Y5838_ARATH Loading...

Probably inactive leucine-rich repeat receptor-like protein kinase At5g48380

AlphaFold DB , UniProt , Accession Q9ASS4, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 620 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
1M54Low73.9Confident207 Ų207133 Ų133100%1.0266%0.662SS**  0-31.30-126.916410500114.2
2M57Low74.7Confident170 Ų170129 Ų12984%0.83764%0.644SS**Hα-helixtrans-68.3-37.3179.7-79.8173.883.400114.6G4 R5 L6M2-G4 VanDerWaalsContact C-N 3.27Å; M2-G4 PolarHBondContact O-N 3.39Å; M2-R5 PolarHBondContact O-N 2.89Å; M2-R5 VanDerWaalsContact O-N 3.13Å; M2-L6 PolarHBondContact O-N 3.48Å
3M62Low75.4Confident166 Ų166131 Ų13182%0.81864%0.641SS**Hα-helixtrans-64.8-30.8-177.3-150.3147.898.800113V7M3-V7 WeakPolarHBondContact O-CG2 3.29Å; M3-V7 PolarHBondContact O-N 3.06Å
4G71.1Confident75.8Confident50 Ų50127.4 Ų127.452%0.51563%0.626SS.*Hα-helixtrans-70.7-30.4174.800000114.1M2 F8M2-G4 VanDerWaalsContact C-N 3.27Å; M2-G4 PolarHBondContact O-N 3.39Å; G4-F8 WeakPolarHBondContact O-CB 3.13Å; G4-F8 PolarHBondContact O-N 3.42Å; G4-F8 VanDerWaalsContact O-N 3.12Å
5R73.6Confident76Confident185 Ų185121.7 Ų121.770%0.69860%0.603SS**Hα-helixtrans-71.3-41.1178.8-77.9-174.1172.7-179.4-2.3112.1M2 F8 V9M2-R5 PolarHBondContact O-N 2.89Å; M2-R5 VanDerWaalsContact O-N 3.13Å; R5-F8 PolarHBondContact O-N 3.48Å; R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 3.27Å
6L77.5Confident76.1Confident121 Ų121120.4 Ų120.463%0.63460%0.598SS**Hα-helixtrans-66-45.1179.5-164.281.3000111.3M2 F8 V9 I10M2-L6 PolarHBondContact O-N 3.48Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.31Å; L6-V9 PolarHBondContact O-N 3.22Å; L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 HydrophobicContact CG-CD1 4.13Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.19Å
7V81.8Confident75.8Confident94 Ų94115.6 Ų115.657%0.5758%0.579SS**Hα-helixtrans-61.3-40.2176.3176.10000111.1M3 I10 W11M3-V7 WeakPolarHBondContact O-CG2 3.29Å; M3-V7 PolarHBondContact O-N 3.06Å; V7-I10 PolarHBondContact O-N 3.47Å; V7-W11 VanDerWaalsContact O-CB 3.31Å; V7-W11 WeakPolarHBondContact O-CB 3.33Å; V7-W11 PolarHBondContact O-N 3.25Å
8F81Confident75.2Confident125 Ų125115.6 Ų115.655%0.54858%0.58SS.*Hα-helixtrans-65.6-41.1177.5-169.7-102.7000112.9G4 R5 L6 W11 L12G4-F8 WeakPolarHBondContact O-CB 3.13Å; G4-F8 PolarHBondContact O-N 3.42Å; G4-F8 VanDerWaalsContact O-N 3.12Å; R5-F8 PolarHBondContact O-N 3.48Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 3.31Å; F8-W11 HydrophobicContact CE2-CE3 4.46Å; F8-W11 PolarHBondContact O-N 2.86Å; F8-L12 HydrophobicContact CD1-CD1 3.98Å; F8-L12 HydrophobicContact CE1-CD1 3.36Å; F8-L12 HydrophobicContact CE2-CD1 4.28Å; F8-L12 HydrophobicContact CZ-CD1 3.53Å; F8-L12 WeakPolarHBondContact O-CB 3.32Å; F8-L12 PolarHBondContact O-N 2.96Å
9V83.7Confident74.6Confident94 Ų94115.6 Ų115.657%0.5758%0.582SS**Hα-helixtrans-66.2-42.7176.9172.30000111.4R5 L6 W11 L12 Y13R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 3.27Å; L6-V9 PolarHBondContact O-N 3.22Å; V9-W11 VanDerWaalsContact C-N 3.33Å; V9-W11 PolarHBondContact O-N 3.17Å; V9-L12 PolarHBondContact O-N 3.34Å; V9-Y13 WeakPolarHBondContact O-CB 3.49Å; V9-Y13 PolarHBondContact O-N 2.88Å
10I84.6Confident73.7Confident89 Ų89115.1 Ų115.146%0.45658%0.58SS.*Hα-helixtrans-63.3-42.4175.9-66.1165.9000110.3L6 V7 Y13 N14L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 HydrophobicContact CG-CD1 4.13Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.19Å; V7-I10 PolarHBondContact O-N 3.47Å; I10-Y13 PolarHBondContact O-N 3.07Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.26Å; I10-N14 WeakPolarHBondContact O-CB 3.32Å; I10-N14 PolarHBondContact O-N 3.32Å; I10-N14 PolarHBondContact O-ND2 3.36Å
11W86.8Confident72.7Confident162 Ų162112.9 Ų112.961%0.61457%0.569SS**Hα-helixtrans-63.4-43.8176.3-173.678000111.7V7 F8 V9 Y13 N14 C15V7-W11 VanDerWaalsContact O-CB 3.31Å; V7-W11 WeakPolarHBondContact O-CB 3.33Å; V7-W11 PolarHBondContact O-N 3.25Å; F8-W11 HydrophobicContact CE2-CE3 4.46Å; F8-W11 PolarHBondContact O-N 2.86Å; V9-W11 VanDerWaalsContact C-N 3.33Å; V9-W11 PolarHBondContact O-N 3.17Å; W11-Y13 PolarHBondContact O-N 3.42Å; W11-N14 PolarHBondContact O-N 2.99Å; W11-C15 WeakPolarHBondContact O-CB 3.31Å; W11-C15 PolarHBondContact O-N 3.27Å; W11-C15 PolarHBondContact O-SG 2.96Å
12L83.6Confident72.4Confident85 Ų85106 Ų10645%0.44554%0.542SS..Hα-helixtrans-62.2-43.5176.1-127.9106.4000112F8 V9 C15 L16F8-L12 HydrophobicContact CD1-CD1 3.98Å; F8-L12 HydrophobicContact CE1-CD1 3.36Å; F8-L12 HydrophobicContact CE2-CD1 4.28Å; F8-L12 HydrophobicContact CZ-CD1 3.53Å; F8-L12 WeakPolarHBondContact O-CB 3.32Å; F8-L12 PolarHBondContact O-N 2.96Å; V9-L12 PolarHBondContact O-N 3.34Å; L12-C15 PolarHBondContact O-N 2.94Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.3Å
13Y84.2Confident72.2Confident155 Ų155101.2 Ų101.261%0.60853%0.525SS*.Hα-helixtrans-63.4-45.3178.1-179.5-97.3000111.5V9 I10 W11 L16 C17V9-Y13 WeakPolarHBondContact O-CB 3.49Å; V9-Y13 PolarHBondContact O-N 2.88Å; I10-Y13 PolarHBondContact O-N 3.07Å; W11-Y13 PolarHBondContact O-N 3.42Å; Y13-L16 PolarHBondContact O-N 3.45Å; Y13-C17 WeakPolarHBondContact O-CB 3.29Å; Y13-C17 PolarHBondContact O-N 3.22Å; Y13-C17 PolarHBondContact O-SG 3.29Å; Y13-C17 VanDerWaalsContact O-SG 3.41Å
14N80.8Confident71.7Confident81 Ų8198.9 Ų98.943%0.43352%0.515SS..Hα-helixtrans-63.6-41.7175.4-79.8-74.9000111.9I10 W11 L16 C17 L18I10-N14 WeakPolarHBondContact CG2-ND2 3.26Å; I10-N14 WeakPolarHBondContact O-CB 3.32Å; I10-N14 PolarHBondContact O-N 3.32Å; I10-N14 PolarHBondContact O-ND2 3.36Å; W11-N14 PolarHBondContact O-N 2.99Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 3.49Å; N14-C17 PolarHBondContact O-N 3.17Å; N14-L18 VanDerWaalsContact O-CB 3.29Å; N14-L18 WeakPolarHBondContact O-CB 3.39Å; N14-L18 WeakPolarHBondContact O-CD1 3.45Å; N14-L18 WeakPolarHBondContact O-CG 3.48Å; N14-L18 PolarHBondContact O-N 2.76Å
15C78.8Confident70.8Confident41 Ų41101.5 Ų101.528%0.27752%0.521SS..Hα-helixtrans-61.4-42.1173.5-74.20000111.7W11 L12 L18 L19W11-C15 WeakPolarHBondContact O-CB 3.31Å; W11-C15 PolarHBondContact O-N 3.27Å; W11-C15 PolarHBondContact O-SG 2.96Å; L12-C15 PolarHBondContact O-N 2.94Å; C15-L18 PolarHBondContact O-N 2.84Å; C15-L19 WeakPolarHBondContact O-CB 3.46Å; C15-L19 WeakPolarHBondContact O-CD1 3.32Å; C15-L19 WeakPolarHBondContact O-CG 3.29Å; C15-L19 PolarHBondContact O-N 2.63Å
16L77.5Confident70.3Confident101 Ų10198.2 Ų98.253%0.52952%0.517SS..Hα-helixtrans-66.7-43.6178.5-15088.7000111.6L12 Y13 N14 L19 L20L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.3Å; Y13-L16 PolarHBondContact O-N 3.45Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.03Å; L16-L20 HydrophobicContact CD2-CD1 4.38Å; L16-L20 HydrophobicContact CG-CD1 4.42Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.12Å; L16-L20 PolarHBondContact O-N 3.17Å
17C70.6Confident69.5Low39 Ų3994.8 Ų94.826%0.26451%0.507SS..Hα-helixtrans-63.9-41.4175-73.40000111.9Y13 N14 L20 L21Y13-C17 WeakPolarHBondContact O-CB 3.29Å; Y13-C17 PolarHBondContact O-N 3.22Å; Y13-C17 PolarHBondContact O-SG 3.29Å; Y13-C17 VanDerWaalsContact O-SG 3.41Å; N14-C17 PolarHBondContact O-N 3.17Å; C17-L20 PolarHBondContact O-N 3.46Å; C17-L21 WeakPolarHBondContact O-CB 3.47Å; C17-L21 WeakPolarHBondContact O-CD1 3.45Å; C17-L21 VanDerWaalsContact O-CG 3.25Å; C17-L21 WeakPolarHBondContact O-CG 3.45Å; C17-L21 PolarHBondContact O-N 3.35Å
18L65.9Low69.1Low116 Ų11692.5 Ų92.561%0.60749%0.491SS*.Hα-helixtrans-63.9-40.5175.2-76.3167000111.8N14 C15 L21 S22N14-L18 VanDerWaalsContact O-CB 3.29Å; N14-L18 WeakPolarHBondContact O-CB 3.39Å; N14-L18 WeakPolarHBondContact O-CD1 3.45Å; N14-L18 WeakPolarHBondContact O-CG 3.48Å; N14-L18 PolarHBondContact O-N 2.76Å; C15-L18 PolarHBondContact O-N 2.84Å; L18-L21 PolarHBondContact O-N 2.62Å; L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 2.8Å; L18-S22 PolarHBondContact O-OG 3.37Å
19L63.6Low69.4Low116 Ų11690 Ų9061%0.60748%0.481SS*.Hα-helixtrans-67.1-37.9176.2-73.8167.7000112.8C15 L16 S22 S23C15-L19 WeakPolarHBondContact O-CB 3.46Å; C15-L19 WeakPolarHBondContact O-CD1 3.32Å; C15-L19 WeakPolarHBondContact O-CG 3.29Å; C15-L19 PolarHBondContact O-N 2.63Å; L16-L19 PolarHBondContact O-N 3.03Å; L19-S22 PolarHBondContact O-OG 2.87Å; L19-S22 VanDerWaalsContact O-OG 3.06Å; L19-S23 PolarHBondContact O-N 3.18Å; L19-S23 PolarHBondContact O-OG 3.49Å
20L56.6Low69.7Low104 Ų10486.8 Ų86.855%0.54547%0.465SS..Hα-helixtrans-72.7-36.1176.5-74163.8000112.2L16 C17 S23L16-L20 HydrophobicContact CD2-CD1 4.38Å; L16-L20 HydrophobicContact CG-CD1 4.42Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.12Å; L16-L20 PolarHBondContact O-N 3.17Å; C17-L20 PolarHBondContact O-N 3.46Å; L20-S23 PolarHBondContact O-OG 2.67Å; L20-S23 VanDerWaalsContact O-OG 3.06Å
21L51.4Low70Confident69 Ų6982.8 Ų82.836%0.36144%0.444SS..Hα-helixtrans-71.4-37.7174.5-74.5164.3000111.6C17 L18 V25 K524C17-L21 WeakPolarHBondContact O-CB 3.47Å; C17-L21 WeakPolarHBondContact O-CD1 3.45Å; C17-L21 VanDerWaalsContact O-CG 3.25Å; C17-L21 WeakPolarHBondContact O-CG 3.45Å; C17-L21 PolarHBondContact O-N 3.35Å; L18-L21 PolarHBondContact O-N 2.62Å; L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.39Å; L21-K524 HydrophobicContact CD2-CD 3.78Å
22S49.2Very low70.3Confident64 Ų6475.6 Ų75.645%0.44842%0.418SS..Hα-helixtrans-67.6-36.4178.967.30000112.2L18 L19 D26L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 2.8Å; L18-S22 PolarHBondContact O-OG 3.37Å; L19-S22 PolarHBondContact O-OG 2.87Å; L19-S22 VanDerWaalsContact O-OG 3.06Å; S22-D26 WeakPolarHBondContact O-CB 3.48Å; S22-D26 PolarHBondContact O-N 3.36Å; S22-D26 VanDerWaalsContact O-N 3.1Å
23S53Low70.9Confident69 Ų6973.9 Ų73.948%0.48341%0.409SS..Hα-helixtrans-69.7-34.4-179.7630000113.9L19 L20 A27L19-S23 PolarHBondContact O-N 3.18Å; L19-S23 PolarHBondContact O-OG 3.49Å; L20-S23 PolarHBondContact O-OG 2.67Å; L20-S23 VanDerWaalsContact O-OG 3.06Å; S23-A27 PolarHBondContact O-N 3.24Å
24L50.6Low71.4Confident117 Ų11766.5 Ų66.561%0.61338%0.38SS*.Hα-helixtrans-75.9-41.2177.3-71169.9000112.4D26L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.91Å
25V52.9Low72.2Confident104 Ų10462.6 Ų62.663%0.6336%0.359SS*.Hα-helixtrans-66.3-35.5177174.30000111.5L21 Q29L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.2Å; L21-V25 PolarHBondContact O-N 3.39Å; V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 PolarHBondContact O-N 3.37Å
26D62Low73Confident116 Ų11665.3 Ų65.362%0.6236%0.363SS*.Hα-helixtrans-69.8-36.3-179.1-157.18.2000112.1S22 L24 A30S22-D26 WeakPolarHBondContact O-CB 3.48Å; S22-D26 PolarHBondContact O-N 3.36Å; S22-D26 VanDerWaalsContact O-N 3.1Å; L24-D26 VanDerWaalsContact C-N 3.33Å; L24-D26 PolarHBondContact O-N 2.91Å; D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 2.72Å
27A60.8Low74Confident50 Ų5062.7 Ų62.741%0.41335%0.352SS..Hα-helixtrans-68.1-42.3179.700000113.3S23 A30 N31S23-A27 PolarHBondContact O-N 3.24Å; A27-A30 PolarHBondContact O-N 2.59Å; A27-N31 PolarHBondContact O-N 2.95Å; A27-N31 PolarHBondContact O-ND2 3.3Å
28D74.2Confident75.2Confident45 Ų4560.9 Ų60.924%0.24134%0.339CS..Hα-helixtrans-68.1-42.8178.9-11937.4000110.9N31 I32 N76D28-N31 PolarHBondContact O-N 2.94Å; D28-I32 WeakPolarHBondContact O-CG1 3.49Å; D28-I32 PolarHBondContact O-N 3.04Å; D28-N76 HydrophobicContact CB-CB 4.41Å; D28-N76 PolarHBondContact OD1-N 3.3Å; D28-N76 WeakPolarHBondContact OD2-CB 3.11Å; D28-N76 PolarHBondContact OD2-N 3.12Å; D28-N76 PolarHBondContact OD2-ND2 3.3Å
29Q86Confident76.7Confident72 Ų7258.4 Ų58.434%0.33632%0.324SS..Hα-helixtrans-65.8-39.1176.3-173.65246.200112V25 N31 I32 D33V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 PolarHBondContact O-N 3.37Å; Q29-N31 VanDerWaalsContact C-N 3.3Å; Q29-N31 PolarHBondContact O-N 3.45Å; Q29-I32 WeakPolarHBondContact O-CB 3.21Å; Q29-I32 PolarHBondContact O-N 3.35Å; Q29-D33 VanDerWaalsContact NE2-CG 3.28Å; Q29-D33 PolarHBondContact NE2-OD1 3.45Å; Q29-D33 PolarHBondContact NE2-OD2 3.2Å; Q29-D33 WeakPolarHBondContact O-CB 3.44Å; Q29-D33 PolarHBondContact O-N 2.88Å
30A90.4Very high78.3Confident28 Ų2857.5 Ų57.523%0.23133%0.327CS..Hα-helixtrans-59.8-37.6176.700000112.9D26 A27 D33 C34D26-A30 WeakPolarHBondContact O-CB 3.38Å; D26-A30 PolarHBondContact O-N 2.72Å; A27-A30 PolarHBondContact O-N 2.59Å; A30-D33 PolarHBondContact O-N 3.37Å; A30-C34 WeakPolarHBondContact O-CB 3.36Å; A30-C34 PolarHBondContact O-N 3.46Å
31N92Very high80.1Confident4 Ų456.2 Ų56.22%0.02132%0.319CS..Hα-helixtrans-72-37.5175.7-80.6-85.2000112.5A27 D28 Q29 D33 C34 L35 I62 N76 V78A27-N31 PolarHBondContact O-N 2.95Å; A27-N31 PolarHBondContact O-ND2 3.3Å; D28-N31 PolarHBondContact O-N 2.94Å; Q29-N31 VanDerWaalsContact C-N 3.3Å; Q29-N31 PolarHBondContact O-N 3.45Å; N31-D33 VanDerWaalsContact C-N 3.31Å; N31-C34 VanDerWaalsContact O-CB 3.26Å; N31-C34 WeakPolarHBondContact O-CB 3.4Å; N31-C34 PolarHBondContact O-N 2.98Å; N31-L35 PolarHBondContact O-N 2.88Å; N31-L35 VanDerWaalsContact O-N 3.14Å; N31-I62 HydrophobicContact CB-CD1 4.34Å; N31-N76 WeakPolarHBondContact CB-O 3.28Å; N31-N76 VanDerWaalsContact CG-O 3.23Å; N31-V78 HydrophobicContact CB-CG2 4.2Å; N31-V78 WeakPolarHBondContact OD1-CB 3.31Å; N31-V78 PolarHBondContact OD1-N 2.93Å
32I93.3Very high82.3Confident12 Ų1253.5 Ų53.56%0.06231%0.305CS..Hα-helixtrans-60.1-46.5171.2-67.2167.6000109.6D28 Q29 C34 L35 R36 F54 Y61 I62 N76D28-I32 WeakPolarHBondContact O-CG1 3.49Å; D28-I32 PolarHBondContact O-N 3.04Å; Q29-I32 WeakPolarHBondContact O-CB 3.21Å; Q29-I32 PolarHBondContact O-N 3.35Å; I32-C34 VanDerWaalsContact C-N 3.33Å; I32-C34 PolarHBondContact O-N 2.65Å; I32-L35 PolarHBondContact O-N 2.94Å; I32-R36 VanDerWaalsContact O-CB 3.27Å; I32-R36 WeakPolarHBondContact O-CB 3.2Å; I32-R36 PolarHBondContact O-N 3.43Å; I32-F54 HydrophobicContact CG2-CD1 4.05Å; I32-Y61 HydrophobicContact CD1-CE1 3.91Å; I32-Y61 HydrophobicContact CG1-CE1 4.25Å; I32-Y61 WeakPolarHBondContact CG2-OH 3.37Å; I32-I62 HydrophobicContact CG1-CD1 4.4Å; I32-I62 HydrophobicContact CG1-CG2 4.11Å; I32-N76 HydrophobicContact CD1-CB 4.29Å; I32-N76 HydrophobicContact CG1-CB 4.03Å
33D94.5Very high84.5Confident48 Ų4856 Ų5626%0.25731%0.309SS..Hα-helixtrans-68.3-31.5178.2-72.8-34.5000112.8Q29 A30 N31 R36 T37 L98Q29-D33 VanDerWaalsContact NE2-CG 3.28Å; Q29-D33 PolarHBondContact NE2-OD1 3.45Å; Q29-D33 PolarHBondContact NE2-OD2 3.2Å; Q29-D33 WeakPolarHBondContact O-CB 3.44Å; Q29-D33 PolarHBondContact O-N 2.88Å; A30-D33 PolarHBondContact O-N 3.37Å; N31-D33 VanDerWaalsContact C-N 3.31Å; D33-R36 IonicContact OD1-CZ 3.2Å; D33-R36 IonicContact OD1-NH1 2.7Å; D33-R36 PolarHBondContact OD1-NH1 3Å; D33-T37 WeakPolarHBondContact O-CB 3.36Å; D33-T37 PolarHBondContact O-N 3.29Å; D33-T37 PolarHBondContact O-OG1 3Å; D33-L98 HydrophobicContact CB-CD1 4.36Å
34C96.2Very high86.6Confident0 Ų054.5 Ų54.50%030%0.296CS..Hα-helixtrans-54.6-56.9169.5178.80000110.5A30 N31 I32 F38 A95 L98 C99A30-C34 WeakPolarHBondContact O-CB 3.36Å; A30-C34 PolarHBondContact O-N 3.46Å; N31-C34 VanDerWaalsContact O-CB 3.26Å; N31-C34 WeakPolarHBondContact O-CB 3.4Å; N31-C34 PolarHBondContact O-N 2.98Å; I32-C34 VanDerWaalsContact C-N 3.33Å; I32-C34 PolarHBondContact O-N 2.65Å; C34-F38 WeakPolarHBondContact O-CB 3.47Å; C34-F38 PolarHBondContact O-N 3.3Å; C34-A95 PolarHBondContact SG-O 2.76Å; C34-A95 VanDerWaalsContact SG-O 3.37Å; C34-L98 HydrophobicContact CB-CB 3.55Å; C34-C99 HydrophobicContact CB-CB 4.08Å; C34-C99 WeakPolarHBondContact CB-SG 3.35Å; C34-C99 WeakPolarHBondContact SG-CB 3.32Å; C34-C99 PolarHBondContact SG-N 3.16Å; C34-C99 CovalentContact SG-SG 2.03Å; C34-C99 PolarHBondContact SG-SG 3.29Å
35L97Very high88.5Confident0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-70.6-35.9-177.3-62.4-176.4000112.5N31 I32 F38 K39 W52 F54 I62 F65 V68 V78 I81N31-L35 PolarHBondContact O-N 2.88Å; N31-L35 VanDerWaalsContact O-N 3.14Å; I32-L35 PolarHBondContact O-N 2.94Å; L35-F38 PolarHBondContact O-N 2.91Å; L35-K39 WeakPolarHBondContact O-CB 2.97Å; L35-K39 PolarHBondContact O-N 3.3Å; L35-W52 HydrophobicContact CB-CE3 4.1Å; L35-W52 HydrophobicContact CB-CZ3 3.84Å; L35-W52 HydrophobicContact CD2-CH2 3.81Å; L35-W52 HydrophobicContact CD2-CZ3 3.87Å; L35-W52 HydrophobicContact CG-CZ3 4.35Å; L35-F54 HydrophobicContact CB-CE1 3.9Å; L35-F54 HydrophobicContact CB-CZ 3.94Å; L35-I62 HydrophobicContact CD1-CB 3.93Å; L35-I62 HydrophobicContact CD1-CD1 3.81Å; L35-I62 HydrophobicContact CD1-CG1 4.24Å; L35-F65 HydrophobicContact CD1-CD2 3.99Å; L35-F65 HydrophobicContact CD1-CE2 4.43Å; L35-V68 HydrophobicContact CD1-CG1 4.08Å; L35-V68 HydrophobicContact CD1-CG2 3.92Å; L35-V68 HydrophobicContact CD2-CG2 4.16Å; L35-V78 HydrophobicContact CD1-CG2 4.11Å; L35-V78 HydrophobicContact CD2-CG2 4.38Å; L35-V78 HydrophobicContact CG-CG2 4.23Å; L35-I81 HydrophobicContact CD2-CD1 3.82Å; L35-I81 HydrophobicContact CD2-CG1 4.3Å
