; H410-H424 AromaticContact NE2-CD2 3.96Å; H410-H426 AromaticContact CE1-NE2 3.9Å; H410-H426 AromaticContact CG-NE2 3.87Å; H410-H426 AromaticContact ND1-CE1 3.83Å; H410-H426 AromaticContact ND1-NE2 3.04Å; H410-H426 PolarHBondContact ND1-NE2 3.01Å
411W96.5Very high94.5Very high5 Ų566.8 Ų66.82%0.01934%0.343CS..Hα-helixtrans-65-46.3176.3-174.3-93.2000111.9L297 F299 I306 I375 V377 I398 G407 Q408 S409 A414 K415L297-W411 HydrophobicContact CD1-CE3 3.94Å; F299-W411 HydrophobicContact CE1-CH2 4.05Å; F299-W411 AromaticContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE1-CZ2 3.92Å; F299-W411 HydrophobicContact CE2-CD2 4.43Å; F299-W411 AromaticContact CZ-CD2 3.86Å; F299-W411 HydrophobicContact CZ-CD2 3.86Å; F299-W411 AromaticContact CZ-CE2 3.6Å; F299-W411 AromaticContact CZ-CE3 3.97Å; F299-W411 HydrophobicContact CZ-CE3 3.97Å; F299-W411 AromaticContact CZ-CH2 3.66Å; F299-W411 HydrophobicContact CZ-CH2 3.66Å; F299-W411 AromaticContact CZ-CZ2 3.53Å; F299-W411 HydrophobicContact CZ-CZ2 3.53Å; F299-W411 AromaticContact CZ-CZ3 3.87Å; F299-W411 HydrophobicContact CZ-CZ3 3.87Å; I306-W411 HydrophobicContact CD1-CE3 4.32Å; I306-W411 HydrophobicContact CD1-CH2 3.84Å; I306-W411 HydrophobicContact CD1-CZ3 3.49Å; I306-W411 VanDerWaalsContact CD1-CZ3 3.49Å; I375-W411 HydrophobicContact CB-CH2 4.47Å; I375-W411 HydrophobicContact CB-CZ2 4.23Å; I375-W411 HydrophobicContact CG2-CH2 3.74Å; I375-W411 HydrophobicContact CG2-CZ2 3.98Å; V377-W411 HydrophobicContact CG2-CZ3 3.86Å; I398-W411 HydrophobicContact CG2-CB 4.12Å; I398-W411 HydrophobicContact CG2-CE3 4.23Å; G407-W411 PolarHBondContact O-N 2.89Å; Q408-W411 WeakPolarHBondContact O-CB 3.36Å; Q408-W411 PolarHBondContact O-N 3.29Å; Q408-W411 VanDerWaalsContact O-N 3.15Å; S409-W411 VanDerWaalsContact C-N 3.32Å; S409-W411 PolarHBondContact O-N 3.49Å; W411-A414 PolarHBondContact O-N 2.67Å; W411-K415 VanDerWaalsContact O-CB 3.27Å; W411-K415 WeakPolarHBondContact O-CB 3.41Å; W411-K415 PolarHBondContact O-N 3.34Å
412E95.5Very high94.8Very high119 Ų11959.3 Ų59.356%0.55632%0.315SS*.Hα-helixtrans-64-43.3178.8-71.6178.4175.300112.5Q408 S409 K415 S416Q408-E412 WeakPolarHBondContact O-CG 3.45Å; Q408-E412 PolarHBondContact O-N 3.2Å; S409-E412 PolarHBondContact O-N 3.29Å; E412-K415 PolarHBondContact O-N 3.46Å; E412-S416 WeakPolarHBondContact O-CB 3.44Å; E412-S416 PolarHBondContact O-N 2.87Å; E412-S416 PolarHBondContact O-OG 3.2Å
413E97Very high95Very high70 Ų7061.6 Ų61.633%0.32733%0.334SS..Hα-helixtrans-63.1-45177.1-170.7-175.6171.700111.2S409 K415 S416 N417 I422 H424S409-E413 VanDerWaalsContact O-CB 3.31Å; S409-E413 WeakPolarHBondContact O-CB 3.27Å; S409-E413 PolarHBondContact O-N 3.29Å; E413-K415 PolarHBondContact O-N 2.92Å; E413-S416 WeakPolarHBondContact CA-OG 3.45Å; E413-S416 PolarHBondContact O-N 3.02Å; E413-S416 PolarHBondContact O-OG 3.29Å; E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.08Å; E413-I422 HydrophobicContact CB-CG2 4.26Å; E413-I422 HydrophobicContact CG-CD1 4.24Å; E413-I422 HydrophobicContact CG-CG1 4.22Å; E413-I422 HydrophobicContact CG-CG2 3.94Å; E413-H424 IonicContact OE2-CD2 3.67Å; E413-H424 IonicContact OE2-CE1 2.65Å; E413-H424 IonicContact OE2-NE2 3.32Å; E413-H424 PolarHBondContact OE2-NE2 2.7Å
414A95.8Very high95.3Very high0 Ų060.3 Ų60.30%032%0.319CS..Hα-helixtrans-65.9-38.1177.100000112.3L297 F299 H410 W411 N417 I422L297-A414 HydrophobicContact CB-CB 3.69Å; L297-A414 HydrophobicContact CD1-CB 4.43Å; F299-A414 VanDerWaalsContact CD2-C 3.48Å; F299-A414 HydrophobicContact CD2-CB 3.9Å; F299-A414 WeakPolarHBondContact CD2-O 3.2Å; F299-A414 HydrophobicContact CE2-CB 3.83Å; H410-A414 VanDerWaalsContact O-CB 3.32Å; H410-A414 WeakPolarHBondContact O-CB 3.33Å; H410-A414 PolarHBondContact O-N 3.3Å; H410-A414 VanDerWaalsContact O-N 3.07Å; W411-A414 PolarHBondContact O-N 2.67Å; A414-N417 CarbonylContact O-C 3.58Å; A414-I422 HydrophobicContact CB-CB 4.15Å; A414-I422 HydrophobicContact CB-CG1 4.13Å
415K92.5Very high95.6Very high88 Ų8862.8 Ų62.838%0.38333%0.325SS..Hα-helixtrans-69.5-38.4178.3-174.5-179.6177.2-174.20112.2F299 W411 E412 E413 N417F299-K415 HydrophobicContact CD2-CB 4.23Å; F299-K415 HydrophobicContact CE2-CB 4.04Å; F299-K415 HydrophobicContact CZ-CB 4.45Å; W411-K415 VanDerWaalsContact O-CB 3.27Å; W411-K415 WeakPolarHBondContact O-CB 3.41Å; W411-K415 PolarHBondContact O-N 3.34Å; E412-K415 PolarHBondContact O-N 3.46Å; E413-K415 PolarHBondContact O-N 2.92Å; K415-N417 VanDerWaalsContact C-N 3.33Å
416S94Very high95.6Very high83 Ų8359.2 Ų59.258%0.5830%0.295SS*.Hα-helixtrans-74.7-20.8178.854.40000113.5E412 E413 P418E412-S416 WeakPolarHBondContact O-CB 3.44Å; E412-S416 PolarHBondContact O-N 2.87Å; E412-S416 PolarHBondContact O-OG 3.2Å; E413-S416 WeakPolarHBondContact CA-OG 3.45Å; E413-S416 PolarHBondContact O-N 3.02Å; E413-S416 PolarHBondContact O-OG 3.29Å; S416-P418 VanDerWaalsContact C-CD 3.44Å; S416-P418 VanDerWaalsContact O-CD 3.25Å; S416-P418 WeakPolarHBondContact O-CD 3.41Å