36R96.3Very high90.1Very high97 Ų9750.7 Ų50.737%0.36628%0.277SS..Hα-helixtrans-63.7-47176.9-173.5-174.5-66.7157.3-10.9111.2I32 D33 K39 S40 F54I32-R36 VanDerWaalsContact O-CB 3.27Å; I32-R36 WeakPolarHBondContact O-CB 3.2Å; I32-R36 PolarHBondContact O-N 3.43Å; D33-R36 IonicContact OD1-CZ 3.2Å; D33-R36 IonicContact OD1-NH1 2.7Å; D33-R36 PolarHBondContact OD1-NH1 3Å; R36-K39 PolarHBondContact O-N 3.3Å; R36-S40 PolarHBondContact O-N 2.93Å; R36-F54 VanDerWaalsContact CA-CZ 3.41Å; R36-F54 HydrophobicContact CB-CD1 4.08Å; R36-F54 HydrophobicContact CB-CD2 4.43Å; R36-F54 HydrophobicContact CB-CE1 3.84Å; R36-F54 HydrophobicContact CB-CE2 4.24Å; R36-F54 HydrophobicContact CB-CG 4.36Å; R36-F54 HydrophobicContact CB-CZ 3.94Å; R36-F54 HydrophobicContact CG-CD2 4.32Å; R36-F54 HydrophobicContact CG-CE2 4.46Å; R36-F54 HydrophobicContact CG-CG 4.38Å; R36-F54 VanDerWaalsContact N-CZ 3.35Å
37T96.6Very high91.5Very high47 Ų4754.5 Ų54.529%0.28828%0.282SS..Hα-helixtrans-72-36.4177.8-51.30000111.2D33 K39 S40 Q41 A95D33-T37 WeakPolarHBondContact O-CB 3.36Å; D33-T37 PolarHBondContact O-N 3.29Å; D33-T37 PolarHBondContact O-OG1 3Å; T37-K39 VanDerWaalsContact C-N 3.33Å; T37-K39 PolarHBondContact O-N 3.31Å; T37-S40 PolarHBondContact O-N 3.19Å; T37-S40 PolarHBondContact O-OG 3.15Å; T37-Q41 HydrophobicContact CG2-CG 4.45Å; T37-Q41 VanDerWaalsContact O-CG 3.28Å; T37-Q41 WeakPolarHBondContact O-CG 3.35Å; T37-Q41 PolarHBondContact O-N 2.87Å; T37-Q41 VanDerWaalsContact O-N 3.09Å; T37-A95 HydrophobicContact CG2-CB 3.82Å
38F97.6Very high92.7Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-56.2-50.5171.5-177.9-74.5000110.4C34 L35 S40 Q41 V42 L49 W52 L83 P93 A95 V96 L107C34-F38 WeakPolarHBondContact O-CB 3.47Å; C34-F38 PolarHBondContact O-N 3.3Å; L35-F38 PolarHBondContact O-N 2.91Å; F38-S40 VanDerWaalsContact C-N 3.26Å; F38-S40 PolarHBondContact O-N 3.14Å; F38-Q41 PolarHBondContact O-N 3.03Å; F38-Q41 VanDerWaalsContact O-N 3.09Å; F38-V42 HydrophobicContact CD1-CG1 4.3Å; F38-V42 HydrophobicContact CD1-CG2 4.13Å; F38-V42 HydrophobicContact CE1-CG1 3.96Å; F38-V42 HydrophobicContact CE1-CG2 3.96Å; F38-V42 HydrophobicContact CZ-CG1 4.28Å; F38-V42 WeakPolarHBondContact O-CG2 3.36Å; F38-V42 PolarHBondContact O-N 3.15Å; F38-L49 HydrophobicContact CE1-CD1 4.45Å; F38-W52 HydrophobicContact CD1-CH2 4.05Å; F38-W52 AromaticContact CD1-CZ3 3.91Å; F38-W52 HydrophobicContact CD1-CZ3 3.91Å; F38-W52 HydrophobicContact CE1-CH2 4.33Å; F38-W52 HydrophobicContact CG-CZ3 4.48Å; F38-L83 HydrophobicContact CE1-CD1 3.58Å; F38-L83 HydrophobicContact CZ-CD1 3.62Å; F38-P93 HydrophobicContact CD2-CB 3.74Å; F38-P93 HydrophobicContact CD2-CG 3.77Å; F38-P93 HydrophobicContact CE2-CB 3.74Å; F38-P93 HydrophobicContact CE2-CG 3.26Å; F38-P93 HydrophobicContact CG-CB 4.48Å; F38-P93 HydrophobicContact CZ-CB 4.46Å; F38-P93 HydrophobicContact CZ-CG 3.96Å; F38-A95 HydrophobicContact CB-CB 4.16Å; F38-V96 HydrophobicContact CD2-CG1 3.83Å; F38-V96 HydrophobicContact CE2-CG1 3.96Å; F38-L107 HydrophobicContact CE2-CD2 4.44Å; F38-L107 HydrophobicContact CZ-CD2 4Å
39K96.9Very high93.5Very high65 Ų6554 Ų5428%0.28327%0.267SS..Hα-helixtrans-60.9-33.3179.9-174.2178.9177.7167.70112.6L35 R36 T37 L49 W52 F54L35-K39 WeakPolarHBondContact O-CB 2.97Å; L35-K39 PolarHBondContact O-N 3.3Å; R36-K39 PolarHBondContact O-N 3.3Å; T37-K39 VanDerWaalsContact C-N 3.33Å; T37-K39 PolarHBondContact O-N 3.31Å; K39-L49 VanDerWaalsContact CE-O 3.25Å; K39-L49 WeakPolarHBondContact CE-O 3.05Å; K39-L49 HydrophobicContact CG-CB 4.45Å; K39-L49 PolarHBondContact NZ-O 2.94Å; K39-W52 HydrophobicContact CB-CE3 4.14Å; K39-W52 HydrophobicContact CD-CB 4.07Å; K39-W52 PolarHBondContact NZ-O 2.58Å; K39-F54 HydrophobicContact CD-CE2 3.87Å
40S96.2Very high93.6Very high96 Ų9653.9 Ų53.967%0.67127%0.274SS*.Hα-helixtrans-77.9-20.8177.270.90000113.8R36 T37 F38R36-S40 PolarHBondContact O-N 2.93Å; T37-S40 PolarHBondContact O-N 3.19Å; T37-S40 PolarHBondContact O-OG 3.15Å; F38-S40 VanDerWaalsContact C-N 3.26Å; F38-S40 PolarHBondContact O-N 3.14Å
41Q95.6Very high93.4Very high78 Ų7856.1 Ų56.136%0.36429%0.285SS..Hα-helixtrans-89.9-12.9-179.8-73.4177.1-8.800114.3T37 F38 P94 A95T37-Q41 HydrophobicContact CG2-CG 4.45Å; T37-Q41 VanDerWaalsContact O-CG 3.28Å; T37-Q41 WeakPolarHBondContact O-CG 3.35Å; T37-Q41 PolarHBondContact O-N 2.87Å; T37-Q41 VanDerWaalsContact O-N 3.09Å; F38-Q41 PolarHBondContact O-N 3.03Å; F38-Q41 VanDerWaalsContact O-N 3.09Å; Q41-P94 VanDerWaalsContact OE1-CD 3.24Å; Q41-A95 VanDerWaalsContact OE1-CB 3.32Å
42V96.4Very high93.4Very high12 Ų1256 Ų567%0.07328%0.284CS..SBendtrans-114.4138.7-177.3-56.50000111.5F38 L49 L88 P93 F112F38-V42 HydrophobicContact CD1-CG1 4.3Å; F38-V42 HydrophobicContact CD1-CG2 4.13Å; F38-V42 HydrophobicContact CE1-CG1 3.96Å; F38-V42 HydrophobicContact CE1-CG2 3.96Å; F38-V42 HydrophobicContact CZ-CG1 4.28Å; F38-V42 WeakPolarHBondContact O-CG2 3.36Å; F38-V42 PolarHBondContact O-N 3.15Å; V42-L49 HydrophobicContact CG2-CD1 3.6Å; V42-L88 HydrophobicContact CG2-CD2 4.48Å; V42-P93 HydrophobicContact CG1-CB 4.3Å; V42-F112 HydrophobicContact CB-CE1 4.49Å; V42-F112 HydrophobicContact CG1-CE1 3.85Å; V42-F112 HydrophobicContact CG1-CZ 4.21Å
43E96.9Very high93.4Very high117 Ų11759.8 Ų59.855%0.54731%0.308SS..BIsolated β-bridgetrans-82.7125.6170.1-60.9173.5-154.200109.5P45 L88 R89E43-P45 WeakPolarHBondContact O-CD 3.34Å; E43-L88 CarbonylContact O-C 3.51Å; E43-L88 WeakPolarHBondContact O-CA 3.41Å; E43-R89 HydrophobicContact CB-CB 4.01Å; E43-R89 HydrophobicContact CB-CG 4.49Å; E43-R89 PolarHBondContact N-O 2.81Å; E43-R89 PolarHBondContact O-N 2.89Å; E43-R89 WeakPolarHBondContact OE2-CD 3.18Å
44D95.5Very high93.2Very high36 Ų3659.6 Ų59.619%0.19331%0.305CS..  trans-115.377.2179.4176.923.2000111.5N46 R47 Y48 L49 L88D44-N46 PolarHBondContact O-N 3.45Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 VanDerWaalsContact O-N 3.12Å; D44-R47 PolarHBondContact OD1-N 3.36Å; D44-R47 WeakPolarHBondContact OD2-CA 3.35Å; D44-Y48 VanDerWaalsContact CG-N 3.34Å; D44-Y48 PolarHBondContact OD1-N 2.84Å; D44-Y48 PolarHBondContact OD2-N 3.26Å; D44-L49 HydrophobicContact CB-CD1 4.36Å; D44-L49 HydrophobicContact CB-CG 4.34Å; D44-L49 WeakPolarHBondContact OD2-CA 3.49Å; D44-L49 WeakPolarHBondContact OD2-CB 3.42Å; D44-L49 PolarHBondContact OD2-N 3.37Å; D44-L88 HydrophobicContact CB-CD2 3.78Å
45P92.1Very high92.6Very high72 Ų7263 Ų6347%0.46834%0.34SS..THydrogen-bonded Turntrans-65.8-22.6-175.927-35.7000113.3E43 G87E43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-G87 WeakPolarHBondContact CD-O 3.4Å; P45-G87 WeakPolarHBondContact CG-O 3.35Å
46N86.1Confident91.8Very high70 Ų7066.7 Ų66.737%0.37436%0.359SS..THydrogen-bonded Turntrans-91.1-3.9179.5-68.1-41.6000113D44 Y48 Y86D44-N46 PolarHBondContact O-N 3.45Å; N46-Y48 HydrophobicContact CB-CD2 3.78Å; N46-Y48 HydrophobicContact CB-CE2 4.09Å; N46-Y48 HydrophobicContact CB-CG 4.33Å; N46-Y48 PolarHBondContact O-N 3.3Å; N46-Y86 PolarHBondContact ND2-O 2.82Å
47R91.3Very high91Very high195 Ų19571.2 Ų71.274%0.73639%0.385SS*.  trans57.531.9-178.1-57.1-176.5177.5-176.8-1.5113.5D44 S50D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 VanDerWaalsContact O-N 3.12Å; D44-R47 PolarHBondContact OD1-N 3.36Å; D44-R47 WeakPolarHBondContact OD2-CA 3.35Å; R47-S50 VanDerWaalsContact O-CB 3.27Å; R47-S50 WeakPolarHBondContact O-CB 3.41Å; R47-S50 PolarHBondContact O-N 2.9Å; R47-S50 PolarHBondContact O-OG 3.41Å
48Y84.9Confident90.3Very high83 Ų8373.1 Ų73.133%0.32540%0.396SS..G310 helixtrans-74.4-26.7178.1-78-46.9000114.1D44 N46 S50 Y86 K260D44-Y48 VanDerWaalsContact CG-N 3.34Å; D44-Y48 PolarHBondContact OD1-N 2.84Å; D44-Y48 PolarHBondContact OD2-N 3.26Å; N46-Y48 HydrophobicContact CB-CD2 3.78Å; N46-Y48 HydrophobicContact CB-CE2 4.09Å; N46-Y48 HydrophobicContact CB-CG 4.33Å; N46-Y48 PolarHBondContact O-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.39Å; Y48-Y86 HydrophobicContact CD2-CD1 4.04Å; Y48-Y86 HydrophobicContact CD2-CG 4.03Å; Y48-Y86 VanDerWaalsContact CD2-O 3.29Å; Y48-Y86 WeakPolarHBondContact CD2-O 3.12Å; Y48-Y86 HydrophobicContact CG-CD1 4.01Å; Y48-Y86 HydrophobicContact CG-CE1 4.47Å; Y48-Y86 HydrophobicContact CG-CG 4.46Å; Y48-K260 HydrophobicContact CE1-CD 4.34Å; Y48-K260 WeakPolarHBondContact OH-CD 3.43Å; Y48-K260 WeakPolarHBondContact OH-CE 3.21Å; Y48-K260 PolarHBondContact OH-NZ 3.2Å
49L91Very high89.5Confident1 Ų175.5 Ų75.51%0.00542%0.416CS..G310 helixtrans-83.24.1172.9-51.5-175.9000111.6F38 K39 V42 D44 T51 W52 L83 Y86 L88F38-L49 HydrophobicContact CE1-CD1 4.45Å; K39-L49 VanDerWaalsContact CE-O 3.25Å; K39-L49 WeakPolarHBondContact CE-O 3.05Å; K39-L49 HydrophobicContact CG-CB 4.45Å; K39-L49 PolarHBondContact NZ-O 2.94Å; V42-L49 HydrophobicContact CG2-CD1 3.6Å; D44-L49 HydrophobicContact CB-CD1 4.36Å; D44-L49 HydrophobicContact CB-CG 4.34Å; D44-L49 WeakPolarHBondContact OD2-CA 3.49Å; D44-L49 WeakPolarHBondContact OD2-CB 3.42Å; D44-L49 PolarHBondContact OD2-N 3.37Å; L49-T51 PolarHBondContact O-N 3.16Å; L49-W52 HydrophobicContact CB-CD2 4.48Å; L49-W52 HydrophobicContact CB-CG 4.48Å; L49-W52 HydrophobicContact CD2-CD2 4.31Å; L49-W52 HydrophobicContact CD2-CH2 4.41Å; L49-W52 HydrophobicContact CD2-CZ2 3.87Å; L49-W52 WeakPolarHBondContact O-CB 3.21Å; L49-W52 PolarHBondContact O-N 3Å; L49-L83 HydrophobicContact CD2-CD1 4.24Å; L49-L83 HydrophobicContact CD2-CD2 3.86Å; L49-Y86 HydrophobicContact CD2-CD1 4.1Å; L49-Y86 HydrophobicContact CD2-CE1 4.35Å; L49-L88 HydrophobicContact CD1-CD1 4.4Å; L49-L88 HydrophobicContact CD1-CD2 3.8Å; L49-L88 HydrophobicContact CG-CD2 4.04Å
50S89Confident88.6Confident70 Ų7072.5 Ų72.549%0.4940%0.403SS..G310 helixtrans-62.8-25.7176.672.40000112.3R47 Y48 W52R47-S50 VanDerWaalsContact O-CB 3.27Å; R47-S50 WeakPolarHBondContact O-CB 3.41Å; R47-S50 PolarHBondContact O-N 2.9Å; R47-S50 PolarHBondContact O-OG 3.41Å; Y48-S50 PolarHBondContact O-N 3.39Å; S50-W52 PolarHBondContact O-N 3.09Å
51T85.7Confident88.3Confident75 Ų7568.6 Ų68.646%0.4637%0.374SS..G310 helixtrans-70.1-13.617668.40000113.1L49 V53L49-T51 PolarHBondContact O-N 3.16Å; T51-V53 PolarHBondContact O-N 3.13Å
52W93.1Very high88.1Confident1 Ų164.9 Ų64.90%0.00436%0.357CS..  trans-79.588.5176.6-63.921.2000109.3L35 F38 K39 L49 S50 F54 F65 S66 V68 L83L35-W52 HydrophobicContact CB-CE3 4.1Å; L35-W52 HydrophobicContact CB-CZ3 3.84Å; L35-W52 HydrophobicContact CD2-CH2 3.81Å; L35-W52 HydrophobicContact CD2-CZ3 3.87Å; L35-W52 HydrophobicContact CG-CZ3 4.35Å; F38-W52 HydrophobicContact CD1-CH2 4.05Å; F38-W52 AromaticContact CD1-CZ3 3.91Å; F38-W52 HydrophobicContact CD1-CZ3 3.91Å; F38-W52 HydrophobicContact CE1-CH2 4.33Å; F38-W52 HydrophobicContact CG-CZ3 4.48Å; K39-W52 HydrophobicContact CB-CE3 4.14Å; K39-W52 HydrophobicContact CD-CB 4.07Å; K39-W52 PolarHBondContact NZ-O 2.58Å; L49-W52 HydrophobicContact CB-CD2 4.48Å; L49-W52 HydrophobicContact CB-CG 4.48Å; L49-W52 HydrophobicContact CD2-CD2 4.31Å; L49-W52 HydrophobicContact CD2-CH2 4.41Å; L49-W52 HydrophobicContact CD2-CZ2 3.87Å; L49-W52 WeakPolarHBondContact O-CB 3.21Å; L49-W52 PolarHBondContact O-N 3Å; S50-W52 PolarHBondContact O-N 3.09Å; W52-F54 HydrophobicContact CB-CE2 4.04Å; W52-F54 HydrophobicContact CB-CZ 4.2Å; W52-F54 HydrophobicContact CE3-CZ 4.15Å; W52-F65 HydrophobicContact CB-CD2 3.74Å; W52-F65 HydrophobicContact CB-CE2 3.76Å; W52-F65 HydrophobicContact CB-CG 4.15Å; W52-F65 HydrophobicContact CB-CZ 4.16Å; W52-F65 VanDerWaalsContact CD1-CB 3.49Å; W52-F65 AromaticContact CD1-CD2 3.86Å; W52-F65 AromaticContact CD1-CG 3.67Å; W52-F65 HydrophobicContact CD2-CB 4.39Å; W52-F65 AromaticContact CD2-CD2 3.81Å; W52-F65 HydrophobicContact CD2-CD2 3.81Å; W52-F65 HydrophobicContact CD2-CE2 4.48Å; W52-F65 HydrophobicContact CD2-CG 4.37Å; W52-F65 HydrophobicContact CE3-CD2 4.38Å; W52-F65 HydrophobicContact CG-CB 4.04Å; W52-F65 AromaticContact CG-CD2 3.51Å; W52-F65 HydrophobicContact CG-CD2 3.51Å; W52-F65 HydrophobicContact CG-CE2 4.06Å; W52-F65 AromaticContact CG-CG 3.8Å; W52-F65 HydrophobicContact CG-CG 3.8Å; W52-S66 PolarHBondContact NE1-O 3.09Å; W52-V68 HydrophobicContact CH2-CG2 4.06Å; W52-V68 HydrophobicContact CZ2-CG2 3.48Å; W52-V68 VanDerWaalsContact CZ2-CG2 3.48Å; W52-L83 HydrophobicContact CH2-CD1 4.21Å; W52-L83 HydrophobicContact CZ2-CD1 4.25Å; W52-L83 HydrophobicContact CZ2-CD2 4.16Å
53V91.7Very high87.5Confident93 Ų9364.9 Ų64.956%0.56436%0.357SS*.  trans-106.4115.2-178.3-177.80000109.3T51 G55 Y61 F65T51-V53 PolarHBondContact O-N 3.13Å; V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.48Å; V53-Y61 WeakPolarHBondContact O-CE2 3.49Å; V53-F65 WeakPolarHBondContact O-CZ 3.41Å
54F91.9Very high87Confident44 Ų4467.5 Ų67.519%0.19337%0.367CS..  trans-93.629.8-171.7-62.8-82.8000114.3I32 L35 R36 K39 W52 F65I32-F54 HydrophobicContact CG2-CD1 4.05Å; L35-F54 HydrophobicContact CB-CE1 3.9Å; L35-F54 HydrophobicContact CB-CZ 3.94Å; R36-F54 VanDerWaalsContact CA-CZ 3.41Å; R36-F54 HydrophobicContact CB-CD1 4.08Å; R36-F54 HydrophobicContact CB-CD2 4.43Å; R36-F54 HydrophobicContact CB-CE1 3.84Å; R36-F54 HydrophobicContact CB-CE2 4.24Å; R36-F54 HydrophobicContact CB-CG 4.36Å; R36-F54 HydrophobicContact CB-CZ 3.94Å; R36-F54 HydrophobicContact CG-CD2 4.32Å; R36-F54 HydrophobicContact CG-CE2 4.46Å; R36-F54 HydrophobicContact CG-CG 4.38Å; R36-F54 VanDerWaalsContact N-CZ 3.35Å; K39-F54 HydrophobicContact CD-CE2 3.87Å; W52-F54 HydrophobicContact CB-CE2 4.04Å; W52-F54 HydrophobicContact CB-CZ 4.2Å; W52-F54 HydrophobicContact CE3-CZ 4.15Å; F54-F65 HydrophobicContact CD1-CE2 4.17Å; F54-F65 HydrophobicContact CD1-CZ 4.38Å; F54-F65 AromaticContact CE1-CE2 3.64Å; F54-F65 HydrophobicContact CE1-CE2 3.64Å; F54-F65 HydrophobicContact CE1-CZ 4.29Å; F54-F65 AromaticContact CZ-CE2 3.82Å; F54-F65 HydrophobicContact CZ-CE2 3.82Å
55G83.1Confident86.8Confident71 Ų7166.4 Ų66.473%0.73236%0.36SS*.  trans-109.59.7-177.200000114.4V53V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.48Å
56N80.3Confident86.5Confident77 Ų7765.3 Ų65.341%0.41235%0.354SS..  trans-101.7140.9178.9-169.3-3.2000109.8T58 Y61N56-T58 WeakPolarHBondContact OD1-CB 3.34Å; N56-T58 PolarHBondContact OD1-N 2.92Å; N56-T58 PolarHBondContact OD1-OG1 3.29Å; N56-Y61 HydrophobicContact CB-CD1 4.38Å; N56-Y61 HydrophobicContact CB-CD2 3.73Å; N56-Y61 HydrophobicContact CB-CE2 4.26Å; N56-Y61 HydrophobicContact CB-CG 3.77Å; N56-Y61 WeakPolarHBondContact ND2-CB 3.32Å; N56-Y61 WeakPolarHBondContact O-CD1 3.05Å; N56-Y61 WeakPolarHBondContact O-CE1 3.45Å
57E79.3Confident86.5Confident193 Ų19362.8 Ų62.890%0.90235%0.345SS*.  trans-104.2-3.7178.2-62.2-178.5175.700112.4A59E57-A59 PolarHBondContact O-N 3.27Å
58T81.7Confident86.5Confident86 Ų8654 Ų5453%0.52831%0.313SS..SBendtrans-65.5127.7175.3-49.80000110.3N56 G60 Y61N56-T58 WeakPolarHBondContact OD1-CB 3.34Å; N56-T58 PolarHBondContact OD1-N 2.92Å; N56-T58 PolarHBondContact OD1-OG1 3.29Å; T58-G60 PolarHBondContact O-N 3.3Å; T58-Y61 WeakPolarHBondContact O-CB 3.23Å; T58-Y61 WeakPolarHBondContact O-CD1 3.32Å; T58-Y61 PolarHBondContact O-N 2.7Å
59A79.6Confident86.4Confident51 Ų5152.5 Ų52.542%0.42131%0.313SS..THydrogen-bonded Turntrans-54.2137.917500000111.5E57 Y61 D74E57-A59 PolarHBondContact O-N 3.27Å; A59-Y61 VanDerWaalsContact C-N 3.28Å; A59-Y61 PolarHBondContact O-N 3.38Å; A59-D74 CarbonylContact C-O 3.34Å; A59-D74 VanDerWaalsContact C-O 3.3Å; A59-D74 WeakPolarHBondContact CB-O 3.5Å
60G79.7Confident85.9Confident1 Ų153 Ų531%0.0132%0.316CS..THydrogen-bonded Turntrans73.86.8-178.500000116.2T58 I62 C63 D73 D74 E75 N76T58-G60 PolarHBondContact O-N 3.3Å; G60-I62 PolarHBondContact O-N 3.23Å; G60-I62 VanDerWaalsContact O-N 3.13Å; G60-C63 WeakPolarHBondContact O-CB 3.32Å; G60-C63 PolarHBondContact O-N 3.06Å; G60-C63 PolarHBondContact O-SG 3.09Å; G60-D73 CarbonylContact C-O 3.5Å; G60-D73 WeakPolarHBondContact CA-O 3.4Å; G60-D74 VanDerWaalsContact CA-C 3.49Å; G60-D74 PolarHBondContact N-O 2.85Å; G60-E75 VanDerWaalsContact CA-N 3.34Å; G60-N76 PolarHBondContact N-OD1 3.47Å
61Y88.5Confident85.2Confident15 Ų1552.5 Ų52.56%0.05930%0.304CS..G310 helixtrans-57.6-32.3179.278.6-83.1000113.5I32 V53 N56 T58 A59 C63 K64 F65 N76I32-Y61 HydrophobicContact CD1-CE1 3.91Å; I32-Y61 HydrophobicContact CG1-CE1 4.25Å; I32-Y61 WeakPolarHBondContact CG2-OH 3.37Å; V53-Y61 WeakPolarHBondContact O-CE2 3.49Å; N56-Y61 HydrophobicContact CB-CD1 4.38Å; N56-Y61 HydrophobicContact CB-CD2 3.73Å; N56-Y61 HydrophobicContact CB-CE2 4.26Å; N56-Y61 HydrophobicContact CB-CG 3.77Å; N56-Y61 WeakPolarHBondContact ND2-CB 3.32Å; N56-Y61 WeakPolarHBondContact O-CD1 3.05Å; N56-Y61 WeakPolarHBondContact O-CE1 3.45Å; T58-Y61 WeakPolarHBondContact O-CB 3.23Å; T58-Y61 WeakPolarHBondContact O-CD1 3.32Å; T58-Y61 PolarHBondContact O-N 2.7Å; A59-Y61 VanDerWaalsContact C-N 3.28Å; A59-Y61 PolarHBondContact O-N 3.38Å; Y61-C63 PolarHBondContact O-N 3.34Å; Y61-K64 PolarHBondContact O-N 3.17Å; Y61-F65 HydrophobicContact CD2-CE1 4.11Å; Y61-F65 HydrophobicContact CD2-CZ 4Å; Y61-F65 HydrophobicContact CE2-CE1 4.32Å; Y61-F65 AromaticContact CE2-CZ 3.75Å; Y61-F65 HydrophobicContact CE2-CZ 3.75Å; Y61-N76 WeakPolarHBondContact CD1-OD1 3.32Å