417N94Very high95.5Very high60 Ų6060.7 Ų60.732%0.32130%0.3SS..SBendtrans-115.770.1176.6-64.2-90.5000110.9E413 A414 K415 K420 I422E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.08Å; A414-N417 CarbonylContact O-C 3.58Å; K415-N417 VanDerWaalsContact C-N 3.33Å; N417-K420 HydrophobicContact CB-CB 3.95Å; N417-K420 HydrophobicContact CB-CD 4.19Å; N417-K420 WeakPolarHBondContact O-CB 3.34Å; N417-K420 PolarHBondContact O-N 3.45Å; N417-I422 HydrophobicContact CB-CD1 4.37Å
418P86.3Confident95.3Very high44 Ų4461.2 Ų61.229%0.28630%0.302SS..THydrogen-bonded Turntrans-57.7147.6179.726.6-34.6000110.7Q301 S416 K420Q301-P418 HydrophobicContact CG-CB 4Å; S416-P418 VanDerWaalsContact C-CD 3.44Å; S416-P418 VanDerWaalsContact O-CD 3.25Å; S416-P418 WeakPolarHBondContact O-CD 3.41Å; P418-K420 PolarHBondContact O-N 3.13Å
419W88.6Confident94.9Very high145 Ų14561.6 Ų61.655%0.54930%0.303SS..THydrogen-bonded Turntrans69.2-17.2-175.5-44.794.7000116.4C298 F299 R300 A302C298-W419 VanDerWaalsContact SG-C 3.52Å; C298-W419 PolarHBondContact SG-O 3.15Å; F299-W419 PolarHBondContact O-N 3.5Å; R300-W419 HydrophobicContact CB-CZ3 4.47Å; R300-W419 HydrophobicContact CG-CE3 4.48Å; R300-W419 HydrophobicContact CG-CZ3 4.33Å; A302-W419 HydrophobicContact CB-CH2 4.04Å; A302-W419 HydrophobicContact CB-CZ2 3.86Å
420K94.5Very high94.1Very high114 Ų11463.5 Ų63.550%0.49631%0.314SS..  trans-80135.3172.6-166.1175170.5-1690109.6N417 P418 I422N417-K420 HydrophobicContact CB-CB 3.95Å; N417-K420 HydrophobicContact CB-CD 4.19Å; N417-K420 WeakPolarHBondContact O-CB 3.34Å; N417-K420 PolarHBondContact O-N 3.45Å; P418-K420 PolarHBondContact O-N 3.13Å; K420-I422 HydrophobicContact CB-CD1 4.26Å; K420-I422 HydrophobicContact CD-CD1 3.65Å; K420-I422 HydrophobicContact CG-CD1 3.78Å; K420-I422 PolarHBondContact O-N 2.88Å
421Q95.4Very high93.9Very high135 Ų13566.7 Ų66.763%0.63133%0.33SS*.  trans-81.6112.4167.6-72.8-178.839.500108C298C298-Q421 HydrophobicContact CB-CG 3.93Å
422I98.1Very high93.7Very high6 Ų669.9 Ų69.93%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-98.4132.3173.6-56.2-55.7000107S296 L297 H410 E413 A414 N417 K420S296-I422 CarbonylContact C-O 3.34Å; S296-I422 WeakPolarHBondContact CA-O 3.38Å; S296-I422 WeakPolarHBondContact CB-O 3.04Å; S296-I422 PolarHBondContact OG-O 3.17Å; L297-I422 PolarHBondContact N-O 3.39Å; L297-I422 PolarHBondContact O-N 3.27Å; H410-I422 PolarHBondContact NE2-O 3.19Å; E413-I422 HydrophobicContact CB-CG2 4.26Å; E413-I422 HydrophobicContact CG-CD1 4.24Å; E413-I422 HydrophobicContact CG-CG1 4.22Å; E413-I422 HydrophobicContact CG-CG2 3.94Å; A414-I422 HydrophobicContact CB-CB 4.15Å; A414-I422 HydrophobicContact CB-CG1 4.13Å; N417-I422 HydrophobicContact CB-CD1 4.37Å; K420-I422 HydrophobicContact CB-CD1 4.26Å; K420-I422 HydrophobicContact CD-CD1 3.65Å; K420-I422 HydrophobicContact CG-CD1 3.78Å; K420-I422 PolarHBondContact O-N 2.88Å
423A98.3Very high93.6Very high48 Ų4867.2 Ų67.240%0.39734%0.335SS..EExtended strand (participates in β ladder)trans-128.8132.2-177.600000110.7L294 V295 L311L294-A423 HydrophobicContact CD1-CB 4.32Å; V295-A423 VanDerWaalsContact O-CA 3.31Å; V295-A423 WeakPolarHBondContact O-CA 3.21Å; L311-A423 HydrophobicContact CD1-CB 4.33Å
424H98.3Very high93.4Very high53 Ų5367.1 Ų67.125%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-137.1146.7177.6-80-80.2000110.9V295 H410 E413 H426V295-H424 PolarHBondContact N-O 3.14Å; V295-H424 VanDerWaalsContact N-O 3.07Å; V295-H424 PolarHBondContact O-N 3.28Å; H410-H424 AromaticContact CD2-CD2 3.43Å; H410-H424 PolarHBondContact CD2-CD2 2.92Å; H410-H424 VanDerWaalsContact CD2-CD2 3.43Å; H410-H424 AromaticContact CG-CD2 3.7Å; H410-H424 AromaticContact NE2-CD2 3.96Å; E413-H424 IonicContact OE2-CD2 3.67Å; E413-H424 IonicContact OE2-CE1 2.65Å; E413-H424 IonicContact OE2-NE2 3.32Å; E413-H424 PolarHBondContact OE2-NE2 2.7Å; H424-H426 PolarHBondContact O-CD2 3.38Å
425W98.3Very high93.3Very high77 Ų7771.3 Ų71.329%0.29236%0.356SS..EExtended strand (participates in β ladder)trans-76.4136.4166.9-75.7104.7000110E292 L294 K312 Q314 L406E292-W425 HydrophobicContact CB-CE3 4.12Å; E292-W425 HydrophobicContact CG-CD2 4.45Å; E292-W425 HydrophobicContact CG-CE3 3.62Å; E292-W425 HydrophobicContact CG-CZ3 3.85Å; L294-W425 HydrophobicContact CB-CD2 3.81Å; L294-W425 HydrophobicContact CB-CE3 3.67Å; L294-W425 HydrophobicContact CB-CH2 3.95Å; L294-W425 HydrophobicContact CB-CZ2 4.08Å; L294-W425 HydrophobicContact CB-CZ3 3.72Å; L294-W425 HydrophobicContact CD1-CD2 4.08Å; L294-W425 HydrophobicContact CD1-CG 4.05Å; L294-W425 HydrophobicContact CD2-CZ2 4.27Å; L294-W425 HydrophobicContact CG-CD2 4.42Å; K312-W425 HydrophobicContact CD-CH2 3.93Å; K312-W425 HydrophobicContact CD-CZ2 4.21Å; K312-W425 HydrophobicContact CG-CH2 3.82Å; K312-W425 HydrophobicContact CG-CZ2 4.36Å; Q314-W425 HydrophobicContact CB-CH2 4.42Å; Q314-W425 VanDerWaalsContact CD-CH2 3.46Å; Q314-W425 HydrophobicContact CG-CH2 3.78Å; Q314-W425 HydrophobicContact CG-CZ3 3.79Å; L406-W425 WeakPolarHBondContact CD2-O 3.32Å