62I91.5Very high84.2Confident0 Ų050 Ų500%029%0.287CS..G310 helixtrans-69-18.2177.770.3174.4000112.6N31 I32 L35 G60 K64 F65 N76 V78N31-I62 HydrophobicContact CB-CD1 4.34Å; I32-I62 HydrophobicContact CG1-CD1 4.4Å; I32-I62 HydrophobicContact CG1-CG2 4.11Å; L35-I62 HydrophobicContact CD1-CB 3.93Å; L35-I62 HydrophobicContact CD1-CD1 3.81Å; L35-I62 HydrophobicContact CD1-CG1 4.24Å; G60-I62 PolarHBondContact O-N 3.23Å; G60-I62 VanDerWaalsContact O-N 3.13Å; I62-K64 PolarHBondContact O-N 3Å; I62-F65 HydrophobicContact CB-CD2 3.98Å; I62-F65 HydrophobicContact CB-CE2 3.88Å; I62-F65 HydrophobicContact CB-CG 4.49Å; I62-F65 HydrophobicContact CB-CZ 4.33Å; I62-F65 HydrophobicContact CG2-CD2 4.36Å; I62-F65 HydrophobicContact CG2-CE2 3.75Å; I62-F65 HydrophobicContact CG2-CZ 4Å; I62-F65 WeakPolarHBondContact O-CB 3.18Å; I62-F65 VanDerWaalsContact O-CG 3.23Å; I62-F65 WeakPolarHBondContact O-CG 3.32Å; I62-F65 PolarHBondContact O-N 3.22Å; I62-N76 HydrophobicContact CD1-CB 3.63Å; I62-N76 WeakPolarHBondContact CD1-O 3.41Å; I62-N76 HydrophobicContact CG1-CB 3.96Å; I62-N76 WeakPolarHBondContact CG1-OD1 3.01Å; I62-V78 HydrophobicContact CD1-CG2 3.99Å
63C84.6Confident83.1Confident12 Ų1254.8 Ų54.88%0.08131%0.312CS..G310 helixtrans-73.4-18.1-179.2-49.50000112.2G60 Y61 F65 C70 H72 E75G60-C63 WeakPolarHBondContact O-CB 3.32Å; G60-C63 PolarHBondContact O-N 3.06Å; G60-C63 PolarHBondContact O-SG 3.09Å; Y61-C63 PolarHBondContact O-N 3.34Å; C63-F65 VanDerWaalsContact C-N 3.25Å; C63-C70 WeakPolarHBondContact CA-SG 3.45Å; C63-C70 HydrophobicContact CB-CB 3.6Å; C63-C70 WeakPolarHBondContact CB-SG 3.07Å; C63-C70 WeakPolarHBondContact SG-CB 3.36Å; C63-C70 CovalentContact SG-SG 2.02Å; C63-C70 PolarHBondContact SG-SG 3.16Å; C63-H72 PolarHBondContact SG-O 3.08Å; C63-E75 PolarHBondContact SG-O 2.78Å
64K85.8Confident82.1Confident171 Ų17154.8 Ų54.874%0.74331%0.309SS*.G310 helixtrans-82.6-3.7171.9-61.2175.9-177.7170.60112.4Y61 I62Y61-K64 PolarHBondContact O-N 3.17Å; I62-K64 PolarHBondContact O-N 3Å
65F92.2Very high81.2Confident14 Ų1455.3 Ų55.36%0.06131%0.312CS..SBendtrans-69.7138.6179-72.6-1.1000111.4L35 W52 V53 F54 Y61 I62 C63 G67 V68L35-F65 HydrophobicContact CD1-CD2 3.99Å; L35-F65 HydrophobicContact CD1-CE2 4.43Å; W52-F65 HydrophobicContact CB-CD2 3.74Å; W52-F65 HydrophobicContact CB-CE2 3.76Å; W52-F65 HydrophobicContact CB-CG 4.15Å; W52-F65 HydrophobicContact CB-CZ 4.16Å; W52-F65 VanDerWaalsContact CD1-CB 3.49Å; W52-F65 AromaticContact CD1-CD2 3.86Å; W52-F65 AromaticContact CD1-CG 3.67Å; W52-F65 HydrophobicContact CD2-CB 4.39Å; W52-F65 AromaticContact CD2-CD2 3.81Å; W52-F65 HydrophobicContact CD2-CD2 3.81Å; W52-F65 HydrophobicContact CD2-CE2 4.48Å; W52-F65 HydrophobicContact CD2-CG 4.37Å; W52-F65 HydrophobicContact CE3-CD2 4.38Å; W52-F65 HydrophobicContact CG-CB 4.04Å; W52-F65 AromaticContact CG-CD2 3.51Å; W52-F65 HydrophobicContact CG-CD2 3.51Å; W52-F65 HydrophobicContact CG-CE2 4.06Å; W52-F65 AromaticContact CG-CG 3.8Å; W52-F65 HydrophobicContact CG-CG 3.8Å; V53-F65 WeakPolarHBondContact O-CZ 3.41Å; F54-F65 HydrophobicContact CD1-CE2 4.17Å; F54-F65 HydrophobicContact CD1-CZ 4.38Å; F54-F65 AromaticContact CE1-CE2 3.64Å; F54-F65 HydrophobicContact CE1-CE2 3.64Å; F54-F65 HydrophobicContact CE1-CZ 4.29Å; F54-F65 AromaticContact CZ-CE2 3.82Å; F54-F65 HydrophobicContact CZ-CE2 3.82Å; Y61-F65 HydrophobicContact CD2-CE1 4.11Å; Y61-F65 HydrophobicContact CD2-CZ 4Å; Y61-F65 HydrophobicContact CE2-CE1 4.32Å; Y61-F65 AromaticContact CE2-CZ 3.75Å; Y61-F65 HydrophobicContact CE2-CZ 3.75Å; I62-F65 HydrophobicContact CB-CD2 3.98Å; I62-F65 HydrophobicContact CB-CE2 3.88Å; I62-F65 HydrophobicContact CB-CG 4.49Å; I62-F65 HydrophobicContact CB-CZ 4.33Å; I62-F65 HydrophobicContact CG2-CD2 4.36Å; I62-F65 HydrophobicContact CG2-CE2 3.75Å; I62-F65 HydrophobicContact CG2-CZ 4Å; I62-F65 WeakPolarHBondContact O-CB 3.18Å; I62-F65 VanDerWaalsContact O-CG 3.23Å; I62-F65 WeakPolarHBondContact O-CG 3.32Å; I62-F65 PolarHBondContact O-N 3.22Å; C63-F65 VanDerWaalsContact C-N 3.25Å; F65-G67 PolarHBondContact O-N 2.94Å; F65-V68 HydrophobicContact CB-CB 4.01Å; F65-V68 HydrophobicContact CB-CG2 3.75Å; F65-V68 PolarHBondContact O-N 3.38Å
66S85.5Confident81.3Confident48 Ų4852.3 Ų52.334%0.33628%0.279SS..THydrogen-bonded Turntrans-56.6125.4178-167.30000110.6W52 V68 Y86W52-S66 PolarHBondContact NE1-O 3.09Å; S66-V68 VanDerWaalsContact C-N 3.25Å; S66-V68 PolarHBondContact O-N 3.44Å; S66-Y86 PolarHBondContact OG-OH 2.61Å
67G86.2Confident81.4Confident18 Ų1852.6 Ų52.619%0.18627%0.274CS..THydrogen-bonded Turntrans76.83.4179.500000115F65 I81 K82 Y86F65-G67 PolarHBondContact O-N 2.94Å; G67-I81 CarbonylContact O-C 3.59Å; G67-I81 WeakPolarHBondContact O-CA 3.36Å; G67-K82 VanDerWaalsContact CA-O 3.24Å; G67-K82 WeakPolarHBondContact CA-O 3.32Å; G67-K82 PolarHBondContact O-N 3.36Å; G67-Y86 PolarHBondContact N-OH 3.15Å
68V90.4Very high81.9Confident9 Ų943.4 Ų43.46%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-99.4135.9172.3-179.30000108.3L35 W52 F65 S66 V78L35-V68 HydrophobicContact CD1-CG1 4.08Å; L35-V68 HydrophobicContact CD1-CG2 3.92Å; L35-V68 HydrophobicContact CD2-CG2 4.16Å; W52-V68 HydrophobicContact CH2-CG2 4.06Å; W52-V68 HydrophobicContact CZ2-CG2 3.48Å; W52-V68 VanDerWaalsContact CZ2-CG2 3.48Å; F65-V68 HydrophobicContact CB-CB 4.01Å; F65-V68 HydrophobicContact CB-CG2 3.75Å; F65-V68 PolarHBondContact O-N 3.38Å; S66-V68 VanDerWaalsContact C-N 3.25Å; S66-V68 PolarHBondContact O-N 3.44Å; V68-V78 HydrophobicContact CG1-CG1 4.37Å; V68-V78 HydrophobicContact CG1-CG2 4.31Å
69T84Confident82Confident53 Ų5340 Ų4033%0.32521%0.21SC..EExtended strand (participates in β ladder)trans-125.3125.7166.3-550000106.7L79 S80T69-L79 HydrophobicContact CG2-CD2 4.27Å; T69-L79 WeakPolarHBondContact O-CA 3.27Å; T69-L79 WeakPolarHBondContact O-CB 3.18Å; T69-L79 PolarHBondContact O-N 3.18Å; T69-S80 PolarHBondContact N-O 3.42Å; T69-S80 PolarHBondContact O-N 2.77Å
70C80.8Confident82.5Confident12 Ų1238 Ų388%0.08119%0.193CC..EExtended strand (participates in β ladder)trans-91.8168.4173.7-65.70000110.9C63 H72 R77C63-C70 WeakPolarHBondContact CA-SG 3.45Å; C63-C70 HydrophobicContact CB-CB 3.6Å; C63-C70 WeakPolarHBondContact CB-SG 3.07Å; C63-C70 WeakPolarHBondContact SG-CB 3.36Å; C63-C70 CovalentContact SG-SG 2.02Å; C63-C70 PolarHBondContact SG-SG 3.16Å; C70-H72 WeakPolarHBondContact CB-O 3.19Å; C70-H72 PolarHBondContact O-N 2.04Å; C70-R77 CarbonylContact C-O 3.3Å; C70-R77 WeakPolarHBondContact CA-O 3.28Å; C70-R77 WeakPolarHBondContact CB-O 3.3Å
71W74.6Confident83.2Confident59 Ų5937.9 Ų37.922%0.22319%0.192CC..SBendtrans-64.7-27.7167.8-70.891.2000112.1R77 L79 T103 G467W71-R77 HydrophobicContact CG-CG 4.43Å; W71-R77 PolarHBondContact N-O 2.8Å; W71-L79 HydrophobicContact CD2-CB 4.16Å; W71-L79 HydrophobicContact CD2-CD1 3.74Å; W71-L79 HydrophobicContact CD2-CG 4.43Å; W71-L79 HydrophobicContact CE3-CD1 3.97Å; W71-L79 HydrophobicContact CG-CB 4.02Å; W71-L79 HydrophobicContact CG-CD1 4.48Å; W71-L79 HydrophobicContact CH2-CD1 3.62Å; W71-L79 HydrophobicContact CZ2-CD1 3.36Å; W71-L79 HydrophobicContact CZ3-CD1 3.91Å; W71-T103 HydrophobicContact CH2-CG2 4.27Å; W71-T103 HydrophobicContact CZ2-CG2 3.78Å; W71-G467 WeakPolarHBondContact CH2-O 3.25Å; W71-G467 WeakPolarHBondContact CZ3-O 3.39Å
72H63.2Low83.3Confident23 Ų2341.1 Ų41.111%0.10621%0.206CC..SBendtrans-147.6155.3174.1-166.7-109000111.6C63 C70 D74 E75 F472C63-H72 PolarHBondContact SG-O 3.08Å; C70-H72 WeakPolarHBondContact CB-O 3.19Å; C70-H72 PolarHBondContact O-N 2.04Å; H72-D74 VanDerWaalsContact C-N 3.28Å; H72-D74 IonicContact CE1-OD2 3.47Å; H72-D74 PolarHBondContact CE1-OD2 2.83Å; H72-D74 WeakPolarHBondContact ND1-CB 3.32Å; H72-D74 PolarHBondContact ND1-N 2.99Å; H72-D74 IonicContact ND1-OD2 2.83Å; H72-D74 PolarHBondContact O-N 2.78Å; H72-E75 HydrophobicContact CB-CB 4.45Å; H72-F472 HydrophobicContact CB-CB 3.74Å; H72-F472 HydrophobicContact CB-CD1 4.06Å; H72-F472 HydrophobicContact CB-CG 3.95Å
73D70.8Confident83.3Confident101 Ų10141.1 Ų41.154%0.5421%0.206SC..THydrogen-bonded Turntrans-73.1-18.8179.4-73.3-30000113.7G60G60-D73 CarbonylContact C-O 3.5Å; G60-D73 WeakPolarHBondContact CA-O 3.4Å
74D70.2Confident83.5Confident92 Ų9242.5 Ų42.549%0.49222%0.217SC..THydrogen-bonded Turntrans-109.112-176.8-54.9-40000113.6A59 G60 H72A59-D74 CarbonylContact C-O 3.34Å; A59-D74 VanDerWaalsContact C-O 3.3Å; A59-D74 WeakPolarHBondContact CB-O 3.5Å; G60-D74 VanDerWaalsContact CA-C 3.49Å; G60-D74 PolarHBondContact N-O 2.85Å; H72-D74 VanDerWaalsContact C-N 3.28Å; H72-D74 IonicContact CE1-OD2 3.47Å; H72-D74 PolarHBondContact CE1-OD2 2.83Å; H72-D74 WeakPolarHBondContact ND1-CB 3.32Å; H72-D74 PolarHBondContact ND1-N 2.99Å; H72-D74 IonicContact ND1-OD2 2.83Å; H72-D74 PolarHBondContact O-N 2.78Å
75E73.7Confident83.5Confident55 Ų5536.2 Ų36.226%0.25720%0.2SC..SBendtrans-134.4143.2176.7-67.6-174.8177.100111.1G60 C63 H72 R77 F472G60-E75 VanDerWaalsContact CA-N 3.34Å; C63-E75 PolarHBondContact SG-O 2.78Å; H72-E75 HydrophobicContact CB-CB 4.45Å; E75-R77 PolarHBondContact O-N 3.09Å; E75-F472 VanDerWaalsContact CD-CE1 3.45Å; E75-F472 WeakPolarHBondContact OE1-CE1 3.32Å; E75-F472 WeakPolarHBondContact OE1-CZ 3.45Å; E75-F472 WeakPolarHBondContact OE2-CE1 3.49Å; E75-F472 WeakPolarHBondContact OE2-CZ 3.19Å
76N85.2Confident83.4Confident8 Ų837.2 Ų37.24%0.04320%0.204CC..  trans-80.734.5-177.1-59.1-63.6000112.6D28 N31 I32 G60 Y61 I62D28-N76 HydrophobicContact CB-CB 4.41Å; D28-N76 PolarHBondContact OD1-N 3.3Å; D28-N76 WeakPolarHBondContact OD2-CB 3.11Å; D28-N76 PolarHBondContact OD2-N 3.12Å; D28-N76 PolarHBondContact OD2-ND2 3.3Å; N31-N76 WeakPolarHBondContact CB-O 3.28Å; N31-N76 VanDerWaalsContact CG-O 3.23Å; I32-N76 HydrophobicContact CD1-CB 4.29Å; I32-N76 HydrophobicContact CG1-CB 4.03Å; G60-N76 PolarHBondContact N-OD1 3.47Å; Y61-N76 WeakPolarHBondContact CD1-OD1 3.32Å; I62-N76 HydrophobicContact CD1-CB 3.63Å; I62-N76 WeakPolarHBondContact CD1-O 3.41Å; I62-N76 HydrophobicContact CG1-CB 3.96Å; I62-N76 WeakPolarHBondContact CG1-OD1 3.01Å
77R83Confident83.5Confident83 Ų8335.6 Ų35.631%0.31320%0.195SC..  trans-97.3109.3-177.6-162.8-174.6-178.8179.2-1.1111.6C70 W71 E75 L79 D101C70-R77 CarbonylContact C-O 3.3Å; C70-R77 WeakPolarHBondContact CA-O 3.28Å; C70-R77 WeakPolarHBondContact CB-O 3.3Å; W71-R77 HydrophobicContact CG-CG 4.43Å; W71-R77 PolarHBondContact N-O 2.8Å; E75-R77 PolarHBondContact O-N 3.09Å; R77-L79 PolarHBondContact O-N 3.33Å; R77-D101 IonicContact CZ-OD1 2.7Å; R77-D101 IonicContact CZ-OD2 3.77Å; R77-D101 VanDerWaalsContact CZ-OD2 3.26Å; R77-D101 VanDerWaalsContact NE-CG 3.3Å; R77-D101 IonicContact NE-OD1 3.77Å; R77-D101 IonicContact NE-OD2 3.7Å; R77-D101 PolarHBondContact NE-OD2 2.67Å; R77-D101 IonicContact NH2-OD1 3.22Å; R77-D101 PolarHBondContact NH2-OD1 2.94Å; R77-D101 IonicContact NH2-OD2 3.59Å; R77-D101 PolarHBondContact NH2-OD2 3.45Å
78V88.8Confident83.9Confident0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-76.2125.1-174.7-179.20000111.4N31 L35 I62 V68 I81 C99 L102N31-V78 HydrophobicContact CB-CG2 4.2Å; N31-V78 WeakPolarHBondContact OD1-CB 3.31Å; N31-V78 PolarHBondContact OD1-N 2.93Å; L35-V78 HydrophobicContact CD1-CG2 4.11Å; L35-V78 HydrophobicContact CD2-CG2 4.38Å; L35-V78 HydrophobicContact CG-CG2 4.23Å; I62-V78 HydrophobicContact CD1-CG2 3.99Å; V68-V78 HydrophobicContact CG1-CG1 4.37Å; V68-V78 HydrophobicContact CG1-CG2 4.31Å; V78-I81 HydrophobicContact CG1-CD1 4.31Å; V78-I81 HydrophobicContact CG1-CG1 3.88Å; V78-C99 HydrophobicContact CB-CB 4.36Å; V78-L102 HydrophobicContact CG1-CD1 3.81Å
79L84.8Confident84.2Confident14 Ų1438.2 Ų38.27%0.07320%0.198CC..EExtended strand (participates in β ladder)trans-93-49.8173.6169.468.8000111.1T69 W71 R77 T103 G104T69-L79 HydrophobicContact CG2-CD2 4.27Å; T69-L79 WeakPolarHBondContact O-CA 3.27Å; T69-L79 WeakPolarHBondContact O-CB 3.18Å; T69-L79 PolarHBondContact O-N 3.18Å; W71-L79 HydrophobicContact CD2-CB 4.16Å; W71-L79 HydrophobicContact CD2-CD1 3.74Å; W71-L79 HydrophobicContact CD2-CG 4.43Å; W71-L79 HydrophobicContact CE3-CD1 3.97Å; W71-L79 HydrophobicContact CG-CB 4.02Å; W71-L79 HydrophobicContact CG-CD1 4.48Å; W71-L79 HydrophobicContact CH2-CD1 3.62Å; W71-L79 HydrophobicContact CZ2-CD1 3.36Å; W71-L79 HydrophobicContact CZ3-CD1 3.91Å; R77-L79 PolarHBondContact O-N 3.33Å; L79-T103 HydrophobicContact CD1-CG2 4.1Å; L79-T103 WeakPolarHBondContact CD1-OG1 3.29Å; L79-T103 PolarHBondContact O-N 3.27Å; L79-T103 PolarHBondContact O-OG1 3.35Å; L79-G104 PolarHBondContact O-N 2.81Å
80S89.4Confident84.8Confident9 Ų936.6 Ų36.66%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-147.1150.1-179.274.80000113.4T69 G104T69-S80 PolarHBondContact N-O 3.42Å; T69-S80 PolarHBondContact O-N 2.77Å; S80-G104 CarbonylContact C-O 3.45Å; S80-G104 WeakPolarHBondContact CA-O 3.44Å; S80-G104 WeakPolarHBondContact CB-O 3.16Å
81I94.5Very high85.6Confident0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-119.3109.1173.7-62.1170.9000107.4L35 G67 V78 L83 L102 G104 L105 D106L35-I81 HydrophobicContact CD2-CD1 3.82Å; L35-I81 HydrophobicContact CD2-CG1 4.3Å; G67-I81 CarbonylContact O-C 3.59Å; G67-I81 WeakPolarHBondContact O-CA 3.36Å; V78-I81 HydrophobicContact CG1-CD1 4.31Å; V78-I81 HydrophobicContact CG1-CG1 3.88Å; I81-L83 HydrophobicContact CG2-CD1 3.54Å; I81-L83 HydrophobicContact CG2-CG 3.71Å; I81-L102 HydrophobicContact CB-CD1 4.44Å; I81-L102 HydrophobicContact CD1-CD1 4.08Å; I81-L102 HydrophobicContact CG1-CD1 3.89Å; I81-G104 PolarHBondContact N-O 3.38Å; I81-L105 HydrophobicContact CB-CD1 4.05Å; I81-L105 HydrophobicContact CG2-CD1 4.29Å; I81-D106 PolarHBondContact O-N 3.47Å
82K90.1Very high86.7Confident82 Ų8237.2 Ų37.236%0.35720%0.201SC..EExtended strand (participates in β ladder)trans-11791.2-179-62.2-176.6-177.3177.20110.2G67 D106G67-K82 VanDerWaalsContact CA-O 3.24Å; G67-K82 WeakPolarHBondContact CA-O 3.32Å; G67-K82 PolarHBondContact O-N 3.36Å; K82-D106 HydrophobicContact CB-CB 4.42Å; K82-D106 HydrophobicContact CG-CB 4.26Å
83L91.8Very high88.3Confident0 Ų036.2 Ų36.20%020%0.197CC..  trans-112.932.5-176-61.4174000111.9F38 L49 W52 I81 G85 Y86 L88 D106 L107 N110F38-L83 HydrophobicContact CE1-CD1 3.58Å; F38-L83 HydrophobicContact CZ-CD1 3.62Å; L49-L83 HydrophobicContact CD2-CD1 4.24Å; L49-L83 HydrophobicContact CD2-CD2 3.86Å; W52-L83 HydrophobicContact CH2-CD1 4.21Å; W52-L83 HydrophobicContact CZ2-CD1 4.25Å; W52-L83 HydrophobicContact CZ2-CD2 4.16Å; I81-L83 HydrophobicContact CG2-CD1 3.54Å; I81-L83 HydrophobicContact CG2-CG 3.71Å; L83-G85 PolarHBondContact O-N 3.26Å; L83-Y86 HydrophobicContact CB-CD2 4.21Å; L83-Y86 HydrophobicContact CB-CG 4.24Å; L83-Y86 HydrophobicContact CD2-CD1 3.78Å; L83-Y86 HydrophobicContact CD2-CD2 4.47Å; L83-Y86 HydrophobicContact CD2-CE1 3.5Å; L83-Y86 HydrophobicContact CD2-CE2 4.22Å; L83-Y86 HydrophobicContact CD2-CG 4.28Å; L83-Y86 VanDerWaalsContact O-CD2 3.23Å; L83-Y86 WeakPolarHBondContact O-CD2 3.41Å; L83-Y86 PolarHBondContact O-N 3.03Å; L83-L88 HydrophobicContact CB-CD1 3.99Å; L83-L88 HydrophobicContact CD1-CD1 3.93Å; L83-D106 PolarHBondContact N-O 3.42Å; L83-L107 HydrophobicContact CB-CD2 4.28Å; L83-L107 HydrophobicContact CD1-CD2 4.4Å; L83-N110 PolarHBondContact O-ND2 3.02Å
84S89Confident89.5Confident42 Ų4234.1 Ų34.129%0.29419%0.189SC..THydrogen-bonded Turntrans-60.6127179.7-172.90000112.1Y86 S108S84-Y86 VanDerWaalsContact C-N 3.35Å; S84-Y86 WeakPolarHBondContact O-CD2 3.44Å; S84-Y86 PolarHBondContact O-N 3.35Å; S84-S108 CarbonylContact C-O 3.24Å; S84-S108 WeakPolarHBondContact CA-O 3.34Å; S84-S108 VanDerWaalsContact CB-OG 3.3Å; S84-S108 WeakPolarHBondContact CB-OG 3.35Å; S84-S108 PolarHBondContact OG-O 2.97Å; S84-S108 PolarHBondContact OG-OG 3.08Å
85G85.4Confident90.8Very high39 Ų3930 Ų3040%0.40217%0.167SC..THydrogen-bonded Turntrans76.416.4173.800000115.5L83 G87 S108 R109L83-G85 PolarHBondContact O-N 3.26Å; G85-G87 PolarHBondContact O-N 3.34Å; G85-S108 PolarHBondContact N-O 2.84Å; G85-R109 VanDerWaalsContact CA-O 3.28Å; G85-R109 WeakPolarHBondContact CA-O 3.24Å
86Y89.6Confident91.9Very high34 Ų3427.3 Ų27.313%0.13316%0.155CC..SBendtrans-76.5-12.8-179.7-80.1-128.8000112.1N46 Y48 L49 S66 G67 L83 S84 L88 N110N46-Y86 PolarHBondContact ND2-O 2.82Å; Y48-Y86 HydrophobicContact CD2-CD1 4.04Å; Y48-Y86 HydrophobicContact CD2-CG 4.03Å; Y48-Y86 VanDerWaalsContact CD2-O 3.29Å; Y48-Y86 WeakPolarHBondContact CD2-O 3.12Å; Y48-Y86 HydrophobicContact CG-CD1 4.01Å; Y48-Y86 HydrophobicContact CG-CE1 4.47Å; Y48-Y86 HydrophobicContact CG-CG 4.46Å; L49-Y86 HydrophobicContact CD2-CD1 4.1Å; L49-Y86 HydrophobicContact CD2-CE1 4.35Å; S66-Y86 PolarHBondContact OG-OH 2.61Å; G67-Y86 PolarHBondContact N-OH 3.15Å; L83-Y86 HydrophobicContact CB-CD2 4.21Å; L83-Y86 HydrophobicContact CB-CG 4.24Å; L83-Y86 HydrophobicContact CD2-CD1 3.78Å; L83-Y86 HydrophobicContact CD2-CD2 4.47Å; L83-Y86 HydrophobicContact CD2-CE1 3.5Å; L83-Y86 HydrophobicContact CD2-CE2 4.22Å; L83-Y86 HydrophobicContact CD2-CG 4.28Å; L83-Y86 VanDerWaalsContact O-CD2 3.23Å; L83-Y86 WeakPolarHBondContact O-CD2 3.41Å; L83-Y86 PolarHBondContact O-N 3.03Å; S84-Y86 VanDerWaalsContact C-N 3.35Å; S84-Y86 WeakPolarHBondContact O-CD2 3.44Å; S84-Y86 PolarHBondContact O-N 3.35Å; Y86-L88 VanDerWaalsContact C-N 3.27Å; Y86-N110 PolarHBondContact N-OD1 2.98Å; Y86-N110 VanDerWaalsContact N-OD1 3.07Å
87G87.6Confident92.4Very high14 Ų1432.9 Ų32.914%0.14418%0.179CC..  trans73.520-176.700000113.5P45 G85 N110P45-G87 WeakPolarHBondContact CD-O 3.4Å; P45-G87 WeakPolarHBondContact CG-O 3.35Å; G85-G87 PolarHBondContact O-N 3.34Å; G87-N110 PolarHBondContact N-OD1 2.85Å
88L95Very high92.9Very high0 Ų032.5 Ų32.50%018%0.183CC..  trans-61.6150.5178.7-58.8175.4000111V42 E43 D44 L49 L83 Y86 N110 N111 F112V42-L88 HydrophobicContact CG2-CD2 4.48Å; E43-L88 CarbonylContact O-C 3.51Å; E43-L88 WeakPolarHBondContact O-CA 3.41Å; D44-L88 HydrophobicContact CB-CD2 3.78Å; L49-L88 HydrophobicContact CD1-CD1 4.4Å; L49-L88 HydrophobicContact CD1-CD2 3.8Å; L49-L88 HydrophobicContact CG-CD2 4.04Å; L83-L88 HydrophobicContact CB-CD1 3.99Å; L83-L88 HydrophobicContact CD1-CD1 3.93Å; Y86-L88 VanDerWaalsContact C-N 3.27Å; L88-N110 HydrophobicContact CB-CB 4.41Å; L88-N110 PolarHBondContact N-OD1 3.47Å; L88-N111 CarbonylContact O-C 3.45Å; L88-N111 WeakPolarHBondContact O-CA 3.47Å; L88-N111 WeakPolarHBondContact O-CB 3.41Å; L88-N111 PolarHBondContact O-N 3.1Å; L88-F112 HydrophobicContact CB-CE1 4.4Å; L88-F112 HydrophobicContact CB-CE2 3.86Å; L88-F112 HydrophobicContact CB-CZ 3.64Å; L88-F112 HydrophobicContact CD1-CE2 4.32Å; L88-F112 HydrophobicContact CD1-CZ 4.01Å; L88-F112 HydrophobicContact CG-CZ 4.48Å
89R97.1Very high93.2Very high82 Ų8232.6 Ų32.631%0.30918%0.183SC..EExtended strand (participates in β ladder)trans-131161.7176-40.5167.1163.3-158.8-16.8110.2E43 N111E43-R89 HydrophobicContact CB-CB 4.01Å; E43-R89 HydrophobicContact CB-CG 4.49Å; E43-R89 PolarHBondContact N-O 2.81Å; E43-R89 PolarHBondContact O-N 2.89Å; E43-R89 WeakPolarHBondContact OE2-CD 3.18Å; R89-N111 HydrophobicContact CG-CB 3.97Å
90G97.2Very high93.3Very high19 Ų1934.9 Ų34.920%0.19620%0.204CC..EExtended strand (participates in β ladder)trans132.6-163.3-179.900000111F112 S113G90-F112 CarbonylContact O-C 3.56Å; G90-F112 WeakPolarHBondContact O-CA 3.22Å; G90-S113 PolarHBondContact O-N 2.9Å
91V97.4Very high93.1Very high82 Ų8236.3 Ų36.350%0.49721%0.211SC..SBendtrans-96.7176.2171.5-61.40000110.5P93 F112 S113V91-P93 WeakPolarHBondContact O-CD 3.4Å; V91-F112 WeakPolarHBondContact O-CD1 3.45Å; V91-S113 WeakPolarHBondContact CA-O 3.44Å
92F98Very high93Very high2 Ų236.5 Ų36.51%0.00921%0.212CC..  trans-56.5123171.7-175.9-82.8000109.4P94 V96 L105 L116 P117 I120 L123 I124 L130 L132 F137F92-P94 WeakPolarHBondContact O-CD 3.08Å; F92-V96 HydrophobicContact CE1-CG2 3.92Å; F92-V96 HydrophobicContact CZ-CG2 4.28Å; F92-L105 HydrophobicContact CE2-CD2 3.96Å; F92-L105 HydrophobicContact CZ-CD2 3.77Å; F92-L116 HydrophobicContact CB-CD2 4.32Å; F92-L116 HydrophobicContact CD2-CD2 3.91Å; F92-L116 HydrophobicContact CG-CD2 4.4Å; F92-P117 HydrophobicContact CB-CG 4.14Å; F92-P117 HydrophobicContact CD1-CG 3.77Å; F92-P117 HydrophobicContact CG-CG 4.2Å; F92-I120 HydrophobicContact CE2-CD1 4.14Å; F92-I120 HydrophobicContact CZ-CD1 4.21Å; F92-I120 HydrophobicContact CZ-CG1 4.32Å; F92-L123 HydrophobicContact CD1-CD1 4.22Å; F92-L123 HydrophobicContact CE1-CD1 3.98Å; F92-I124 HydrophobicContact CZ-CD1 4.24Å; F92-I124 HydrophobicContact CZ-CG2 4.46Å; F92-L130 HydrophobicContact CE2-CD1 4.48Å; F92-L132 HydrophobicContact CD2-CD1 4.2Å; F92-L132 HydrophobicContact CD2-CD2 4.36Å; F92-L132 HydrophobicContact CE2-CD1 4.2Å; F92-L132 HydrophobicContact CE2-CD2 4.21Å; F92-F137 HydrophobicContact CB-CE1 4.02Å
93P96.6Very high92.9Very high2 Ų233.1 Ų33.11%0.01320%0.198CC..  trans-75.9109.1-16926.6-31.6000111.6F38 V42 V91 A95 V96 L107F38-P93 HydrophobicContact CD2-CB 3.74Å; F38-P93 HydrophobicContact CD2-CG 3.77Å; F38-P93 HydrophobicContact CE2-CB 3.74Å; F38-P93 HydrophobicContact CE2-CG 3.26Å; F38-P93 HydrophobicContact CG-CB 4.48Å; F38-P93 HydrophobicContact CZ-CB 4.46Å; F38-P93 HydrophobicContact CZ-CG 3.96Å; V42-P93 HydrophobicContact CG1-CB 4.3Å; V91-P93 WeakPolarHBondContact O-CD 3.4Å; P93-A95 PolarHBondContact O-N 3.12Å; P93-V96 HydrophobicContact CG-CG1 4.09Å; P93-V96 VanDerWaalsContact O-CG2 3.32Å; P93-V96 WeakPolarHBondContact O-CG2 3.13Å; P93-V96 PolarHBondContact O-N 2.96Å; P93-L107 HydrophobicContact CG-CD1 3.99Å
94P96.2Very high92.8Very high57 Ų5733.5 Ų33.537%0.3720%0.202SC..G310 helixtrans-68.3-18.8-176.9-21.136.1000113.7Q41 F92 V96 K97 L123Q41-P94 VanDerWaalsContact OE1-CD 3.24Å; F92-P94 WeakPolarHBondContact O-CD 3.08Å; P94-V96 PolarHBondContact O-N 2.89Å; P94-V96 VanDerWaalsContact O-N 3.11Å; P94-K97 WeakPolarHBondContact O-CB 3.46Å; P94-K97 PolarHBondContact O-N 3.41Å; P94-L123 HydrophobicContact CB-CD1 4.49Å
95A96Very high93.2Very high5 Ų531.5 Ų31.54%0.04119%0.188CC..G310 helixtrans-56.1-24177.500000114C34 T37 F38 Q41 P93 K97 L98C34-A95 PolarHBondContact SG-O 2.76Å; C34-A95 VanDerWaalsContact SG-O 3.37Å; T37-A95 HydrophobicContact CG2-CB 3.82Å; F38-A95 HydrophobicContact CB-CB 4.16Å; Q41-A95 VanDerWaalsContact OE1-CB 3.32Å; P93-A95 PolarHBondContact O-N 3.12Å; A95-K97 PolarHBondContact O-N 3.29Å; A95-L98 WeakPolarHBondContact O-CB 3.3Å; A95-L98 PolarHBondContact O-N 2.8Å
96V96.5Very high93.7Very high0 Ų031.2 Ų31.20%018%0.177CC..G310 helixtrans-56.5-21.7177.8-60.90000113.3F38 F92 P93 P94 L98 C99 L102 L105 L123 I124F38-V96 HydrophobicContact CD2-CG1 3.83Å; F38-V96 HydrophobicContact CE2-CG1 3.96Å; F92-V96 HydrophobicContact CE1-CG2 3.92Å; F92-V96 HydrophobicContact CZ-CG2 4.28Å; P93-V96 HydrophobicContact CG-CG1 4.09Å; P93-V96 VanDerWaalsContact O-CG2 3.32Å; P93-V96 WeakPolarHBondContact O-CG2 3.13Å; P93-V96 PolarHBondContact O-N 2.96Å; P94-V96 PolarHBondContact O-N 2.89Å; P94-V96 VanDerWaalsContact O-N 3.11Å; V96-L98 PolarHBondContact O-N 3.04Å; V96-C99 WeakPolarHBondContact O-CB 3.33Å; V96-C99 PolarHBondContact O-N 3.28Å; V96-L102 HydrophobicContact CB-CD2 4.17Å; V96-L105 HydrophobicContact CG1-CD1 4.44Å; V96-L105 HydrophobicContact CG1-CD2 4.39Å; V96-L123 HydrophobicContact CG2-CB 4.3Å; V96-I124 HydrophobicContact CB-CG2 4.37Å; V96-I124 HydrophobicContact CG2-CG2 3.66Å
97K95.6Very high94Very high125 Ų12529.6 Ų29.654%0.54317%0.171SC..G310 helixtrans-55.9-32.6172.5-177.1-180176.4-175.20113.4P94 A95 C99 L123P94-K97 WeakPolarHBondContact O-CB 3.46Å; P94-K97 PolarHBondContact O-N 3.41Å; A95-K97 PolarHBondContact O-N 3.29Å; K97-C99 VanDerWaalsContact C-N 3.27Å; K97-L123 VanDerWaalsContact CA-O 3.3Å; K97-L123 WeakPolarHBondContact CA-O 3.33Å; K97-L123 HydrophobicContact CB-CD2 4.01Å; K97-L123 HydrophobicContact CD-CD2 4.13Å; K97-L123 HydrophobicContact CG-CD2 4.47Å; K97-L123 PolarHBondContact N-O 3.02Å
98L95.2Very high94.4Very high74 Ų7429.1 Ų29.139%0.38717%0.165SC..G310 helixtrans-73.5-22.3-179.3-62.6175.8000111.9D33 C34 A95 V96 A100D33-L98 HydrophobicContact CB-CD1 4.36Å; C34-L98 HydrophobicContact CB-CB 3.55Å; A95-L98 WeakPolarHBondContact O-CB 3.3Å; A95-L98 PolarHBondContact O-N 2.8Å; V96-L98 PolarHBondContact O-N 3.04Å; L98-A100 PolarHBondContact O-N 3.02Å
99C94Very high94.2Very high3 Ų335.2 Ų35.22%0.0219%0.188CC..  trans-80.772.7169.6-65.90000108.8C34 V78 V96 K97 D101 L102C34-C99 HydrophobicContact CB-CB 4.08Å; C34-C99 WeakPolarHBondContact CB-SG 3.35Å; C34-C99 WeakPolarHBondContact SG-CB 3.32Å; C34-C99 PolarHBondContact SG-N 3.16Å; C34-C99 CovalentContact SG-SG 2.03Å; C34-C99 PolarHBondContact SG-SG 3.29Å; V78-C99 HydrophobicContact CB-CB 4.36Å; V96-C99 WeakPolarHBondContact O-CB 3.33Å; V96-C99 PolarHBondContact O-N 3.28Å; K97-C99 VanDerWaalsContact C-N 3.27Å; C99-D101 PolarHBondContact O-N 3.33Å; C99-L102 HydrophobicContact CB-CB 3.98Å; C99-L102 VanDerWaalsContact O-CB 3.22Å; C99-L102 WeakPolarHBondContact O-CB 3.22Å; C99-L102 PolarHBondContact O-N 3.27Å
100A87.2Confident94Very high61 Ų6131.6 Ų31.650%0.50418%0.175SC..THydrogen-bonded Turntrans-56.9-29.2-168.100000114.4L98 L126L98-A100 PolarHBondContact O-N 3.02Å; A100-L126 WeakPolarHBondContact O-CD1 3.21Å
101D85.2Confident93.9Very high39 Ų3934.5 Ų34.521%0.20919%0.186CC..THydrogen-bonded Turntrans-99.914.8-178.7-59.1-69000114.2R77 C99 T103R77-D101 IonicContact CZ-OD1 2.7Å; R77-D101 IonicContact CZ-OD2 3.77Å; R77-D101 VanDerWaalsContact CZ-OD2 3.26Å; R77-D101 VanDerWaalsContact NE-CG 3.3Å; R77-D101 IonicContact NE-OD1 3.77Å; R77-D101 IonicContact NE-OD2 3.7Å; R77-D101 PolarHBondContact NE-OD2 2.67Å; R77-D101 IonicContact NH2-OD1 3.22Å; R77-D101 PolarHBondContact NH2-OD1 2.94Å; R77-D101 IonicContact NH2-OD2 3.59Å; R77-D101 PolarHBondContact NH2-OD2 3.45Å; C99-D101 PolarHBondContact O-N 3.33Å; D101-T103 WeakPolarHBondContact O-CG2 3.1Å; D101-T103 PolarHBondContact O-N 3.45Å
102L92.3Very high94Very high5 Ų530.6 Ų30.63%0.02616%0.163CC..  trans-63.5119.9-178.6-171.773.5000110.9V78 I81 V96 C99 L105 I124 L126 V127V78-L102 HydrophobicContact CG1-CD1 3.81Å; I81-L102 HydrophobicContact CB-CD1 4.44Å; I81-L102 HydrophobicContact CD1-CD1 4.08Å; I81-L102 HydrophobicContact CG1-CD1 3.89Å; V96-L102 HydrophobicContact CB-CD2 4.17Å; C99-L102 HydrophobicContact CB-CB 3.98Å; C99-L102 VanDerWaalsContact O-CB 3.22Å; C99-L102 WeakPolarHBondContact O-CB 3.22Å; C99-L102 PolarHBondContact O-N 3.27Å; L102-L105 HydrophobicContact CD2-CB 4.24Å; L102-L105 HydrophobicContact CD2-CD1 4.44Å; L102-I124 HydrophobicContact CD2-CG2 4.35Å; L102-L126 CarbonylContact O-C 3.57Å; L102-V127 HydrophobicContact CD2-CG2 4.37Å; L102-V127 HydrophobicContact CG-CG2 4.32Å; L102-V127 WeakPolarHBondContact O-CG2 3.11Å
103T88.4Confident94Very high10 Ų1033 Ų336%0.06118%0.179CC..  trans-107.9-21.3179.765.30000113.1W71 L79 D101 V127 T128 I129W71-T103 HydrophobicContact CH2-CG2 4.27Å; W71-T103 HydrophobicContact CZ2-CG2 3.78Å; L79-T103 HydrophobicContact CD1-CG2 4.1Å; L79-T103 WeakPolarHBondContact CD1-OG1 3.29Å; L79-T103 PolarHBondContact O-N 3.27Å; L79-T103 PolarHBondContact O-OG1 3.35Å; D101-T103 WeakPolarHBondContact O-CG2 3.1Å; D101-T103 PolarHBondContact O-N 3.45Å; T103-V127 CarbonylContact O-C 3.2Å; T103-V127 WeakPolarHBondContact O-CA 3.31Å; T103-T128 PolarHBondContact O-N 2.89Å; T103-T128 PolarHBondContact O-OG1 3.39Å; T103-T128 VanDerWaalsContact O-OG1 3.09Å; T103-I129 PolarHBondContact O-N 2.78Å
104G90.4Very high94.1Very high8 Ų833.6 Ų33.68%0.08219%0.187CC..EExtended strand (participates in β ladder)trans-132.7125.7179.800000112.4L79 S80 I81L79-G104 PolarHBondContact O-N 2.81Å; S80-G104 CarbonylContact C-O 3.45Å; S80-G104 WeakPolarHBondContact CA-O 3.44Å; S80-G104 WeakPolarHBondContact CB-O 3.16Å; I81-G104 PolarHBondContact N-O 3.38Å
105L97Very high94.2Very high1 Ų135 Ų351%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-130.4108.7175.1-178.160.6000109.9I81 F92 V96 L102 L107 I124 I129 L130 D131I81-L105 HydrophobicContact CB-CD1 4.05Å; I81-L105 HydrophobicContact CG2-CD1 4.29Å; F92-L105 HydrophobicContact CE2-CD2 3.96Å; F92-L105 HydrophobicContact CZ-CD2 3.77Å; V96-L105 HydrophobicContact CG1-CD1 4.44Å; V96-L105 HydrophobicContact CG1-CD2 4.39Å; L102-L105 HydrophobicContact CD2-CB 4.24Å; L102-L105 HydrophobicContact CD2-CD1 4.44Å; L105-L107 HydrophobicContact CD1-CD1 4.18Å; L105-L107 HydrophobicContact CD1-CD2 3.95Å; L105-L107 HydrophobicContact CD1-CG 3.85Å; L105-L107 HydrophobicContact CD2-CD1 4.4Å; L105-L107 HydrophobicContact CG-CD1 4.35Å; L105-L107 HydrophobicContact CG-CG 4.12Å; L105-I124 HydrophobicContact CD2-CG2 4.22Å; L105-I129 PolarHBondContact N-O 2.97Å; L105-L130 HydrophobicContact CB-CD1 4.15Å; L105-L130 HydrophobicContact CD2-CD1 3.97Å; L105-L130 HydrophobicContact CG-CD1 4.21Å; L105-L130 WeakPolarHBondContact O-CA 3.49Å; L105-D131 PolarHBondContact O-N 3.18Å
106D94.4Very high94.3Very high32 Ų3235.2 Ų35.217%0.17120%0.196CC..EExtended strand (participates in β ladder)trans-117.4106.4175.2174.57.7000109.5I81 K82 L83 S108 D131I81-D106 PolarHBondContact O-N 3.47Å; K82-D106 HydrophobicContact CB-CB 4.42Å; K82-D106 HydrophobicContact CG-CB 4.26Å; L83-D106 PolarHBondContact N-O 3.42Å; D106-S108 WeakPolarHBondContact OD1-CB 3.39Å; D106-S108 PolarHBondContact OD1-N 3Å; D106-S108 PolarHBondContact OD1-OG 3.04Å; D106-D131 HydrophobicContact CB-CB 4.27Å
107L97.3Very high94.3Very high0 Ų036.5 Ų36.50%020%0.204CC..  trans-11218.5175.1-58.9-179.1000111.2F38 L83 P93 L105 N110 F112 D131 L132 N135F38-L107 HydrophobicContact CE2-CD2 4.44Å; F38-L107 HydrophobicContact CZ-CD2 4Å; L83-L107 HydrophobicContact CB-CD2 4.28Å; L83-L107 HydrophobicContact CD1-CD2 4.4Å; P93-L107 HydrophobicContact CG-CD1 3.99Å; L105-L107 HydrophobicContact CD1-CD1 4.18Å; L105-L107 HydrophobicContact CD1-CD2 3.95Å; L105-L107 HydrophobicContact CD1-CG 3.85Å; L105-L107 HydrophobicContact CD2-CD1 4.4Å; L105-L107 HydrophobicContact CG-CD1 4.35Å; L105-L107 HydrophobicContact CG-CG 4.12Å; L107-N110 PolarHBondContact O-ND2 3.4Å; L107-F112 HydrophobicContact CB-CD2 4.08Å; L107-F112 HydrophobicContact CB-CE2 3.83Å; L107-F112 HydrophobicContact CD1-CE2 4.24Å; L107-F112 HydrophobicContact CD1-CZ 4.38Å; L107-F112 HydrophobicContact CD2-CE2 4.2Å; L107-F112 HydrophobicContact CD2-CZ 4.39Å; L107-F112 HydrophobicContact CG-CE2 4.32Å; L107-D131 PolarHBondContact N-O 3.01Å; L107-L132 HydrophobicContact CB-CD2 3.99Å; L107-L132 HydrophobicContact CD1-CD2 4.13Å; L107-L132 HydrophobicContact CG-CD2 4.32Å; L107-N135 PolarHBondContact O-ND2 3.04Å
108S94.8Very high94.4Very high4 Ų434.1 Ų34.13%0.02821%0.208CC..  trans-63.8160.5-173.2660000113.4S84 G85 D106 N110 D131 S133S84-S108 CarbonylContact C-O 3.24Å; S84-S108 WeakPolarHBondContact CA-O 3.34Å; S84-S108 VanDerWaalsContact CB-OG 3.3Å; S84-S108 WeakPolarHBondContact CB-OG 3.35Å; S84-S108 PolarHBondContact OG-O 2.97Å; S84-S108 PolarHBondContact OG-OG 3.08Å; G85-S108 PolarHBondContact N-O 2.84Å; D106-S108 WeakPolarHBondContact OD1-CB 3.39Å; D106-S108 PolarHBondContact OD1-N 3Å; D106-S108 PolarHBondContact OD1-OG 3.04Å; S108-N110 PolarHBondContact O-N 2.89Å; S108-N110 VanDerWaalsContact O-N 3.15Å; S108-N110 PolarHBondContact O-ND2 3.3Å; S108-D131 WeakPolarHBondContact CB-OD1 3.28Å; S108-D131 PolarHBondContact N-O 2.62Å; S108-S133 CarbonylContact C-O 3.56Å; S108-S133 WeakPolarHBondContact CA-O 3.4Å; S108-S133 WeakPolarHBondContact CB-O 3.41Å
109R91.3Very high94.4Very high128 Ų12834.1 Ų34.148%0.48321%0.209SC..SBendtrans56.434.6174.3-56.5179.1177.1-76.5-5.6113.6G85 S133 Y134G85-R109 VanDerWaalsContact CA-O 3.28Å; G85-R109 WeakPolarHBondContact CA-O 3.24Å; R109-S133 PolarHBondContact N-O 3.07Å; R109-Y134 CarbonylContact C-O 3.54Å; R109-Y134 WeakPolarHBondContact CA-O 3.45Å; R109-Y134 HydrophobicContact CG-CD2 4.31Å; R109-Y134 HydrophobicContact CG-CG 4.16Å; R109-Y134 PolarHBondContact N-O 2.93Å
110N92.8Very high94.6Very high6 Ų634 Ų343%0.03221%0.208CC..SBendtrans-112.3-164.3174.3-76-64.5000109.8L83 Y86 G87 L88 L107 S108 F112 Y134 N135L83-N110 PolarHBondContact O-ND2 3.02Å; Y86-N110 PolarHBondContact N-OD1 2.98Å; Y86-N110 VanDerWaalsContact N-OD1 3.07Å; G87-N110 PolarHBondContact N-OD1 2.85Å; L88-N110 HydrophobicContact CB-CB 4.41Å; L88-N110 PolarHBondContact N-OD1 3.47Å; L107-N110 PolarHBondContact O-ND2 3.4Å; S108-N110 PolarHBondContact O-N 2.89Å; S108-N110 VanDerWaalsContact O-N 3.15Å; S108-N110 PolarHBondContact O-ND2 3.3Å; N110-F112 HydrophobicContact CB-CD2 3.57Å; N110-F112 HydrophobicContact CB-CE2 3.73Å; N110-Y134 PolarHBondContact N-O 2.84Å; N110-N135 VanDerWaalsContact CA-OD1 3.3Å; N110-N135 WeakPolarHBondContact CA-OD1 3.35Å; N110-N135 VanDerWaalsContact CB-OD1 3.22Å; N110-N135 WeakPolarHBondContact CB-OD1 3.2Å; N110-N135 PolarHBondContact N-OD1 2.89Å; N110-N135 PolarHBondContact O-OD1 3.23Å
111N96.5Very high95Very high80 Ų8031.8 Ų31.843%0.42819%0.188SC..EExtended strand (participates in β ladder)trans-120.134.8175.9-61.4-44.2000110.6L88 R89 N135L88-N111 CarbonylContact O-C 3.45Å; L88-N111 WeakPolarHBondContact O-CA 3.47Å; L88-N111 WeakPolarHBondContact O-CB 3.41Å; L88-N111 PolarHBondContact O-N 3.1Å; R89-N111 HydrophobicContact CG-CB 3.97Å; N111-N135 PolarHBondContact N-OD1 2.9Å