426H97.9Very high93.3Very high4 Ų470.1 Ų70.12%0.01935%0.354CS..EExtended strand (participates in β ladder)trans-124.6125.5175.7-72.2-94.3000110E292 V293 V396 H410 H424 L428E292-H426 CarbonylContact C-O 3.52Å; E292-H426 WeakPolarHBondContact CA-O 3.4Å; E292-H426 WeakPolarHBondContact CB-O 3.29Å; V293-H426 HydrophobicContact CG1-CB 4.35Å; V293-H426 PolarHBondContact N-O 2.71Å; V293-H426 PolarHBondContact O-N 2.96Å; V396-H426 HydrophobicContact CB-CB 4.24Å; V396-H426 HydrophobicContact CG1-CB 3.49Å; V396-H426 VanDerWaalsContact CG1-CB 3.49Å; V396-H426 HydrophobicContact CG2-CB 3.66Å; H410-H426 AromaticContact CE1-NE2 3.9Å; H410-H426 AromaticContact CG-NE2 3.87Å; H410-H426 AromaticContact ND1-CE1 3.83Å; H410-H426 AromaticContact ND1-NE2 3.04Å; H410-H426 PolarHBondContact ND1-NE2 3.01Å; H424-H426 PolarHBondContact O-CD2 3.38Å; H426-L428 PolarHBondContact O-N 3.47Å
427Q94.9Very high93.3Very high101 Ų10169.2 Ų69.247%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-67.3130.3172.6-69.9-70.6-38.300109.8E292 K429E292-Q427 PolarHBondContact OE2-NE2 2.95Å; Q427-K429 PolarHBondContact O-N 2.78Å
428L93.7Very high93.2Very high11 Ų1169.9 Ų69.96%0.05834%0.339CS..PPolyproline II helixtrans-73.5123.1-179.6-68.1172.9000109.8R290 G291 V293 L316 V381 V396 H426R290-L428 HydrophobicContact CB-CB 3.9Å; R290-L428 WeakPolarHBondContact O-CD1 3.43Å; G291-L428 WeakPolarHBondContact O-CB 3.29Å; G291-L428 PolarHBondContact O-N 3.33Å; V293-L428 HydrophobicContact CB-CD2 4.42Å; V293-L428 HydrophobicContact CG1-CD2 3.87Å; L316-L428 HydrophobicContact CD2-CD1 3.41Å; L316-L428 VanDerWaalsContact CD2-CD1 3.41Å; V381-L428 HydrophobicContact CB-CD1 4.13Å; V381-L428 HydrophobicContact CB-CD2 4.28Å; V381-L428 HydrophobicContact CG2-CD1 3.94Å; V381-L428 HydrophobicContact CG2-CD2 3.62Å; V381-L428 HydrophobicContact CG2-CG 4.46Å; V396-L428 HydrophobicContact CG2-CD2 3.76Å; H426-L428 PolarHBondContact O-N 3.47Å
429K88.6Confident93.8Very high81 Ų8172.1 Ų72.135%0.35234%0.344SS..BIsolated β-bridgetrans-92.5163.1174.9-68.5-172.9-179.7-178.70110.7G394 R395 Q427G394-K429 CarbonylContact C-O 3.59Å; G394-K429 WeakPolarHBondContact CA-O 3.43Å; R395-K429 HydrophobicContact CG-CB 4.28Å; R395-K429 PolarHBondContact N-O 2.9Å; R395-K429 PolarHBondContact O-N 2.94Å; Q427-K429 PolarHBondContact O-N 2.78Å
430P79Confident94.3Very high90 Ų9065.5 Ų65.558%0.58433%0.325SS*.  trans-48.20-179.8-32.938000115.9R290 R395R290-P430 VanDerWaalsContact CZ-CA 3.49Å; R290-P430 PolarHBondContact NH1-OXT 2.86Å; R395-P430 WeakPolarHBondContact CD-O 3.26Å; R395-P430 VanDerWaalsContact CG-O 3.27Å; R395-P430 WeakPolarHBondContact CG-O 3.41Å; R395-P430 PolarHBondContact NE-O 2.81Å; R395-P430 PolarHBondContact NH1-O 3.48Å

Retrieved 430 of 430 residues in 301.7 ms (Link to these results)