112F98.4Very high95.5Very high0 Ų033.1 Ų33.10%020%0.198CC..EExtended strand (participates in β ladder)trans-65.4147.3172.3-69.4-76.2000110.2V42 L88 G90 V91 L107 N110 N135 S136 F137V42-F112 HydrophobicContact CB-CE1 4.49Å; V42-F112 HydrophobicContact CG1-CE1 3.85Å; V42-F112 HydrophobicContact CG1-CZ 4.21Å; L88-F112 HydrophobicContact CB-CE1 4.4Å; L88-F112 HydrophobicContact CB-CE2 3.86Å; L88-F112 HydrophobicContact CB-CZ 3.64Å; L88-F112 HydrophobicContact CD1-CE2 4.32Å; L88-F112 HydrophobicContact CD1-CZ 4.01Å; L88-F112 HydrophobicContact CG-CZ 4.48Å; G90-F112 CarbonylContact O-C 3.56Å; G90-F112 WeakPolarHBondContact O-CA 3.22Å; V91-F112 WeakPolarHBondContact O-CD1 3.45Å; L107-F112 HydrophobicContact CB-CD2 4.08Å; L107-F112 HydrophobicContact CB-CE2 3.83Å; L107-F112 HydrophobicContact CD1-CE2 4.24Å; L107-F112 HydrophobicContact CD1-CZ 4.38Å; L107-F112 HydrophobicContact CD2-CE2 4.2Å; L107-F112 HydrophobicContact CD2-CZ 4.39Å; L107-F112 HydrophobicContact CG-CE2 4.32Å; N110-F112 HydrophobicContact CB-CD2 3.57Å; N110-F112 HydrophobicContact CB-CE2 3.73Å; F112-N135 HydrophobicContact CB-CB 4.49Å; F112-N135 WeakPolarHBondContact CD2-OD1 3.19Å; F112-N135 PolarHBondContact N-OD1 3.17Å; F112-S136 CarbonylContact O-C 3.57Å; F112-S136 WeakPolarHBondContact O-CA 3.49Å; F112-S136 WeakPolarHBondContact O-CB 3.22Å; F112-S136 PolarHBondContact O-N 3.33Å; F112-F137 HydrophobicContact CB-CD1 4.41Å; F112-F137 HydrophobicContact CB-CD2 4.42Å; F112-F137 HydrophobicContact CB-CE1 3.67Å; F112-F137 HydrophobicContact CB-CE2 3.67Å; F112-F137 HydrophobicContact CB-CZ 3.25Å; F112-F137 HydrophobicContact CD2-CZ 4.44Å; F112-F137 HydrophobicContact CG-CE2 4.47Å; F112-F137 AromaticContact CG-CZ 3.91Å; F112-F137 HydrophobicContact CG-CZ 3.91Å; F112-F137 PolarHBondContact O-N 2.87Å
113S98.1Very high95.7Very high52 Ų5233.5 Ų33.536%0.36420%0.2SC..EExtended strand (participates in β ladder)trans-147.7173.5-173.4650000112.4G90 V91 S136G90-S113 PolarHBondContact O-N 2.9Å; V91-S113 WeakPolarHBondContact CA-O 3.44Å; S113-S136 WeakPolarHBondContact CA-O 3.16Å
114G98.1Very high96.1Very high16 Ų1633.1 Ų33.117%0.16520%0.198CC..EExtended strand (participates in β ladder)trans82.6178.5-177.800000113.2F137 S138G114-F137 WeakPolarHBondContact O-CA 3.38Å; G114-S138 WeakPolarHBondContact CA-OG 3.37Å; G114-S138 PolarHBondContact O-N 3.38Å
115P98.1Very high96.2Very high86 Ų8635.8 Ų35.856%0.55821%0.213SC*.EExtended strand (participates in β ladder)trans-72.1149.7-178.430.7-34.6000113.2S138P115-S138 WeakPolarHBondContact CA-O 3.35Å
116L98.4Very high96Very high9 Ų938.7 Ų38.75%0.04723%0.229CC..PPolyproline II helixtrans-67.2142.9165.4-65.3179.3000109.6F92 A118 I120 L132 F137 P142 F161F92-L116 HydrophobicContact CB-CD2 4.32Å; F92-L116 HydrophobicContact CD2-CD2 3.91Å; F92-L116 HydrophobicContact CG-CD2 4.4Å; L116-A118 PolarHBondContact O-N 2.99Å; L116-I120 HydrophobicContact CB-CD1 4.46Å; L116-I120 HydrophobicContact CD1-CD1 4.38Å; L116-L132 HydrophobicContact CD1-CD1 4.23Å; L116-L132 HydrophobicContact CD2-CD1 3.61Å; L116-F137 HydrophobicContact CD2-CD1 3.95Å; L116-F137 HydrophobicContact CD2-CE1 4.09Å; L116-F137 HydrophobicContact CD2-CG 4.32Å; L116-P142 HydrophobicContact CB-CG 3.98Å; L116-F161 HydrophobicContact CD1-CE1 3.79Å; L116-F161 HydrophobicContact CD1-CZ 3.72Å; L116-F161 HydrophobicContact CD2-CZ 4.44Å; L116-F161 HydrophobicContact CG-CE1 3.79Å; L116-F161 HydrophobicContact CG-CZ 3.94Å
117P97.5Very high96Very high27 Ų2737.1 Ų37.118%0.17522%0.22CC..PPolyproline II helixtrans-58.6133.5178.6-23.934.2000111.2F92 N119 I120 L123F92-P117 HydrophobicContact CB-CG 4.14Å; F92-P117 HydrophobicContact CD1-CG 3.77Å; F92-P117 HydrophobicContact CG-CG 4.2Å; P117-N119 PolarHBondContact O-N 3.32Å; P117-N119 VanDerWaalsContact O-N 3.14Å; P117-I120 WeakPolarHBondContact O-CB 3.4Å; P117-I120 PolarHBondContact O-N 3.22Å; P117-L123 HydrophobicContact CB-CD1 3.8Å; P117-L123 HydrophobicContact CG-CD1 3.73Å
118A96.7Very high95.7Very high75 Ų7537.2 Ų37.262%0.6222%0.221SC*.THydrogen-bonded Turntrans-57.8-32179.300000112.2L116 L144L116-A118 PolarHBondContact O-N 2.99Å; A118-L144 WeakPolarHBondContact O-CB 3.34Å; A118-L144 WeakPolarHBondContact O-CD1 3.28Å
119N95.6Very high95.5Very high75 Ų7539.2 Ų39.240%0.40123%0.231SC..THydrogen-bonded Turntrans-95.629178.667.2-40.7000113.7P117 S121 T122P117-N119 PolarHBondContact O-N 3.32Å; P117-N119 VanDerWaalsContact O-N 3.14Å; N119-S121 PolarHBondContact O-N 3.36Å; N119-S121 VanDerWaalsContact O-N 3.09Å; N119-T122 HydrophobicContact CB-CG2 4.38Å; N119-T122 PolarHBondContact ND2-OG1 2.91Å; N119-T122 VanDerWaalsContact ND2-OG1 3.07Å; N119-T122 WeakPolarHBondContact O-CB 3.08Å; N119-T122 PolarHBondContact O-N 3.46Å; N119-T122 PolarHBondContact O-OG1 2.78Å
120I97.3Very high95.8Very high0 Ų033.1 Ų33.10%021%0.208CC..Hα-helixtrans-51.8-35.6-174.4-167.6166.9000114.1F92 L116 P117 T122 L123 I124 L130 P142 I145F92-I120 HydrophobicContact CE2-CD1 4.14Å; F92-I120 HydrophobicContact CZ-CD1 4.21Å; F92-I120 HydrophobicContact CZ-CG1 4.32Å; L116-I120 HydrophobicContact CB-CD1 4.46Å; L116-I120 HydrophobicContact CD1-CD1 4.38Å; P117-I120 WeakPolarHBondContact O-CB 3.4Å; P117-I120 PolarHBondContact O-N 3.22Å; I120-T122 PolarHBondContact O-N 3.33Å; I120-L123 WeakPolarHBondContact O-CB 3.48Å; I120-L123 PolarHBondContact O-N 2.66Å; I120-I124 HydrophobicContact CD1-CD1 4.18Å; I120-I124 HydrophobicContact CG1-CD1 3.88Å; I120-I124 HydrophobicContact CG1-CG1 3.93Å; I120-I124 VanDerWaalsContact O-CG1 3.27Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.45Å; I120-I124 VanDerWaalsContact O-N 3.12Å; I120-L130 HydrophobicContact CD1-CD2 4.38Å; I120-P142 HydrophobicContact CG2-CG 3.88Å; I120-I145 HydrophobicContact CG2-CB 4.01Å; I120-I145 HydrophobicContact CG2-CG1 4.2Å
121S95.6Very high96Very high14 Ų1434.3 Ų34.310%0.09821%0.214CC..Hα-helixtrans-64.5-23.1177.148.30000114.3N119 L123 P125 L144N119-S121 PolarHBondContact O-N 3.36Å; N119-S121 VanDerWaalsContact O-N 3.09Å; S121-L123 VanDerWaalsContact C-N 3.33Å; S121-P125 WeakPolarHBondContact O-CA 3.17Å; S121-P125 WeakPolarHBondContact O-CB 3.21Å; S121-L144 WeakPolarHBondContact CB-O 3.47Å; S121-L144 PolarHBondContact OG-O 3.07Å; S121-L144 VanDerWaalsContact OG-O 3.09Å
122T95.9Very high96.1Very high68 Ų6830.5 Ų30.542%0.41719%0.194SC..Hα-helixtrans-80.9-16.517370.10000112.9N119 I120N119-T122 HydrophobicContact CB-CG2 4.38Å; N119-T122 PolarHBondContact ND2-OG1 2.91Å; N119-T122 VanDerWaalsContact ND2-OG1 3.07Å; N119-T122 WeakPolarHBondContact O-CB 3.08Å; N119-T122 PolarHBondContact O-N 3.46Å; N119-T122 PolarHBondContact O-OG1 2.78Å; I120-T122 PolarHBondContact O-N 3.33Å
123L97Very high96.1Very high12 Ų1230.7 Ų30.76%0.06320%0.195CC..Hα-helixtrans-90.4-33.4178.9-53.9-179.5000111.5F92 P94 V96 K97 P117 I120 S121F92-L123 HydrophobicContact CD1-CD1 4.22Å; F92-L123 HydrophobicContact CE1-CD1 3.98Å; P94-L123 HydrophobicContact CB-CD1 4.49Å; V96-L123 HydrophobicContact CG2-CB 4.3Å; K97-L123 VanDerWaalsContact CA-O 3.3Å; K97-L123 WeakPolarHBondContact CA-O 3.33Å; K97-L123 HydrophobicContact CB-CD2 4.01Å; K97-L123 HydrophobicContact CD-CD2 4.13Å; K97-L123 HydrophobicContact CG-CD2 4.47Å; K97-L123 PolarHBondContact N-O 3.02Å; P117-L123 HydrophobicContact CB-CD1 3.8Å; P117-L123 HydrophobicContact CG-CD1 3.73Å; I120-L123 WeakPolarHBondContact O-CB 3.48Å; I120-L123 PolarHBondContact O-N 2.66Å; S121-L123 VanDerWaalsContact C-N 3.33Å
124I96.1Very high96Very high2 Ų232.4 Ų32.41%0.0119%0.194CC..SBendtrans-137.658.2-175.150.3164.1000112.2F92 V96 L102 L105 I120 L126 V127 L130 I148F92-I124 HydrophobicContact CZ-CD1 4.24Å; F92-I124 HydrophobicContact CZ-CG2 4.46Å; V96-I124 HydrophobicContact CB-CG2 4.37Å; V96-I124 HydrophobicContact CG2-CG2 3.66Å; L102-I124 HydrophobicContact CD2-CG2 4.35Å; L105-I124 HydrophobicContact CD2-CG2 4.22Å; I120-I124 HydrophobicContact CD1-CD1 4.18Å; I120-I124 HydrophobicContact CG1-CD1 3.88Å; I120-I124 HydrophobicContact CG1-CG1 3.93Å; I120-I124 VanDerWaalsContact O-CG1 3.27Å; I120-I124 WeakPolarHBondContact O-CG1 3.34Å; I120-I124 PolarHBondContact O-N 3.45Å; I120-I124 VanDerWaalsContact O-N 3.12Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 3.25Å; I124-V127 HydrophobicContact CB-CB 4.09Å; I124-V127 HydrophobicContact CB-CG2 3.58Å; I124-V127 HydrophobicContact CD1-CB 4.46Å; I124-V127 HydrophobicContact CG2-CG2 3.9Å; I124-V127 PolarHBondContact O-N 3.18Å; I124-L130 HydrophobicContact CD1-CD1 3.99Å; I124-L130 HydrophobicContact CD1-CD2 3.79Å; I124-L130 HydrophobicContact CD1-CG 4.45Å; I124-I148 HydrophobicContact CD1-CD1 3.8Å; I124-I148 HydrophobicContact CG1-CD1 3.87Å; I124-I148 WeakPolarHBondContact O-CG2 3.38Å
125P94.2Very high95.9Very high64 Ų6432.2 Ų32.242%0.41619%0.189SC..THydrogen-bonded Turntrans-66.4-28.1-171.226.2-34.8000114.4S121S121-P125 WeakPolarHBondContact O-CA 3.17Å; S121-P125 WeakPolarHBondContact O-CB 3.21Å
126L92.8Very high95.9Very high62 Ų6230 Ų3033%0.32518%0.176SC..THydrogen-bonded Turntrans-102.42.8-175-59.6-177.8000113.7A100 L102 I124 T128 F150A100-L126 WeakPolarHBondContact O-CD1 3.21Å; L102-L126 CarbonylContact O-C 3.57Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 3.25Å; L126-T128 PolarHBondContact O-N 3.49Å; L126-F150 HydrophobicContact CD2-CD2 4.15Å; L126-F150 HydrophobicContact CD2-CE2 3.91Å; L126-F150 HydrophobicContact CD2-CZ 4.49Å
127V94.4Very high96Very high0 Ų029.6 Ų29.60%017%0.174CC..  trans-68129-176.4167.90000111.1L102 T103 I124 I129 L130 I148 L151L102-V127 HydrophobicContact CD2-CG2 4.37Å; L102-V127 HydrophobicContact CG-CG2 4.32Å; L102-V127 WeakPolarHBondContact O-CG2 3.11Å; T103-V127 CarbonylContact O-C 3.2Å; T103-V127 WeakPolarHBondContact O-CA 3.31Å; I124-V127 HydrophobicContact CB-CB 4.09Å; I124-V127 HydrophobicContact CB-CG2 3.58Å; I124-V127 HydrophobicContact CD1-CB 4.46Å; I124-V127 HydrophobicContact CG2-CG2 3.9Å; I124-V127 PolarHBondContact O-N 3.18Å; V127-I129 VanDerWaalsContact CG1-C 3.46Å; V127-I129 WeakPolarHBondContact CG1-O 3.41Å; V127-L130 HydrophobicContact CG1-CB 4.06Å; V127-I148 WeakPolarHBondContact O-CG2 3.1Å; V127-L151 HydrophobicContact CG1-CD1 4.29Å
128T90Very high96Very high2 Ų230 Ų301%0.01218%0.178CC..SBendtrans-101.2-29.9176.567.80000111.9T103 L126 F150 N152 T153 N466 M483T103-T128 PolarHBondContact O-N 2.89Å; T103-T128 PolarHBondContact O-OG1 3.39Å; T103-T128 VanDerWaalsContact O-OG1 3.09Å; L126-T128 PolarHBondContact O-N 3.49Å; T128-F150 WeakPolarHBondContact CA-O 3.4Å; T128-F150 HydrophobicContact CG2-CB 4.17Å; T128-N152 WeakPolarHBondContact O-CA 2.86Å; T128-N152 PolarHBondContact O-N 3.36Å; T128-T153 PolarHBondContact O-N 3.05Å; T128-N466 WeakPolarHBondContact OG1-CB 3.37Å; T128-N466 PolarHBondContact OG1-O 3.33Å; T128-M483 HydrophobicContact CG2-CE 3.83Å
129I90.8Very high96Very high45 Ų4527.6 Ų27.623%0.23116%0.16CC..EExtended strand (participates in β ladder)trans-125114.5176.6-62.6162.1000108.8T103 L105 V127 T153 N466T103-I129 PolarHBondContact O-N 2.78Å; L105-I129 PolarHBondContact N-O 2.97Å; V127-I129 VanDerWaalsContact CG1-C 3.46Å; V127-I129 WeakPolarHBondContact CG1-O 3.41Å; I129-T153 HydrophobicContact CG2-CG2 4.24Å; I129-N466 HydrophobicContact CD1-CB 4.36Å; I129-N466 VanDerWaalsContact CD1-ND2 3.29Å; I129-N466 WeakPolarHBondContact CD1-ND2 3.41Å; I129-N466 WeakPolarHBondContact CG1-ND2 3.39Å
130L97.6Very high96.2Very high0 Ų030.4 Ų30.40%017%0.171CC..EExtended strand (participates in β ladder)trans-117.3107.7170.9-17860.3000109.5F92 L105 I120 I124 V127 L132 I145 L151 T153 L154 M155F92-L130 HydrophobicContact CE2-CD1 4.48Å; L105-L130 HydrophobicContact CB-CD1 4.15Å; L105-L130 HydrophobicContact CD2-CD1 3.97Å; L105-L130 HydrophobicContact CG-CD1 4.21Å; L105-L130 WeakPolarHBondContact O-CA 3.49Å; I120-L130 HydrophobicContact CD1-CD2 4.38Å; I124-L130 HydrophobicContact CD1-CD1 3.99Å; I124-L130 HydrophobicContact CD1-CD2 3.79Å; I124-L130 HydrophobicContact CD1-CG 4.45Å; V127-L130 HydrophobicContact CG1-CB 4.06Å; L130-L132 HydrophobicContact CD1-CD1 4.15Å; L130-L132 HydrophobicContact CD1-CD2 3.88Å; L130-L132 HydrophobicContact CD1-CG 3.88Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.2Å; L130-L132 HydrophobicContact CG-CG 4.03Å; L130-I145 HydrophobicContact CD2-CD1 4.38Å; L130-L151 HydrophobicContact CB-CD1 3.88Å; L130-T153 PolarHBondContact N-O 3.23Å; L130-L154 HydrophobicContact CB-CD1 4.27Å; L130-L154 HydrophobicContact CD2-CD1 3.91Å; L130-L154 HydrophobicContact CG-CD1 4.25Å; L130-M155 PolarHBondContact O-N 3.37Å
131D97.1Very high96.2Very high31 Ų3130.7 Ų30.717%0.16617%0.172CC..EExtended strand (participates in β ladder)trans-113.6109.3174.3-164.8-20.5000111.1L105 D106 L107 S108 S133 M155L105-D131 PolarHBondContact O-N 3.18Å; D106-D131 HydrophobicContact CB-CB 4.27Å; L107-D131 PolarHBondContact N-O 3.01Å; S108-D131 WeakPolarHBondContact CB-OD1 3.28Å; S108-D131 PolarHBondContact N-O 2.62Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.7Å; D131-S133 PolarHBondContact OD1-OG 3.41Å; D131-M155 HydrophobicContact CB-CB 4.16Å; D131-M155 HydrophobicContact CB-CG 4.39Å; D131-M155 WeakPolarHBondContact OD1-CB 3.3Å
132L98.5Very high96.3Very high0 Ų030.8 Ų30.80%017%0.172CC..  trans-116.112.5177.1-56.5-178.5000111.3F92 L107 L116 L130 N135 F137 M155 L156 N159F92-L132 HydrophobicContact CD2-CD1 4.2Å; F92-L132 HydrophobicContact CD2-CD2 4.36Å; F92-L132 HydrophobicContact CE2-CD1 4.2Å; F92-L132 HydrophobicContact CE2-CD2 4.21Å; L107-L132 HydrophobicContact CB-CD2 3.99Å; L107-L132 HydrophobicContact CD1-CD2 4.13Å; L107-L132 HydrophobicContact CG-CD2 4.32Å; L116-L132 HydrophobicContact CD1-CD1 4.23Å; L116-L132 HydrophobicContact CD2-CD1 3.61Å; L130-L132 HydrophobicContact CD1-CD1 4.15Å; L130-L132 HydrophobicContact CD1-CD2 3.88Å; L130-L132 HydrophobicContact CD1-CG 3.88Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.2Å; L130-L132 HydrophobicContact CG-CG 4.03Å; L132-N135 PolarHBondContact O-ND2 3.19Å; L132-N135 VanDerWaalsContact O-ND2 3.09Å; L132-F137 HydrophobicContact CB-CD2 4.05Å; L132-F137 HydrophobicContact CB-CE2 3.8Å; L132-F137 HydrophobicContact CD1-CE2 4.36Å; L132-F137 HydrophobicContact CD2-CE2 4.1Å; L132-F137 HydrophobicContact CD2-CZ 4.34Å; L132-F137 HydrophobicContact CG-CE2 4.31Å; L132-M155 PolarHBondContact N-O 2.8Å; L132-L156 HydrophobicContact CB-CD2 4.12Å; L132-L156 HydrophobicContact CD1-CD2 4.11Å; L132-L156 HydrophobicContact CG-CD2 4.45Å; L132-N159 PolarHBondContact O-ND2 3.49Å
133S97.4Very high96.3Very high4 Ų432.5 Ų32.53%0.02818%0.177CC..  trans-66.9157.6-172.466.90000113.1S108 R109 D131 N135 M155 Q157S108-S133 CarbonylContact C-O 3.56Å; S108-S133 WeakPolarHBondContact CA-O 3.4Å; S108-S133 WeakPolarHBondContact CB-O 3.41Å; R109-S133 PolarHBondContact N-O 3.07Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.7Å; D131-S133 PolarHBondContact OD1-OG 3.41Å; S133-N135 PolarHBondContact O-ND2 3.3Å; S133-M155 PolarHBondContact N-O 3.35Å; S133-Q157 CarbonylContact C-O 3.59Å; S133-Q157 WeakPolarHBondContact CA-O 3.1Å; S133-Q157 VanDerWaalsContact CB-O 3.32Å; S133-Q157 WeakPolarHBondContact CB-O 3.19Å; S133-Q157 PolarHBondContact OG-NE2 2.85Å
134Y97Very high96.3Very high88 Ų8835.2 Ų35.235%0.34519%0.191SC..SBendtrans55.253.4-179.5-63.4-94.2000112.8R109 N110 Q157 H158R109-Y134 CarbonylContact C-O 3.54Å; R109-Y134 WeakPolarHBondContact CA-O 3.45Å; R109-Y134 HydrophobicContact CG-CD2 4.31Å; R109-Y134 HydrophobicContact CG-CG 4.16Å; R109-Y134 PolarHBondContact N-O 2.93Å; N110-Y134 PolarHBondContact N-O 2.84Å; Y134-Q157 PolarHBondContact N-O 3.26Å; Y134-H158 VanDerWaalsContact CA-O 3.27Å; Y134-H158 WeakPolarHBondContact CA-O 3.38Å; Y134-H158 HydrophobicContact CD1-CB 3.85Å; Y134-H158 AromaticContact CD1-CD2 3.85Å; Y134-H158 AromaticContact CD1-CG 3.87Å; Y134-H158 HydrophobicContact CD2-CB 4.46Å; Y134-H158 HydrophobicContact CE1-CB 4.2Å; Y134-H158 AromaticContact CE1-CD2 3.31Å; Y134-H158 WeakPolarHBondContact CE1-CD2 3.29Å; Y134-H158 AromaticContact CE1-CG 3.7Å; Y134-H158 AromaticContact CE1-NE2 3.65Å; Y134-H158 AromaticContact CE2-CD2 3.6Å; Y134-H158 HydrophobicContact CG-CB 4Å; Y134-H158 AromaticContact CZ-CD2 3.15Å; Y134-H158 AromaticContact CZ-CG 4Å; Y134-H158 AromaticContact CZ-NE2 3.5Å; Y134-H158 PolarHBondContact N-O 3.09Å; Y134-H158 PolarHBondContact OH-CD2 3.13Å; Y134-H158 PolarHBondContact OH-NE2 3.23Å
135N96.9Very high96.3Very high12 Ų1235.1 Ų35.16%0.06419%0.191CC..SBendtrans-129.7-162.4174.7-85-75.1000109.5L107 N110 N111 F112 L132 S133 F137 H158 N159L107-N135 PolarHBondContact O-ND2 3.04Å; N110-N135 VanDerWaalsContact CA-OD1 3.3Å; N110-N135 WeakPolarHBondContact CA-OD1 3.35Å; N110-N135 VanDerWaalsContact CB-OD1 3.22Å; N110-N135 WeakPolarHBondContact CB-OD1 3.2Å; N110-N135 PolarHBondContact N-OD1 2.89Å; N110-N135 PolarHBondContact O-OD1 3.23Å; N111-N135 PolarHBondContact N-OD1 2.9Å; F112-N135 HydrophobicContact CB-CB 4.49Å; F112-N135 WeakPolarHBondContact CD2-OD1 3.19Å; F112-N135 PolarHBondContact N-OD1 3.17Å; L132-N135 PolarHBondContact O-ND2 3.19Å; L132-N135 VanDerWaalsContact O-ND2 3.09Å; S133-N135 PolarHBondContact O-ND2 3.3Å; N135-F137 HydrophobicContact CB-CD2 3.61Å; N135-F137 HydrophobicContact CB-CE2 3.84Å; N135-H158 PolarHBondContact N-O 3.42Å; N135-H158 VanDerWaalsContact N-O 3.11Å; N135-N159 WeakPolarHBondContact CA-OD1 3.49Å; N135-N159 WeakPolarHBondContact CB-OD1 3.3Å; N135-N159 PolarHBondContact N-OD1 3.25Å; N135-N159 PolarHBondContact O-OD1 3.37Å
136S97.8Very high96.2Very high41 Ų4132.4 Ų32.429%0.28717%0.173SC..EExtended strand (participates in β ladder)trans-122.526.9173.8-64.40000112.1F112 S113 N159F112-S136 CarbonylContact O-C 3.57Å; F112-S136 WeakPolarHBondContact O-CA 3.49Å; F112-S136 WeakPolarHBondContact O-CB 3.22Å; F112-S136 PolarHBondContact O-N 3.33Å; S113-S136 WeakPolarHBondContact CA-O 3.16Å; S136-N159 PolarHBondContact N-OD1 2.8Å
137F98.7Very high96.4Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-58.7142.3174.3-69.7-69.9000110.1F92 F112 G114 L116 L132 N135 N159 Q160 F161F92-F137 HydrophobicContact CB-CE1 4.02Å; F112-F137 HydrophobicContact CB-CD1 4.41Å; F112-F137 HydrophobicContact CB-CD2 4.42Å; F112-F137 HydrophobicContact CB-CE1 3.67Å; F112-F137 HydrophobicContact CB-CE2 3.67Å; F112-F137 HydrophobicContact CB-CZ 3.25Å; F112-F137 HydrophobicContact CD2-CZ 4.44Å; F112-F137 HydrophobicContact CG-CE2 4.47Å; F112-F137 AromaticContact CG-CZ 3.91Å; F112-F137 HydrophobicContact CG-CZ 3.91Å; F112-F137 PolarHBondContact O-N 2.87Å; G114-F137 WeakPolarHBondContact O-CA 3.38Å; L116-F137 HydrophobicContact CD2-CD1 3.95Å; L116-F137 HydrophobicContact CD2-CE1 4.09Å; L116-F137 HydrophobicContact CD2-CG 4.32Å; L132-F137 HydrophobicContact CB-CD2 4.05Å; L132-F137 HydrophobicContact CB-CE2 3.8Å; L132-F137 HydrophobicContact CD1-CE2 4.36Å; L132-F137 HydrophobicContact CD2-CE2 4.1Å; L132-F137 HydrophobicContact CD2-CZ 4.34Å; L132-F137 HydrophobicContact CG-CE2 4.31Å; N135-F137 HydrophobicContact CB-CD2 3.61Å; N135-F137 HydrophobicContact CB-CE2 3.84Å; F137-N159 HydrophobicContact CB-CB 4.49Å; F137-N159 WeakPolarHBondContact CB-OD1 3.5Å; F137-N159 WeakPolarHBondContact CD2-OD1 3.17Å; F137-N159 PolarHBondContact N-OD1 2.81Å; F137-Q160 CarbonylContact O-C 3.19Å; F137-Q160 VanDerWaalsContact O-CA 3.24Å; F137-Q160 WeakPolarHBondContact O-CA 3.44Å; F137-Q160 WeakPolarHBondContact O-CB 3.48Å; F137-Q160 PolarHBondContact O-N 3.05Å; F137-F161 HydrophobicContact CB-CE1 3.76Å; F137-F161 HydrophobicContact CB-CE2 4.06Å; F137-F161 HydrophobicContact CB-CZ 3.4Å; F137-F161 HydrophobicContact CG-CZ 4.19Å
138S98.1Very high96.4Very high36 Ų3633.7 Ų33.725%0.25218%0.18SC..EExtended strand (participates in β ladder)trans-135.8178.3-170.563.80000112.1G114 P115 Q160G114-S138 WeakPolarHBondContact CA-OG 3.37Å; G114-S138 PolarHBondContact O-N 3.38Å; P115-S138 WeakPolarHBondContact CA-O 3.35Å; S138-Q160 WeakPolarHBondContact CA-O 3.44Å
139G98Very high96.4Very high24 Ų2437.6 Ų37.625%0.24720%0.204CC..EExtended strand (participates in β ladder)trans76.7-170.1178.900000112.9F161 T162G139-F161 CarbonylContact O-C 3.57Å; G139-F161 WeakPolarHBondContact O-CA 3.27Å; G139-T162 WeakPolarHBondContact CA-OG1 3.22Å; G139-T162 PolarHBondContact O-N 3.43Å; G139-T162 PolarHBondContact O-OG1 3.04Å
140E98Very high96.3Very high134 Ų13437.5 Ų37.563%0.62620%0.202SC*.EExtended strand (participates in β ladder)trans-78.9148.1-177.4-60.4-173.3169.700112.3P142 T162E140-P142 WeakPolarHBondContact O-CD 3.43Å; E140-T162 WeakPolarHBondContact CA-O 3.42Å
141I98.1Very high96Very high5 Ų537.5 Ų37.53%0.02620%0.202CC..PPolyproline II helixtrans-71.7118.2169.8-64.3167.1000107.3M143 I145 L156 F161 L165 P166 V180 L185I141-M143 PolarHBondContact O-N 3.46Å; I141-I145 HydrophobicContact CG2-CD1 4.43Å; I141-I145 HydrophobicContact CG2-CG2 4.03Å; I141-L156 HydrophobicContact CD1-CD1 3.72Å; I141-L156 HydrophobicContact CG1-CD1 4.12Å; I141-L156 HydrophobicContact CG2-CD1 4.36Å; I141-F161 HydrophobicContact CD1-CB 4.46Å; I141-F161 HydrophobicContact CD1-CG 4.46Å; I141-F161 HydrophobicContact CG1-CB 4.24Å; I141-F161 HydrophobicContact CG1-CD1 4Å; I141-F161 HydrophobicContact CG1-CG 4.01Å; I141-L165 HydrophobicContact CD1-CD2 3.83Å; I141-P166 HydrophobicContact CB-CG 4.47Å; I141-P166 HydrophobicContact CG2-CG 4.29Å; I141-P166 VanDerWaalsContact O-CG 3.27Å; I141-P166 WeakPolarHBondContact O-CG 3.4Å; I141-V180 HydrophobicContact CD1-CG1 4.42Å; I141-L185 HydrophobicContact CD1-CD1 4.2Å; I141-L185 HydrophobicContact CD1-CD2 4.08Å
142P97.4Very high95.5Very high16 Ų1636.3 Ų36.310%0.10420%0.196CC..PPolyproline II helixtrans-66.9131.1-172.526.2-34.2000110.6L116 I120 E140 L144 I145L116-P142 HydrophobicContact CB-CG 3.98Å; I120-P142 HydrophobicContact CG2-CG 3.88Å; E140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-L144 PolarHBondContact O-N 3.45Å; P142-L144 VanDerWaalsContact O-N 3.13Å; P142-I145 VanDerWaalsContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CB 3.47Å; P142-I145 WeakPolarHBondContact O-CG2 3.28Å; P142-I145 PolarHBondContact O-N 2.83Å
143M96.6Very high95.1Very high105 Ų10537 Ų3752%0.51720%0.2SC..G310 helixtrans-51.6-39178.3171.9176.742.600112.5I141 I145 S146 P166 Q168I141-M143 PolarHBondContact O-N 3.46Å; M143-I145 PolarHBondContact O-N 3.37Å; M143-S146 WeakPolarHBondContact O-CB 3.44Å; M143-S146 PolarHBondContact O-N 2.86Å; M143-S146 PolarHBondContact O-OG 2.8Å; M143-P166 HydrophobicContact CB-CB 4.39Å; M143-Q168 HydrophobicContact CG-CG 4.14Å; M143-Q168 HydrophobicContact SD-CG 4.3Å
144L96.2Very high95Very high68 Ų6836.8 Ų36.836%0.35620%0.199SC..G310 helixtrans-64.8-6.8-179.1-66.2-175.3000114.4A118 S121 P142 S146 N147A118-L144 WeakPolarHBondContact O-CB 3.34Å; A118-L144 WeakPolarHBondContact O-CD1 3.28Å; S121-L144 WeakPolarHBondContact CB-O 3.47Å; S121-L144 PolarHBondContact OG-O 3.07Å; S121-L144 VanDerWaalsContact OG-O 3.09Å; P142-L144 PolarHBondContact O-N 3.45Å; P142-L144 VanDerWaalsContact O-N 3.13Å; L144-S146 PolarHBondContact O-N 3.4Å; L144-N147 WeakPolarHBondContact O-CB 3.39Å; L144-N147 PolarHBondContact O-N 2.77Å
145I96.1Very high95Very high0 Ų034 Ų340%019%0.189CC..G310 helixtrans-60.3-27.3168.5-156.9171.3000111.7I120 L130 I141 P142 M143 N147 I148 L154 L169I120-I145 HydrophobicContact CG2-CB 4.01Å; I120-I145 HydrophobicContact CG2-CG1 4.2Å; L130-I145 HydrophobicContact CD2-CD1 4.38Å; I141-I145 HydrophobicContact CG2-CD1 4.43Å; I141-I145 HydrophobicContact CG2-CG2 4.03Å; P142-I145 VanDerWaalsContact O-CB 3.3Å; P142-I145 WeakPolarHBondContact O-CB 3.47Å; P142-I145 WeakPolarHBondContact O-CG2 3.28Å; P142-I145 PolarHBondContact O-N 2.83Å; M143-I145 PolarHBondContact O-N 3.37Å; I145-N147 PolarHBondContact O-N 3.14Å; I145-I148 HydrophobicContact CG1-CD1 3.98Å; I145-I148 PolarHBondContact O-N 3.01Å; I145-L154 HydrophobicContact CD1-CD1 3.9Å; I145-L154 HydrophobicContact CD1-CD2 4Å; I145-L169 HydrophobicContact CG2-CD2 3.62Å
146S93.5Very high95.1Very high7 Ų733.4 Ų33.45%0.04919%0.186CC..G310 helixtrans-66.3-14174.465.50000113.6M143 L144 I148 Q168 L172M143-S146 WeakPolarHBondContact O-CB 3.44Å; M143-S146 PolarHBondContact O-N 2.86Å; M143-S146 PolarHBondContact O-OG 2.8Å; L144-S146 PolarHBondContact O-N 3.4Å; S146-I148 VanDerWaalsContact C-N 3.3Å; S146-Q168 WeakPolarHBondContact CB-O 3.39Å; S146-Q168 WeakPolarHBondContact OG-CB 3.35Å; S146-L172 WeakPolarHBondContact O-CD2 3.49Å
147N95.4Very high95.1Very high89 Ų8932.3 Ų32.348%0.47618%0.177SC..G310 helixtrans-86.2-2.6178-66.712000112.6L144 I145 T149L144-N147 WeakPolarHBondContact O-CB 3.39Å; L144-N147 PolarHBondContact O-N 2.77Å; I145-N147 PolarHBondContact O-N 3.14Å; N147-T149 PolarHBondContact O-N 3.34Å
148I94.7Very high95Very high0 Ų035.3 Ų35.30%019%0.19CC..  trans-81.574.9171.4-50.9171000107.5I124 V127 I145 S146 F150 L151 L172I124-I148 HydrophobicContact CD1-CD1 3.8Å; I124-I148 HydrophobicContact CG1-CD1 3.87Å; I124-I148 WeakPolarHBondContact O-CG2 3.38Å; V127-I148 WeakPolarHBondContact O-CG2 3.1Å; I145-I148 HydrophobicContact CG1-CD1 3.98Å; I145-I148 PolarHBondContact O-N 3.01Å; S146-I148 VanDerWaalsContact C-N 3.3Å; I148-F150 PolarHBondContact O-N 2.99Å; I148-F150 VanDerWaalsContact O-N 3.08Å; I148-L151 HydrophobicContact CB-CB 4.33Å; I148-L151 HydrophobicContact CG2-CB 4.1Å; I148-L151 HydrophobicContact CG2-CD1 4.27Å; I148-L151 WeakPolarHBondContact O-CB 3.26Å; I148-L151 PolarHBondContact O-N 2.7Å; I148-L172 VanDerWaalsContact O-CD2 3.27Å; I148-L172 WeakPolarHBondContact O-CD2 3.34Å
149T90Very high95Very high84 Ų8434.2 Ų34.252%0.51518%0.182SC..THydrogen-bonded Turntrans-66.2-15.2-168.456.70000114.4N147 L151N147-T149 PolarHBondContact O-N 3.34Å; T149-L151 VanDerWaalsContact C-N 3.34Å
150F89.1Confident95Very high43 Ų4336.9 Ų36.919%0.18919%0.188CC..THydrogen-bonded Turntrans-84.8-4.6174.9-67.7-91.5000113.9L126 T128 I148 N152 M483L126-F150 HydrophobicContact CD2-CD2 4.15Å; L126-F150 HydrophobicContact CD2-CE2 3.91Å; L126-F150 HydrophobicContact CD2-CZ 4.49Å; T128-F150 WeakPolarHBondContact CA-O 3.4Å; T128-F150 HydrophobicContact CG2-CB 4.17Å; I148-F150 PolarHBondContact O-N 2.99Å; I148-F150 VanDerWaalsContact O-N 3.08Å; F150-N152 PolarHBondContact O-N 3.42Å; F150-N152 PolarHBondContact O-OD1 3.15Å; F150-N152 VanDerWaalsContact O-OD1 3.11Å; F150-M483 HydrophobicContact CD1-CE 4.15Å; F150-M483 HydrophobicContact CD1-CG 3.96Å; F150-M483 HydrophobicContact CE1-CG 3.73Å
151L91.8Very high95Very high0 Ų030.5 Ų30.50%016%0.158CC..  trans-67.7118.9-172.5-16171.6000111.9V127 L130 I148 T149 L154 L172 R174 L175V127-L151 HydrophobicContact CG1-CD1 4.29Å; L130-L151 HydrophobicContact CB-CD1 3.88Å; I148-L151 HydrophobicContact CB-CB 4.33Å; I148-L151 HydrophobicContact CG2-CB 4.1Å; I148-L151 HydrophobicContact CG2-CD1 4.27Å; I148-L151 WeakPolarHBondContact O-CB 3.26Å; I148-L151 PolarHBondContact O-N 2.7Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-L154 HydrophobicContact CD2-CB 3.8Å; L151-L154 HydrophobicContact CD2-CD1 4.23Å; L151-L154 HydrophobicContact CD2-CD2 3.93Å; L151-L154 HydrophobicContact CD2-CG 4.2Å; L151-L154 HydrophobicContact CG-CB 4.4Å; L151-L172 HydrophobicContact CD2-CD1 4.03Å; L151-R174 CarbonylContact O-C 3.57Å; L151-L175 HydrophobicContact CD2-CD1 4.29Å; L151-L175 HydrophobicContact CG-CD1 4.29Å; L151-L175 WeakPolarHBondContact O-CA 3.37Å; L151-L175 PolarHBondContact O-N 2.89Å
152N87.2Confident95Very high6 Ų632.8 Ų32.83%0.03217%0.172CC..  trans-108.3-31.2178.4-61.3-16.7000111.4T128 F150 R174 K176 T177 I457 N466T128-N152 WeakPolarHBondContact O-CA 2.86Å; T128-N152 PolarHBondContact O-N 3.36Å; F150-N152 PolarHBondContact O-N 3.42Å; F150-N152 PolarHBondContact O-OD1 3.15Å; F150-N152 VanDerWaalsContact O-OD1 3.11Å; N152-R174 WeakPolarHBondContact OD1-CB 3.33Å; N152-R174 PolarHBondContact OD1-O 3.37Å; N152-K176 PolarHBondContact O-N 2.92Å; N152-T177 PolarHBondContact O-N 3.31Å; N152-I457 HydrophobicContact CB-CD1 3.49Å; N152-I457 VanDerWaalsContact CB-CD1 3.49Å; N152-N466 PolarHBondContact ND2-OD1 3.4Å
153T88.8Confident95Very high14 Ų1433 Ų339%0.08618%0.177CC..EExtended strand (participates in β ladder)trans-129.5127.4177.3-65.10000110.8T128 I129 L130 M155 T177 I457T128-T153 PolarHBondContact O-N 3.05Å; I129-T153 HydrophobicContact CG2-CG2 4.24Å; L130-T153 PolarHBondContact N-O 3.23Å; T153-M155 HydrophobicContact CG2-CG 3.65Å; T153-M155 HydrophobicContact CG2-SD 3.91Å; T153-T177 CarbonylContact C-O 3.58Å; T153-T177 WeakPolarHBondContact CA-O 3.33Å; T153-T177 HydrophobicContact CG2-CG2 4.35Å; T153-I457 WeakPolarHBondContact OG1-CD1 3.44Å
154L96.1Very high95Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans-132104.417517956.1000110.1L130 I145 L151 L156 L169 L175 T177 F178 S179L130-L154 HydrophobicContact CB-CD1 4.27Å; L130-L154 HydrophobicContact CD2-CD1 3.91Å; L130-L154 HydrophobicContact CG-CD1 4.25Å; I145-L154 HydrophobicContact CD1-CD1 3.9Å; I145-L154 HydrophobicContact CD1-CD2 4Å; L151-L154 HydrophobicContact CD2-CB 3.8Å; L151-L154 HydrophobicContact CD2-CD1 4.23Å; L151-L154 HydrophobicContact CD2-CD2 3.93Å; L151-L154 HydrophobicContact CD2-CG 4.2Å; L151-L154 HydrophobicContact CG-CB 4.4Å; L154-L156 HydrophobicContact CD1-CD1 4.05Å; L154-L156 HydrophobicContact CD1-CD2 3.86Å; L154-L156 HydrophobicContact CD1-CG 3.81Å; L154-L156 HydrophobicContact CD2-CD1 4.23Å; L154-L156 HydrophobicContact CG-CD1 4.1Å; L154-L156 HydrophobicContact CG-CG 4.03Å; L154-L169 HydrophobicContact CD2-CD2 4.2Å; L154-L175 HydrophobicContact CB-CD1 3.87Å; L154-T177 PolarHBondContact N-O 2.75Å; L154-F178 HydrophobicContact CB-CD2 3.99Å; L154-F178 HydrophobicContact CD2-CD2 3.95Å; L154-F178 HydrophobicContact CD2-CE2 3.75Å; L154-F178 HydrophobicContact CG-CD2 3.98Å; L154-F178 HydrophobicContact CG-CE2 4.09Å; L154-F178 WeakPolarHBondContact O-CA 3.5Å; L154-S179 PolarHBondContact O-N 3.38Å; L154-S179 VanDerWaalsContact O-N 3.1Å
155M97.1Very high95.1Very high30 Ų3028.5 Ų28.515%0.14816%0.158CC..EExtended strand (participates in β ladder)trans-110.2109.2-178.4-52.3-57.2-73.700109.8L130 D131 L132 S133 T153 Q157 T177L130-M155 PolarHBondContact O-N 3.37Å; D131-M155 HydrophobicContact CB-CB 4.16Å; D131-M155 HydrophobicContact CB-CG 4.39Å; D131-M155 WeakPolarHBondContact OD1-CB 3.3Å; L132-M155 PolarHBondContact N-O 2.8Å; S133-M155 PolarHBondContact N-O 3.35Å; T153-M155 HydrophobicContact CG2-CG 3.65Å; T153-M155 HydrophobicContact CG2-SD 3.91Å; M155-Q157 VanDerWaalsContact CE-NE2 3.31Å; M155-T177 HydrophobicContact CE-CG2 4.46Å; M155-T177 HydrophobicContact SD-CG2 3.67Å
156L98.3Very high95.1Very high0 Ų029 Ų290%016%0.161CC..  trans-120.93.4-178-60.4179.7000112.4L132 I141 L154 N159 F161 S179 V180 N183L132-L156 HydrophobicContact CB-CD2 4.12Å; L132-L156 HydrophobicContact CD1-CD2 4.11Å; L132-L156 HydrophobicContact CG-CD2 4.45Å; I141-L156 HydrophobicContact CD1-CD1 3.72Å; I141-L156 HydrophobicContact CG1-CD1 4.12Å; I141-L156 HydrophobicContact CG2-CD1 4.36Å; L154-L156 HydrophobicContact CD1-CD1 4.05Å; L154-L156 HydrophobicContact CD1-CD2 3.86Å; L154-L156 HydrophobicContact CD1-CG 3.81Å; L154-L156 HydrophobicContact CD2-CD1 4.23Å; L154-L156 HydrophobicContact CG-CD1 4.1Å; L154-L156 HydrophobicContact CG-CG 4.03Å; L156-N159 PolarHBondContact O-ND2 3.34Å; L156-F161 HydrophobicContact CB-CD2 4.18Å; L156-F161 HydrophobicContact CB-CE2 3.89Å; L156-F161 HydrophobicContact CD2-CE2 3.98Å; L156-F161 HydrophobicContact CD2-CZ 4.26Å; L156-F161 HydrophobicContact CG-CE2 4.35Å; L156-S179 PolarHBondContact N-O 3.39Å; L156-V180 HydrophobicContact CB-CG1 4.2Å; L156-V180 HydrophobicContact CD1-CG1 4.33Å; L156-N183 PolarHBondContact O-ND2 3.22Å
157Q97.8Very high95.1Very high18 Ų1832.8 Ų32.88%0.08419%0.186CC..  trans-63.7155-176.371.5-76.94.200113.6S133 Y134 M155 N159 S179 S181S133-Q157 CarbonylContact C-O 3.59Å; S133-Q157 WeakPolarHBondContact CA-O 3.1Å; S133-Q157 VanDerWaalsContact CB-O 3.32Å; S133-Q157 WeakPolarHBondContact CB-O 3.19Å; S133-Q157 PolarHBondContact OG-NE2 2.85Å; Y134-Q157 PolarHBondContact N-O 3.26Å; M155-Q157 VanDerWaalsContact CE-NE2 3.31Å; Q157-N159 PolarHBondContact O-ND2 3.04Å; Q157-S179 PolarHBondContact N-O 2.88Å; Q157-S181 CarbonylContact C-O 3.54Å; Q157-S181 WeakPolarHBondContact CA-O 3.5Å; Q157-S181 VanDerWaalsContact CB-O 3.22Å; Q157-S181 WeakPolarHBondContact CB-O 3.33Å; Q157-S181 WeakPolarHBondContact CB-OG 3.19Å
158H97.4Very high95.1Very high62 Ų6231.4 Ų31.429%0.28718%0.176SC..SBendtrans54.960.1-176.5-62.7-76.4000112.2Y134 N135 S181 D182Y134-H158 VanDerWaalsContact CA-O 3.27Å; Y134-H158 WeakPolarHBondContact CA-O 3.38Å; Y134-H158 HydrophobicContact CD1-CB 3.85Å; Y134-H158 AromaticContact CD1-CD2 3.85Å; Y134-H158 AromaticContact CD1-CG 3.87Å; Y134-H158 HydrophobicContact CD2-CB 4.46Å; Y134-H158 HydrophobicContact CE1-CB 4.2Å; Y134-H158 AromaticContact CE1-CD2 3.31Å; Y134-H158 WeakPolarHBondContact CE1-CD2 3.29Å; Y134-H158 AromaticContact CE1-CG 3.7Å; Y134-H158 AromaticContact CE1-NE2 3.65Å; Y134-H158 AromaticContact CE2-CD2 3.6Å; Y134-H158 HydrophobicContact CG-CB 4Å; Y134-H158 AromaticContact CZ-CD2 3.15Å; Y134-H158 AromaticContact CZ-CG 4Å; Y134-H158 AromaticContact CZ-NE2 3.5Å; Y134-H158 PolarHBondContact N-O 3.09Å; Y134-H158 PolarHBondContact OH-CD2 3.13Å; Y134-H158 PolarHBondContact OH-NE2 3.23Å; N135-H158 PolarHBondContact N-O 3.42Å; N135-H158 VanDerWaalsContact N-O 3.11Å; H158-S181 PolarHBondContact N-O 3.15Å; H158-D182 VanDerWaalsContact CA-O 3.29Å; H158-D182 WeakPolarHBondContact CA-O 3.33Å; H158-D182 HydrophobicContact CB-CB 4.46Å; H158-D182 IonicContact CE1-OD1 3.81Å; H158-D182 IonicContact CE1-OD2 3.57Å; H158-D182 PolarHBondContact CE1-OD2 2.87Å; H158-D182 PolarHBondContact N-O 2.99Å; H158-D182 VanDerWaalsContact ND1-CB 3.32Å; H158-D182 WeakPolarHBondContact ND1-CB 3.35Å; H158-D182 IonicContact ND1-OD1 2.71Å; H158-D182 IonicContact ND1-OD2 3.96Å; H158-D182 IonicContact NE2-OD2 2.65Å
159N98Very high95Very high13 Ų1331.4 Ų31.47%0.0718%0.176CC..SBendtrans-135-164.6172.7-84.3-70.3000109.3L132 N135 S136 F137 L156 Q157 F161 D182 N183L132-N159 PolarHBondContact O-ND2 3.49Å; N135-N159 WeakPolarHBondContact CA-OD1 3.49Å; N135-N159 WeakPolarHBondContact CB-OD1 3.3Å; N135-N159 PolarHBondContact N-OD1 3.25Å; N135-N159 PolarHBondContact O-OD1 3.37Å; S136-N159 PolarHBondContact N-OD1 2.8Å; F137-N159 HydrophobicContact CB-CB 4.49Å; F137-N159 WeakPolarHBondContact CB-OD1 3.5Å; F137-N159 WeakPolarHBondContact CD2-OD1 3.17Å; F137-N159 PolarHBondContact N-OD1 2.81Å; L156-N159 PolarHBondContact O-ND2 3.34Å; Q157-N159 PolarHBondContact O-ND2 3.04Å; N159-F161 HydrophobicContact CB-CD2 3.59Å; N159-F161 HydrophobicContact CB-CE2 3.62Å; N159-F161 HydrophobicContact CB-CG 4.48Å; N159-D182 PolarHBondContact N-O 2.86Å; N159-N183 WeakPolarHBondContact CA-OD1 3.17Å; N159-N183 WeakPolarHBondContact CB-OD1 3.49Å; N159-N183 PolarHBondContact N-OD1 3.23Å; N159-N183 PolarHBondContact O-OD1 3.11Å
160Q97.9Very high95Very high80 Ų8028.6 Ų28.637%0.37416%0.162SC..EExtended strand (participates in β ladder)trans-119.829.1178.4-51.2-176.133.300111.6F137 S138 N183F137-Q160 CarbonylContact O-C 3.19Å; F137-Q160 VanDerWaalsContact O-CA 3.24Å; F137-Q160 WeakPolarHBondContact O-CA 3.44Å; F137-Q160 WeakPolarHBondContact O-CB 3.48Å; F137-Q160 PolarHBondContact O-N 3.05Å; S138-Q160 WeakPolarHBondContact CA-O 3.44Å; Q160-N183 PolarHBondContact N-OD1 2.78Å
161F98.5Very high95Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-63139.2179.3-68.3-63.1000111.4L116 F137 G139 I141 L156 N159 N183 R184 L185L116-F161 HydrophobicContact CD1-CE1 3.79Å; L116-F161 HydrophobicContact CD1-CZ 3.72Å; L116-F161 HydrophobicContact CD2-CZ 4.44Å; L116-F161 HydrophobicContact CG-CE1 3.79Å; L116-F161 HydrophobicContact CG-CZ 3.94Å; F137-F161 HydrophobicContact CB-CE1 3.76Å; F137-F161 HydrophobicContact CB-CE2 4.06Å; F137-F161 HydrophobicContact CB-CZ 3.4Å; F137-F161 HydrophobicContact CG-CZ 4.19Å; G139-F161 CarbonylContact O-C 3.57Å; G139-F161 WeakPolarHBondContact O-CA 3.27Å; I141-F161 HydrophobicContact CD1-CB 4.46Å; I141-F161 HydrophobicContact CD1-CG 4.46Å; I141-F161 HydrophobicContact CG1-CB 4.24Å; I141-F161 HydrophobicContact CG1-CD1 4Å; I141-F161 HydrophobicContact CG1-CG 4.01Å; L156-F161 HydrophobicContact CB-CD2 4.18Å; L156-F161 HydrophobicContact CB-CE2 3.89Å; L156-F161 HydrophobicContact CD2-CE2 3.98Å; L156-F161 HydrophobicContact CD2-CZ 4.26Å; L156-F161 HydrophobicContact CG-CE2 4.35Å; N159-F161 HydrophobicContact CB-CD2 3.59Å; N159-F161 HydrophobicContact CB-CE2 3.62Å; N159-F161 HydrophobicContact CB-CG 4.48Å; F161-N183 HydrophobicContact CB-CB 4.42Å; F161-N183 WeakPolarHBondContact CB-OD1 3.3Å; F161-N183 WeakPolarHBondContact CD2-OD1 3.23Å; F161-N183 PolarHBondContact N-OD1 3.43Å; F161-R184 CarbonylContact O-C 3.44Å; F161-R184 WeakPolarHBondContact O-CA 3.33Å; F161-R184 WeakPolarHBondContact O-CB 3.34Å; F161-R184 PolarHBondContact O-N 3.19Å; F161-L185 HydrophobicContact CB-CD2 4.07Å; F161-L185 HydrophobicContact CB-CG 4.46Å
162T97.9Very high94.9Very high54 Ų5433.9 Ų33.933%0.33119%0.187SC..EExtended strand (participates in β ladder)trans-123.2173.2-177.755.40000111G139 E140 R184G139-T162 WeakPolarHBondContact CA-OG1 3.22Å; G139-T162 PolarHBondContact O-N 3.43Å; G139-T162 PolarHBondContact O-OG1 3.04Å; E140-T162 WeakPolarHBondContact CA-O 3.42Å; T162-R184 HydrophobicContact CG2-CB 3.97Å
163G97.1Very high94.7Very high19 Ų1936.6 Ų36.620%0.19622%0.217CC..EExtended strand (participates in β ladder)trans81.2-16517800000112.7L185 V186G163-L185 WeakPolarHBondContact O-CA 3.22Å; G163-V186 PolarHBondContact O-N 2.95Å
164T96.8Very high94.5Very high76 Ų7639.2 Ų39.247%0.46623%0.225SC..PPolyproline II helixtrans-93.8154.7-179.458.70000111.5P166 V186T164-P166 WeakPolarHBondContact O-CD 3.27Å; T164-V186 WeakPolarHBondContact CA-O 3.47Å; T164-V186 HydrophobicContact CG2-CG2 4.36Å; T164-V186 WeakPolarHBondContact CG2-O 3.48Å
165L97Very high94.1Very high3 Ų339.2 Ų39.22%0.01623%0.225CC..PPolyproline II helixtrans-68127.7168.4-71.7175.5000109.3I141 P167 L169 F178 V180 L185 I189 P190 F203 L209I141-L165 HydrophobicContact CD1-CD2 3.83Å; L165-P167 WeakPolarHBondContact O-CD 3.42Å; L165-L169 HydrophobicContact CD2-CD1 4.29Å; L165-F178 HydrophobicContact CD1-CE1 4.49Å; L165-F178 HydrophobicContact CD2-CZ 4.1Å; L165-V180 HydrophobicContact CD1-CG2 4.28Å; L165-V180 HydrophobicContact CD2-CG1 4.06Å; L165-V180 HydrophobicContact CD2-CG2 4.37Å; L165-L185 HydrophobicContact CD2-CD1 3.87Å; L165-L185 HydrophobicContact CG-CD1 4.41Å; L165-I189 HydrophobicContact CD1-CG1 4.38Å; L165-P190 HydrophobicContact CB-CG 3.89Å; L165-F203 HydrophobicContact CD1-CD1 4.39Å; L165-F203 HydrophobicContact CD1-CE1 4.28Å; L165-L209 HydrophobicContact CD1-CD1 4.43Å; L165-L209 HydrophobicContact CD1-CD2 4.15Å; L165-L209 HydrophobicContact CG-CD2 4.28Å
166P96.1Very high93.4Very high10 Ų1040.8 Ų40.87%0.06523%0.231CC..PPolyproline II helixtrans-58.1122.9176.3-24.533000110.9I141 M143 T164 Q168 L169 P190I141-P166 HydrophobicContact CB-CG 4.47Å; I141-P166 HydrophobicContact CG2-CG 4.29Å; I141-P166 VanDerWaalsContact O-CG 3.27Å; I141-P166 WeakPolarHBondContact O-CG 3.4Å; M143-P166 HydrophobicContact CB-CB 4.39Å; T164-P166 WeakPolarHBondContact O-CD 3.27Å; P166-Q168 PolarHBondContact O-N 2.91Å; P166-Q168 VanDerWaalsContact O-N 3.07Å; P166-L169 HydrophobicContact CB-CG 4.4Å; P166-L169 WeakPolarHBondContact O-CB 3.42Å; P166-L169 WeakPolarHBondContact O-CG 3.08Å; P166-L169 PolarHBondContact O-N 2.8Å; P166-P190 WeakPolarHBondContact O-CG 3.24Å
167P94.3Very high92.8Very high88 Ų8843 Ų4357%0.57125%0.245SC*.G310 helixtrans-55.9-27.9178.1-27.735.7000113.5L165 L169 A170L165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-L169 PolarHBondContact O-N 2.77Å; P167-A170 WeakPolarHBondContact O-CB 3.38Å; P167-A170 PolarHBondContact O-N 2.94Å; P167-A170 VanDerWaalsContact O-N 3.16Å
168Q94.7Very high92.5Very high59 Ų5942.2 Ų42.228%0.27624%0.241SC..G310 helixtrans-63.3-18.4178.2-63.275.79.500113.1M143 S146 P166 A170 Q171M143-Q168 HydrophobicContact CG-CG 4.14Å; M143-Q168 HydrophobicContact SD-CG 4.3Å; S146-Q168 WeakPolarHBondContact CB-O 3.39Å; S146-Q168 WeakPolarHBondContact OG-CB 3.35Å; P166-Q168 PolarHBondContact O-N 2.91Å; P166-Q168 VanDerWaalsContact O-N 3.07Å; Q168-A170 PolarHBondContact O-N 3.38Å; Q168-A170 VanDerWaalsContact O-N 3.16Å; Q168-Q171 VanDerWaalsContact O-CB 3.25Å; Q168-Q171 WeakPolarHBondContact O-CB 3.36Å; Q168-Q171 PolarHBondContact O-N 2.97Å
169L93.7Very high92.4Very high0 Ų039.5 Ų39.50%023%0.229CC..G310 helixtrans-56.1-30172.3-74.8173.9000112.3I145 L154 L165 P166 P167 Q171 L172 F178 F192I145-L169 HydrophobicContact CG2-CD2 3.62Å; L154-L169 HydrophobicContact CD2-CD2 4.2Å; L165-L169 HydrophobicContact CD2-CD1 4.29Å; P166-L169 HydrophobicContact CB-CG 4.4Å; P166-L169 WeakPolarHBondContact O-CB 3.42Å; P166-L169 WeakPolarHBondContact O-CG 3.08Å; P166-L169 PolarHBondContact O-N 2.8Å; P167-L169 PolarHBondContact O-N 2.77Å; L169-Q171 PolarHBondContact O-N 2.82Å; L169-L172 HydrophobicContact CD2-CD1 3.89Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 2.87Å; L169-F178 HydrophobicContact CD1-CE2 4.48Å; L169-F178 HydrophobicContact CD1-CZ 3.96Å; L169-F192 HydrophobicContact CB-CE1 4.02Å; L169-F192 HydrophobicContact CB-CZ 4.13Å
170A90.4Very high92.4Very high26 Ų2638.9 Ų38.922%0.21523%0.226CC..G310 helixtrans-63.7-18.2175.500000113.6P167 Q168 L172 P190 N191P167-A170 WeakPolarHBondContact O-CB 3.38Å; P167-A170 PolarHBondContact O-N 2.94Å; P167-A170 VanDerWaalsContact O-N 3.16Å; Q168-A170 PolarHBondContact O-N 3.38Å; Q168-A170 VanDerWaalsContact O-N 3.16Å; A170-L172 VanDerWaalsContact C-N 3.32Å; A170-P190 HydrophobicContact CB-CB 4.13Å; A170-N191 WeakPolarHBondContact CB-O 3.37Å
171Q88.8Confident92.3Very high146 Ų14635.6 Ų35.668%0.68221%0.212SC*.G310 helixtrans-80.3-11.9178.4-58.6175.4-14.100113Q168 L169 G173Q168-Q171 VanDerWaalsContact O-CB 3.25Å; Q168-Q171 WeakPolarHBondContact O-CB 3.36Å; Q168-Q171 PolarHBondContact O-N 2.97Å; L169-Q171 PolarHBondContact O-N 2.82Å; Q171-G173 PolarHBondContact O-N 3.17Å
172L89.3Confident92.2Very high7 Ų737.7 Ų37.74%0.03722%0.223CC..  trans-72.879.4177-68.3173000110.2S146 I148 L151 L169 A170 R174 L175S146-L172 WeakPolarHBondContact O-CD2 3.49Å; I148-L172 VanDerWaalsContact O-CD2 3.27Å; I148-L172 WeakPolarHBondContact O-CD2 3.34Å; L151-L172 HydrophobicContact CD2-CD1 4.03Å; L169-L172 HydrophobicContact CD2-CD1 3.89Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 2.87Å; A170-L172 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.6Å; L172-L175 HydrophobicContact CB-CB 3.85Å; L172-L175 HydrophobicContact CB-CD2 4.47Å; L172-L175 HydrophobicContact CD1-CD2 4.25Å; L172-L175 WeakPolarHBondContact O-CB 3.4Å; L172-L175 PolarHBondContact O-N 2.59Å
173G83.1Confident92.2Very high63 Ų6335.7 Ų35.765%0.64921%0.21SC*.THydrogen-bonded Turntrans-61.8-10.9-174.700000115.4Q171Q171-G173 PolarHBondContact O-N 3.17Å
174R83.7Confident92.2Very high69 Ų6941.3 Ų41.326%0.2623%0.226SC..THydrogen-bonded Turntrans-101.8-9.2176.3-53.5-174.8160.3157.9-7.3114.4L151 N152 L172 K176L151-R174 CarbonylContact O-C 3.57Å; N152-R174 WeakPolarHBondContact OD1-CB 3.33Å; N152-R174 PolarHBondContact OD1-O 3.37Å; L172-R174 PolarHBondContact O-N 2.6Å; R174-K176 VanDerWaalsContact O-CG 3.26Å; R174-K176 WeakPolarHBondContact O-CG 3.48Å; R174-K176 PolarHBondContact O-N 3.03Å; R174-K176 VanDerWaalsContact O-N 3.13Å
175L87.9Confident92.3Very high0 Ų037.7 Ų37.70%020%0.203CC..  trans-64.3114.7-176.7-170.868.5000109.8L151 L154 L172 F178 F192 L196L151-L175 HydrophobicContact CD2-CD1 4.29Å; L151-L175 HydrophobicContact CG-CD1 4.29Å; L151-L175 WeakPolarHBondContact O-CA 3.37Å; L151-L175 PolarHBondContact O-N 2.89Å; L154-L175 HydrophobicContact CB-CD1 3.87Å; L172-L175 HydrophobicContact CB-CB 3.85Å; L172-L175 HydrophobicContact CB-CD2 4.47Å; L172-L175 HydrophobicContact CD1-CD2 4.25Å; L172-L175 WeakPolarHBondContact O-CB 3.4Å; L172-L175 PolarHBondContact O-N 2.59Å; L175-F178 HydrophobicContact CD2-CB 4Å; L175-F178 HydrophobicContact CD2-CD2 4.41Å; L175-F178 HydrophobicContact CD2-CG 4.15Å; L175-F178 HydrophobicContact CG-CB 4.3Å; L175-F192 HydrophobicContact CD2-CD1 4.47Å; L175-F192 HydrophobicContact CD2-CE1 3.88Å; L175-L196 WeakPolarHBondContact O-CD1 3.32Å; L175-L196 WeakPolarHBondContact O-CD2 3.03Å
176K82.6Confident92.3Very high64 Ų6439.9 Ų39.928%0.27822%0.217SC..  trans-112.7-24.5180-53.6-144.2-144.5157.60113.3N152 R174 L196 F198 I457 S462N152-K176 PolarHBondContact O-N 2.92Å; R174-K176 VanDerWaalsContact O-CG 3.26Å; R174-K176 WeakPolarHBondContact O-CG 3.48Å; R174-K176 PolarHBondContact O-N 3.03Å; R174-K176 VanDerWaalsContact O-N 3.13Å; K176-L196 HydrophobicContact CB-CD2 4.46Å; K176-F198 WeakPolarHBondContact O-CE1 3.38Å; K176-I457 HydrophobicContact CB-CG2 3.82Å; K176-I457 HydrophobicContact CD-CG2 3.31Å; K176-I457 HydrophobicContact CG-CG2 3.56Å; K176-I457 VanDerWaalsContact NZ-CG2 3.33Å; K176-I457 PolarHBondContact NZ-O 2.98Å; K176-S462 PolarHBondContact NZ-OG 3.35Å; K176-S462 VanDerWaalsContact NZ-OG 3.11Å
177T85.5Confident92.2Very high47 Ų4740.2 Ų40.229%0.28822%0.222SC..EExtended strand (participates in β ladder)trans-128.7121.7178.1-52.10000109.1N152 T153 L154 M155N152-T177 PolarHBondContact O-N 3.31Å; T153-T177 CarbonylContact C-O 3.58Å; T153-T177 WeakPolarHBondContact CA-O 3.33Å; T153-T177 HydrophobicContact CG2-CG2 4.35Å; L154-T177 PolarHBondContact N-O 2.75Å; M155-T177 HydrophobicContact CE-CG2 4.46Å; M155-T177 HydrophobicContact SD-CG2 3.67Å
178F92.7Very high92.2Very high0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-142.9128.9-177.6178.1-130.3000109.2L154 L165 L169 L175 V180 F192 F198 L202 F203L154-F178 HydrophobicContact CB-CD2 3.99Å; L154-F178 HydrophobicContact CD2-CD2 3.95Å; L154-F178 HydrophobicContact CD2-CE2 3.75Å; L154-F178 HydrophobicContact CG-CD2 3.98Å; L154-F178 HydrophobicContact CG-CE2 4.09Å; L154-F178 WeakPolarHBondContact O-CA 3.5Å; L165-F178 HydrophobicContact CD1-CE1 4.49Å; L165-F178 HydrophobicContact CD2-CZ 4.1Å; L169-F178 HydrophobicContact CD1-CE2 4.48Å; L169-F178 HydrophobicContact CD1-CZ 3.96Å; L175-F178 HydrophobicContact CD2-CB 4Å; L175-F178 HydrophobicContact CD2-CD2 4.41Å; L175-F178 HydrophobicContact CD2-CG 4.15Å; L175-F178 HydrophobicContact CG-CB 4.3Å; F178-V180 HydrophobicContact CD2-CG1 4.33Å; F178-V180 HydrophobicContact CE1-CG1 4.15Å; F178-V180 HydrophobicContact CE1-CG2 4.43Å; F178-V180 HydrophobicContact CE2-CG1 3.41Å; F178-V180 VanDerWaalsContact CE2-CG1 3.41Å; F178-V180 HydrophobicContact CZ-CB 4.44Å; F178-V180 HydrophobicContact CZ-CG1 3.31Å; F178-V180 HydrophobicContact CZ-CG2 4.32Å; F178-F192 HydrophobicContact CD1-CE1 4.49Å; F178-F192 HydrophobicContact CD1-CE2 4.06Å; F178-F192 AromaticContact CD1-CZ 3.72Å; F178-F192 HydrophobicContact CD1-CZ 3.72Å; F178-F192 HydrophobicContact CE1-CE2 4Å; F178-F192 AromaticContact CE1-CZ 3.6Å; F178-F192 HydrophobicContact CE1-CZ 3.6Å; F178-F192 HydrophobicContact CZ-CZ 4.47Å; F178-F198 HydrophobicContact CB-CD1 4.43Å; F178-F198 HydrophobicContact CB-CE1 3.9Å; F178-F198 HydrophobicContact CB-CZ 3.96Å; F178-L202 WeakPolarHBondContact O-CB 3.08Å; F178-L202 WeakPolarHBondContact O-CD1 3.11Å; F178-F203 HydrophobicContact CD1-CE1 4.03Å; F178-F203 HydrophobicContact CD1-CZ 4.06Å; F178-F203 AromaticContact CE1-CE1 3.74Å; F178-F203 HydrophobicContact CE1-CE1 3.74Å; F178-F203 HydrophobicContact CE1-CZ 4.23Å
179S94.8Very high92.2Very high5 Ų537.7 Ų37.74%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-143.2130.1175.8-172.70000110.9L154 L156 Q157L154-S179 PolarHBondContact O-N 3.38Å; L154-S179 VanDerWaalsContact O-N 3.1Å; L156-S179 PolarHBondContact N-O 3.39Å; Q157-S179 PolarHBondContact N-O 2.88Å
180V97.4Very high92.2Very high0 Ų038.2 Ų38.20%021%0.213CC..  trans-130.113.8177.6-66.60000111.5I141 L156 L165 F178 N183 L185 L202 F203 N206 L209I141-V180 HydrophobicContact CD1-CG1 4.42Å; L156-V180 HydrophobicContact CB-CG1 4.2Å; L156-V180 HydrophobicContact CD1-CG1 4.33Å; L165-V180 HydrophobicContact CD1-CG2 4.28Å; L165-V180 HydrophobicContact CD2-CG1 4.06Å; L165-V180 HydrophobicContact CD2-CG2 4.37Å; F178-V180 HydrophobicContact CD2-CG1 4.33Å; F178-V180 HydrophobicContact CE1-CG1 4.15Å; F178-V180 HydrophobicContact CE1-CG2 4.43Å; F178-V180 HydrophobicContact CE2-CG1 3.41Å; F178-V180 VanDerWaalsContact CE2-CG1 3.41Å; F178-V180 HydrophobicContact CZ-CB 4.44Å; F178-V180 HydrophobicContact CZ-CG1 3.31Å; F178-V180 HydrophobicContact CZ-CG2 4.32Å; V180-N183 PolarHBondContact O-ND2 2.98Å; V180-L185 HydrophobicContact CB-CD1 3.7Å; V180-L185 HydrophobicContact CG1-CD1 4.29Å; V180-L185 HydrophobicContact CG2-CD1 4.06Å; V180-L202 PolarHBondContact N-O 3.1Å; V180-F203 HydrophobicContact CG2-CD1 3.6Å; V180-F203 HydrophobicContact CG2-CE1 4.11Å; V180-F203 HydrophobicContact CG2-CG 4.46Å; V180-N206 PolarHBondContact O-ND2 3.02Å; V180-L209 HydrophobicContact CG2-CD1 4.2Å
181S96.4Very high92.1Very high11 Ų1143.8 Ų43.88%0.07724%0.239CC..  trans-56.6156.4178.477.20000111.9Q157 H158 N183 E201 L202 A204Q157-S181 CarbonylContact C-O 3.54Å; Q157-S181 WeakPolarHBondContact CA-O 3.5Å; Q157-S181 VanDerWaalsContact CB-O 3.22Å; Q157-S181 WeakPolarHBondContact CB-O 3.33Å; Q157-S181 WeakPolarHBondContact CB-OG 3.19Å; H158-S181 PolarHBondContact N-O 3.15Å; S181-N183 PolarHBondContact O-N 3.39Å; S181-N183 PolarHBondContact O-ND2 2.96Å; S181-E201 WeakPolarHBondContact CB-O 3.29Å; S181-L202 PolarHBondContact N-O 2.91Å; S181-A204 CarbonylContact C-O 3.42Å; S181-A204 WeakPolarHBondContact CA-O 3.48Å; S181-A204 WeakPolarHBondContact CB-O 3.36Å
182D96.3Very high91.8Very high45 Ų4537.7 Ų37.724%0.24121%0.21CC..SBendtrans58.353174.5-52.5-88.9000112.3H158 N159 A204 N205H158-D182 VanDerWaalsContact CA-O 3.29Å; H158-D182 WeakPolarHBondContact CA-O 3.33Å; H158-D182 HydrophobicContact CB-CB 4.46Å; H158-D182 IonicContact CE1-OD1 3.81Å; H158-D182 IonicContact CE1-OD2 3.57Å; H158-D182 PolarHBondContact CE1-OD2 2.87Å; H158-D182 PolarHBondContact N-O 2.99Å; H158-D182 VanDerWaalsContact ND1-CB 3.32Å; H158-D182 WeakPolarHBondContact ND1-CB 3.35Å; H158-D182 IonicContact ND1-OD1 2.71Å; H158-D182 IonicContact ND1-OD2 3.96Å; H158-D182 IonicContact NE2-OD2 2.65Å; N159-D182 PolarHBondContact N-O 2.86Å; D182-A204 PolarHBondContact N-O 3.05Å; D182-N205 WeakPolarHBondContact CA-O 3.3Å; D182-N205 HydrophobicContact CB-CB 4.42Å; D182-N205 WeakPolarHBondContact OD1-CB 3.27Å; D182-N205 PolarHBondContact OD1-ND2 2.85Å
183N97.5Very high91Very high11 Ų1142.3 Ų42.36%0.05924%0.235CC..SBendtrans-133.3-166.1175.5-84.8-75.2000109.9L156 N159 Q160 F161 V180 S181 L185 N205 N206L156-N183 PolarHBondContact O-ND2 3.22Å; N159-N183 WeakPolarHBondContact CA-OD1 3.17Å; N159-N183 WeakPolarHBondContact CB-OD1 3.49Å; N159-N183 PolarHBondContact N-OD1 3.23Å; N159-N183 PolarHBondContact O-OD1 3.11Å; Q160-N183 PolarHBondContact N-OD1 2.78Å; F161-N183 HydrophobicContact CB-CB 4.42Å; F161-N183 WeakPolarHBondContact CB-OD1 3.3Å; F161-N183 WeakPolarHBondContact CD2-OD1 3.23Å; F161-N183 PolarHBondContact N-OD1 3.43Å; V180-N183 PolarHBondContact O-ND2 2.98Å; S181-N183 PolarHBondContact O-N 3.39Å; S181-N183 PolarHBondContact O-ND2 2.96Å; N183-L185 HydrophobicContact CB-CD1 4.18Å; N183-L185 HydrophobicContact CB-CG 4.12Å; N183-N205 PolarHBondContact N-O 3.13Å; N183-N206 WeakPolarHBondContact CA-OD1 3.06Å; N183-N206 WeakPolarHBondContact CB-OD1 3.23Å; N183-N206 PolarHBondContact O-OD1 3.39Å
184R97.5Very high89.7Confident138 Ų13848.2 Ų48.252%0.52125%0.246SC..EExtended strand (participates in β ladder)trans-118.434.5178.3-57.4-178.9-176.8-163.72.5111.9F161 T162 L207F161-R184 CarbonylContact O-C 3.44Å; F161-R184 WeakPolarHBondContact O-CA 3.33Å; F161-R184 WeakPolarHBondContact O-CB 3.34Å; F161-R184 PolarHBondContact O-N 3.19Å; T162-R184 HydrophobicContact CG2-CB 3.97Å; R184-L207 HydrophobicContact CB-CD1 3.89Å; R184-L207 HydrophobicContact CB-CG 4.15Å
185L98Very high88.3Confident0 Ų050.9 Ų50.90%027%0.27CS..EExtended strand (participates in β ladder)trans-79.6154.4-177.2-60.3164.3000111.7I141 F161 G163 L165 V180 N183 N206 L207 D208 L209I141-L185 HydrophobicContact CD1-CD1 4.2Å; I141-L185 HydrophobicContact CD1-CD2 4.08Å; F161-L185 HydrophobicContact CB-CD2 4.07Å; F161-L185 HydrophobicContact CB-CG 4.46Å; G163-L185 WeakPolarHBondContact O-CA 3.22Å; L165-L185 HydrophobicContact CD2-CD1 3.87Å; L165-L185 HydrophobicContact CG-CD1 4.41Å; V180-L185 HydrophobicContact CB-CD1 3.7Å; V180-L185 HydrophobicContact CG1-CD1 4.29Å; V180-L185 HydrophobicContact CG2-CD1 4.06Å; N183-L185 HydrophobicContact CB-CD1 4.18Å; N183-L185 HydrophobicContact CB-CG 4.12Å; L185-N206 HydrophobicContact CB-CB 4.42Å; L185-N206 VanDerWaalsContact CB-OD1 3.3Å; L185-N206 WeakPolarHBondContact CB-OD1 3.29Å; L185-N206 PolarHBondContact N-OD1 2.65Å; L185-L207 PolarHBondContact O-N 3.14Å; L185-L207 VanDerWaalsContact O-N 3.09Å; L185-D208 PolarHBondContact O-N 2.95Å; L185-L209 HydrophobicContact CB-CD1 4.05Å; L185-L209 HydrophobicContact CB-CD2 3.91Å; L185-L209 HydrophobicContact CB-CG 3.93Å; L185-L209 HydrophobicContact CD1-CD1 4.35Å
186V96.8Very high87Confident49 Ų4952.9 Ų52.930%0.29728%0.281SS..EExtended strand (participates in β ladder)trans-137.5162.7-179.8-63.50000111.1G163 T164 L207 D208G163-V186 PolarHBondContact O-N 2.95Å; T164-V186 WeakPolarHBondContact CA-O 3.47Å; T164-V186 HydrophobicContact CG2-CG2 4.36Å; T164-V186 WeakPolarHBondContact CG2-O 3.48Å; V186-L207 HydrophobicContact CG1-CB 3.71Å; V186-L207 HydrophobicContact CG1-CD1 4.33Å; V186-D208 CarbonylContact C-O 3.56Å; V186-D208 HydrophobicContact CB-CB 4.36Å; V186-D208 HydrophobicContact CG1-CB 4.08Å
187G95.2Very high86.5Confident17 Ų1758.5 Ų58.518%0.17531%0.308CS..EExtended strand (participates in β ladder)trans86.3-170171.100000114.6D208 L209 C210G187-D208 PolarHBondContact N-O 3.36Å; G187-L209 WeakPolarHBondContact O-CA 3.44Å; G187-L209 WeakPolarHBondContact O-CD2 3.45Å; G187-C210 PolarHBondContact O-N 2.99Å
188P94.9Very high86.4Confident78 Ų7857.2 Ų57.251%0.50630%0.298SS..EExtended strand (participates in β ladder)trans-72.3138.9-170.928.2-34.2000112.7C210P188-C210 CarbonylContact C-O 3.46Å; P188-C210 VanDerWaalsContact CA-O 3.32Å; P188-C210 WeakPolarHBondContact CA-O 3.37Å
189I94.1Very high86.1Confident15 Ų1563.3 Ų63.38%0.07733%0.325CS..PPolyproline II helixtrans-70.5129.4167-64.7173.4000108.5L165 F192 F203 C210 L214L165-I189 HydrophobicContact CD1-CG1 4.38Å; I189-F192 HydrophobicContact CG2-CE2 4.17Å; I189-F203 HydrophobicContact CD1-CB 3.83Å; I189-F203 HydrophobicContact CD1-CD1 3.47Å; I189-F203 VanDerWaalsContact CD1-CD1 3.47Å; I189-F203 HydrophobicContact CD1-CD2 4.01Å; I189-F203 HydrophobicContact CD1-CE1 3.96Å; I189-F203 HydrophobicContact CD1-CE2 4.44Å; I189-F203 HydrophobicContact CD1-CG 3.49Å; I189-F203 VanDerWaalsContact CD1-CG 3.49Å; I189-F203 HydrophobicContact CD1-CZ 4.42Å; I189-F203 HydrophobicContact CG1-CD1 3.89Å; I189-F203 HydrophobicContact CG1-CE1 4.16Å; I189-F203 HydrophobicContact CG1-CG 4.4Å; I189-F203 HydrophobicContact CG2-CD1 4.24Å; I189-F203 HydrophobicContact CG2-CE1 3.63Å; I189-F203 HydrophobicContact CG2-CZ 3.87Å; I189-C210 PolarHBondContact N-O 2.91Å; I189-L214 HydrophobicContact CD1-CB 4.36Å; I189-L214 HydrophobicContact CD1-CD1 3.48Å; I189-L214 VanDerWaalsContact CD1-CD1 3.48Å; I189-L214 HydrophobicContact CD1-CG 3.71Å; I189-L214 HydrophobicContact CG1-CD1 4.47Å
190P92.5Very high85.8Confident12 Ų1268 Ų688%0.07835%0.346CS..PPolyproline II helixtrans-56.4140174.6-25.234.3000111.4L165 P166 A170 F192L165-P190 HydrophobicContact CB-CG 3.89Å; P166-P190 WeakPolarHBondContact O-CG 3.24Å; A170-P190 HydrophobicContact CB-CB 4.13Å; P190-F192 HydrophobicContact CB-CE2 4.22Å; P190-F192 HydrophobicContact CB-CZ 4.28Å; P190-F192 WeakPolarHBondContact O-CD2 3.41Å; P190-F192 WeakPolarHBondContact O-CE2 3.41Å; P190-F192 PolarHBondContact O-N 3.43Å
191N88.2Confident85.4Confident143 Ų14373.7 Ų73.777%0.76537%0.373SS*.  trans-76.692.3177.3-171.219.9000110.2A170A170-N191 WeakPolarHBondContact CB-O 3.37Å
192F83.8Confident85.2Confident17 Ų1775 Ų758%0.07538%0.379CS..  trans-67.7150.2172.2-60.3-85.2000110.3L169 L175 F178 I189 P190 Q194 F198 F203L169-F192 HydrophobicContact CB-CE1 4.02Å; L169-F192 HydrophobicContact CB-CZ 4.13Å; L175-F192 HydrophobicContact CD2-CD1 4.47Å; L175-F192 HydrophobicContact CD2-CE1 3.88Å; F178-F192 HydrophobicContact CD1-CE1 4.49Å; F178-F192 HydrophobicContact CD1-CE2 4.06Å; F178-F192 AromaticContact CD1-CZ 3.72Å; F178-F192 HydrophobicContact CD1-CZ 3.72Å; F178-F192 HydrophobicContact CE1-CE2 4Å; F178-F192 AromaticContact CE1-CZ 3.6Å; F178-F192 HydrophobicContact CE1-CZ 3.6Å; F178-F192 HydrophobicContact CZ-CZ 4.47Å; I189-F192 HydrophobicContact CG2-CE2 4.17Å; P190-F192 HydrophobicContact CB-CE2 4.22Å; P190-F192 HydrophobicContact CB-CZ 4.28Å; P190-F192 WeakPolarHBondContact O-CD2 3.41Å; P190-F192 WeakPolarHBondContact O-CE2 3.41Å; P190-F192 PolarHBondContact O-N 3.43Å; F192-Q194 PolarHBondContact O-N 3.08Å; F192-F198 HydrophobicContact CB-CD2 4.26Å; F192-F198 HydrophobicContact CB-CE2 3.88Å; F192-F198 AromaticContact CD1-CE2 3.94Å; F192-F198 HydrophobicContact CD1-CE2 3.94Å; F192-F198 AromaticContact CD2-CD2 3.88Å; F192-F198 HydrophobicContact CD2-CD2 3.88Å; F192-F198 AromaticContact CD2-CE2 3.86Å; F192-F198 HydrophobicContact CD2-CE2 3.86Å; F192-F198 HydrophobicContact CE1-CE2 4.47Å; F192-F198 HydrophobicContact CE2-CD2 4.45Å; F192-F198 HydrophobicContact CE2-CE2 4.4Å; F192-F198 HydrophobicContact CG-CD2 4.06Å; F192-F198 AromaticContact CG-CE2 3.62Å; F192-F198 HydrophobicContact CG-CE2 3.62Å; F192-F203 HydrophobicContact CE2-CZ 4.43Å
193N72.2Confident85.1Confident104 Ų10473 Ų7356%0.55637%0.368SS*.  trans-52140.7179.3-76.6-11.9000111.8T195 L196N193-T195 PolarHBondContact O-N 2.82Å; N193-L196 PolarHBondContact O-N 3.45Å
194Q55.5Low84.8Confident187 Ų18774 Ų7487%0.87438%0.378SS*.THydrogen-bonded Turntrans-56.7-18.9-169.1-65.8-178.1-9.500115.3F192 L196F192-Q194 PolarHBondContact O-N 3.08Å; Q194-L196 PolarHBondContact O-N 2.9Å
195T54.7Low84.6Confident126 Ų12672.9 Ų72.977%0.77338%0.382SS*.THydrogen-bonded Turntrans-69.4-17.4176.148.10000113.1N193N193-T195 PolarHBondContact O-N 2.82Å
196L61.4Low84.4Confident42 Ų4274.2 Ų74.222%0.2239%0.389CS..  trans-102.289.5-179.7-64.2166.1000110.5L175 K176 N193 Q194 F198L175-L196 WeakPolarHBondContact O-CD1 3.32Å; L175-L196 WeakPolarHBondContact O-CD2 3.03Å; K176-L196 HydrophobicContact CB-CD2 4.46Å; N193-L196 PolarHBondContact O-N 3.45Å; Q194-L196 PolarHBondContact O-N 2.9Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 HydrophobicContact CB-CD2 4.3Å; L196-F198 HydrophobicContact CB-CE2 3.86Å; L196-F198 HydrophobicContact CB-CZ 4.05Å; L196-F198 HydrophobicContact CD1-CE2 4.18Å; L196-F198 HydrophobicContact CD1-CZ 4.11Å; L196-F198 HydrophobicContact CD2-CZ 4.36Å; L196-F198 HydrophobicContact CG-CZ 4.41Å; L196-F198 PolarHBondContact O-N 3.1Å
197Q70.6Confident84.2Confident182 Ų18277.8 Ų77.885%0.8541%0.406SS*.  trans-80.378.4170.7-69.8-172.810.300110.5K199Q197-K199 PolarHBondContact O-N 3.29Å
198F83Confident84.1Confident20 Ų2082.1 Ų82.19%0.08843%0.425CS..  trans-63.1132.1168.7-64.4-58.2000109.8K176 F178 F192 L196 L202 F203 P213K176-F198 WeakPolarHBondContact O-CE1 3.38Å; F178-F198 HydrophobicContact CB-CD1 4.43Å; F178-F198 HydrophobicContact CB-CE1 3.9Å; F178-F198 HydrophobicContact CB-CZ 3.96Å; F192-F198 HydrophobicContact CB-CD2 4.26Å; F192-F198 HydrophobicContact CB-CE2 3.88Å; F192-F198 AromaticContact CD1-CE2 3.94Å; F192-F198 HydrophobicContact CD1-CE2 3.94Å; F192-F198 AromaticContact CD2-CD2 3.88Å; F192-F198 HydrophobicContact CD2-CD2 3.88Å; F192-F198 AromaticContact CD2-CE2 3.86Å; F192-F198 HydrophobicContact CD2-CE2 3.86Å; F192-F198 HydrophobicContact CE1-CE2 4.47Å; F192-F198 HydrophobicContact CE2-CD2 4.45Å; F192-F198 HydrophobicContact CE2-CE2 4.4Å; F192-F198 HydrophobicContact CG-CD2 4.06Å; F192-F198 AromaticContact CG-CE2 3.62Å; F192-F198 HydrophobicContact CG-CE2 3.62Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 HydrophobicContact CB-CD2 4.3Å; L196-F198 HydrophobicContact CB-CE2 3.86Å; L196-F198 HydrophobicContact CB-CZ 4.05Å; L196-F198 HydrophobicContact CD1-CE2 4.18Å; L196-F198 HydrophobicContact CD1-CZ 4.11Å; L196-F198 HydrophobicContact CD2-CZ 4.36Å; L196-F198 HydrophobicContact CG-CZ 4.41Å; L196-F198 PolarHBondContact O-N 3.1Å; F198-L202 HydrophobicContact CB-CD1 4.04Å; F198-L202 HydrophobicContact CD1-CD1 3.95Å; F198-L202 HydrophobicContact CG-CD1 4.45Å; F198-F203 HydrophobicContact CB-CE2 3.76Å; F198-F203 HydrophobicContact CB-CZ 4.2Å; F198-P213 WeakPolarHBondContact O-CB 3.14Å; F198-P213 VanDerWaalsContact O-CG 3.32Å; F198-P213 WeakPolarHBondContact O-CG 3.49Å
199K87.6Confident84.1Confident127 Ų12779.2 Ų79.255%0.55241%0.406SS*.  trans-75.9151179-66178.3-179.4179.30110.9Q197 E201 L202Q197-K199 PolarHBondContact O-N 3.29Å; K199-E201 HydrophobicContact CB-CG 3.77Å; K199-E201 HydrophobicContact CD-CG 4.43Å; K199-E201 WeakPolarHBondContact CD-OE1 3.45Å; K199-E201 IonicContact NZ-OE1 3.14Å; K199-E201 PolarHBondContact O-N 3.13Å; K199-L202 WeakPolarHBondContact O-CB 3.22Å; K199-L202 PolarHBondContact O-N 2.7Å; K199-L202 VanDerWaalsContact O-N 3.08Å
200Q88.7Confident84.1Confident105 Ų10579.5 Ų79.549%0.49141%0.408SS..G310 helixtrans-53.7-36.6178.7-165.1-177.12.300113.3L202 F203 A204 L214Q200-L202 PolarHBondContact O-N 2.98Å; Q200-L202 VanDerWaalsContact O-N 3.16Å; Q200-F203 PolarHBondContact O-N 3.44Å; Q200-F203 VanDerWaalsContact O-N 3.09Å; Q200-A204 PolarHBondContact O-N 2.78Å; Q200-L214 HydrophobicContact CG-CD2 3.27Å; Q200-L214 HydrophobicContact CG-CG 4.34Å
201E89.2Confident84Confident118 Ų11879.5 Ų79.555%0.55141%0.41SS*.G310 helixtrans-56.3-28.8178.762.8-151-159.300114S181 K199 F203 A204S181-E201 WeakPolarHBondContact CB-O 3.29Å; K199-E201 HydrophobicContact CB-CG 3.77Å; K199-E201 HydrophobicContact CD-CG 4.43Å; K199-E201 WeakPolarHBondContact CD-OE1 3.45Å; K199-E201 IonicContact NZ-OE1 3.14Å; K199-E201 PolarHBondContact O-N 3.13Å; E201-F203 PolarHBondContact O-N 3.32Å; E201-A204 PolarHBondContact O-N 3.15Å
202L91.9Very high84Confident40 Ų4079.4 Ų79.421%0.20940%0.403CS..G310 helixtrans-71.7-11.6-179.5-57.8173.2000113.3F178 V180 S181 F198 K199 Q200F178-L202 WeakPolarHBondContact O-CB 3.08Å; F178-L202 WeakPolarHBondContact O-CD1 3.11Å; V180-L202 PolarHBondContact N-O 3.1Å; S181-L202 PolarHBondContact N-O 2.91Å; F198-L202 HydrophobicContact CB-CD1 4.04Å; F198-L202 HydrophobicContact CD1-CD1 3.95Å; F198-L202 HydrophobicContact CG-CD1 4.45Å; K199-L202 WeakPolarHBondContact O-CB 3.22Å; K199-L202 PolarHBondContact O-N 2.7Å; K199-L202 VanDerWaalsContact O-N 3.08Å; Q200-L202 PolarHBondContact O-N 2.98Å; Q200-L202 VanDerWaalsContact O-N 3.16Å
203F94.9Very high84.3Confident1 Ų180.8 Ų80.80%0.00441%0.414CS..G310 helixtrans-120-3.8179.8-56.4-87.5000113.1L165 F178 V180 I189 F192 F198 Q200 E201 N206 L209 P213 L214L165-F203 HydrophobicContact CD1-CD1 4.39Å; L165-F203 HydrophobicContact CD1-CE1 4.28Å; F178-F203 HydrophobicContact CD1-CE1 4.03Å; F178-F203 HydrophobicContact CD1-CZ 4.06Å; F178-F203 AromaticContact CE1-CE1 3.74Å; F178-F203 HydrophobicContact CE1-CE1 3.74Å; F178-F203 HydrophobicContact CE1-CZ 4.23Å; V180-F203 HydrophobicContact CG2-CD1 3.6Å; V180-F203 HydrophobicContact CG2-CE1 4.11Å; V180-F203 HydrophobicContact CG2-CG 4.46Å; I189-F203 HydrophobicContact CD1-CB 3.83Å; I189-F203 HydrophobicContact CD1-CD1 3.47Å; I189-F203 VanDerWaalsContact CD1-CD1 3.47Å; I189-F203 HydrophobicContact CD1-CD2 4.01Å; I189-F203 HydrophobicContact CD1-CE1 3.96Å; I189-F203 HydrophobicContact CD1-CE2 4.44Å; I189-F203 HydrophobicContact CD1-CG 3.49Å; I189-F203 VanDerWaalsContact CD1-CG 3.49Å; I189-F203 HydrophobicContact CD1-CZ 4.42Å; I189-F203 HydrophobicContact CG1-CD1 3.89Å; I189-F203 HydrophobicContact CG1-CE1 4.16Å; I189-F203 HydrophobicContact CG1-CG 4.4Å; I189-F203 HydrophobicContact CG2-CD1 4.24Å; I189-F203 HydrophobicContact CG2-CE1 3.63Å; I189-F203 HydrophobicContact CG2-CZ 3.87Å; F192-F203 HydrophobicContact CE2-CZ 4.43Å; F198-F203 HydrophobicContact CB-CE2 3.76Å; F198-F203 HydrophobicContact CB-CZ 4.2Å; Q200-F203 PolarHBondContact O-N 3.44Å; Q200-F203 VanDerWaalsContact O-N 3.09Å; E201-F203 PolarHBondContact O-N 3.32Å; F203-N206 PolarHBondContact O-ND2 3.14Å; F203-L209 HydrophobicContact CB-CD1 4.29Å; F203-L209 HydrophobicContact CD1-CD1 4.38Å; F203-P213 HydrophobicContact CD2-CG 3.62Å; F203-P213 HydrophobicContact CE2-CG 3.63Å; F203-L214 HydrophobicContact CB-CD1 3.94Å; F203-L214 HydrophobicContact CB-CD2 4.3Å; F203-L214 HydrophobicContact CB-CG 4.18Å
204A91Very high85.1Confident33 Ų3376.9 Ų76.927%0.27339%0.393SS..  trans-62.4164.3-175.200000112.9S181 D182 Q200 E201 N206S181-A204 CarbonylContact C-O 3.42Å; S181-A204 WeakPolarHBondContact CA-O 3.48Å; S181-A204 WeakPolarHBondContact CB-O 3.36Å; D182-A204 PolarHBondContact N-O 3.05Å; Q200-A204 PolarHBondContact O-N 2.78Å; E201-A204 PolarHBondContact O-N 3.15Å; A204-N206 VanDerWaalsContact C-N 3.26Å; A204-N206 PolarHBondContact O-N 3.29Å; A204-N206 PolarHBondContact O-ND2 2.83Å
205N91.9Very high86.7Confident115 Ų11574.3 Ų74.362%0.61539%0.385SS*.SBendtrans56.737.5175.5-53.2-27.9000113.9D182 N183D182-N205 WeakPolarHBondContact CA-O 3.3Å; D182-N205 HydrophobicContact CB-CB 4.42Å; D182-N205 WeakPolarHBondContact OD1-CB 3.27Å; D182-N205 PolarHBondContact OD1-ND2 2.85Å; N183-N205 PolarHBondContact N-O 3.13Å
206N95.1Very high88.4Confident28 Ų2873.4 Ų73.415%0.1538%0.376CS..  trans-104.2169.4166.6-83-76.6000110.5V180 N183 L185 F203 A204 L209V180-N206 PolarHBondContact O-ND2 3.02Å; N183-N206 WeakPolarHBondContact CA-OD1 3.06Å; N183-N206 WeakPolarHBondContact CB-OD1 3.23Å; N183-N206 PolarHBondContact O-OD1 3.39Å; L185-N206 HydrophobicContact CB-CB 4.42Å; L185-N206 VanDerWaalsContact CB-OD1 3.3Å; L185-N206 WeakPolarHBondContact CB-OD1 3.29Å; L185-N206 PolarHBondContact N-OD1 2.65Å; F203-N206 PolarHBondContact O-ND2 3.14Å; A204-N206 VanDerWaalsContact C-N 3.26Å; A204-N206 PolarHBondContact O-N 3.29Å; A204-N206 PolarHBondContact O-ND2 2.83Å; N206-L209 HydrophobicContact CB-CB 4.21Å; N206-L209 HydrophobicContact CB-CD1 3.73Å; N206-L209 HydrophobicContact CB-CG 3.78Å
207L92.3Very high89.7Confident123 Ų12373.7 Ų73.764%0.64438%0.381SS*.SBendtrans-66.9-51.2-175.6-76.2177.5000112.5R184 L185 V186R184-L207 HydrophobicContact CB-CD1 3.89Å; R184-L207 HydrophobicContact CB-CG 4.15Å; L185-L207 PolarHBondContact O-N 3.14Å; L185-L207 VanDerWaalsContact O-N 3.09Å; V186-L207 HydrophobicContact CG1-CB 3.71Å; V186-L207 HydrophobicContact CG1-CD1 4.33Å
208D93.3Very high90.3Very high108 Ų10874.8 Ų74.858%0.57838%0.383SS*.EExtended strand (participates in β ladder)trans-159.847-176.5-163.334000111.4L185 V186 G187L185-D208 PolarHBondContact O-N 2.95Å; V186-D208 CarbonylContact C-O 3.56Å; V186-D208 HydrophobicContact CB-CB 4.36Å; V186-D208 HydrophobicContact CG1-CB 4.08Å; G187-D208 PolarHBondContact N-O 3.36Å
209L95Very high89.4Confident18 Ų1879 Ų799%0.09442%0.415CS..EExtended strand (participates in β ladder)trans-70.5138.3169.7-77.3-178.8000109.8L165 V180 L185 G187 F203 N206 L214L165-L209 HydrophobicContact CD1-CD1 4.43Å; L165-L209 HydrophobicContact CD1-CD2 4.15Å; L165-L209 HydrophobicContact CG-CD2 4.28Å; V180-L209 HydrophobicContact CG2-CD1 4.2Å; L185-L209 HydrophobicContact CB-CD1 4.05Å; L185-L209 HydrophobicContact CB-CD2 3.91Å; L185-L209 HydrophobicContact CB-CG 3.93Å; L185-L209 HydrophobicContact CD1-CD1 4.35Å; G187-L209 WeakPolarHBondContact O-CA 3.44Å; G187-L209 WeakPolarHBondContact O-CD2 3.45Å; F203-L209 HydrophobicContact CB-CD1 4.29Å; F203-L209 HydrophobicContact CD1-CD1 4.38Å; N206-L209 HydrophobicContact CB-CB 4.21Å; N206-L209 HydrophobicContact CB-CD1 3.73Å; N206-L209 HydrophobicContact CB-CG 3.78Å; L209-L214 HydrophobicContact CB-CD1 3.64Å; L209-L214 VanDerWaalsContact O-CD1 3.23Å; L209-L214 WeakPolarHBondContact O-CD1 3.32Å
210C93.6Very high87.8Confident20 Ų2078.2 Ų78.214%0.13543%0.432CS..EExtended strand (participates in β ladder)trans-144167.9-178.663.30000111.9G187 P188 I189 C217G187-C210 PolarHBondContact O-N 2.99Å; P188-C210 CarbonylContact C-O 3.46Å; P188-C210 VanDerWaalsContact CA-O 3.32Å; P188-C210 WeakPolarHBondContact CA-O 3.37Å; I189-C210 PolarHBondContact N-O 2.91Å; C210-C217 HydrophobicContact CB-CB 3.87Å; C210-C217 WeakPolarHBondContact CB-SG 3.49Å; C210-C217 WeakPolarHBondContact SG-CA 3.44Å; C210-C217 WeakPolarHBondContact SG-CB 3.48Å; C210-C217 CovalentContact SG-SG 2.04Å; C210-C217 PolarHBondContact SG-SG 3.46Å
211G90.4Very high85.9Confident12 Ų1278 Ų7812%0.12444%0.442CS..SBendtrans90.3158.5-17400000112.5L214 D215G211-L214 CarbonylContact C-O 3.5Å; G211-L214 CarbonylContact O-C 3.59Å; G211-L214 WeakPolarHBondContact O-CA 3.49Å; G211-L214 VanDerWaalsContact O-CB 3.32Å; G211-L214 WeakPolarHBondContact O-CB 3.25Å; G211-L214 PolarHBondContact O-N 3.12Å; G211-D215 PolarHBondContact N-O 3.22Å
212K88.7Confident83.7Confident141 Ų14178.1 Ų78.161%0.61346%0.456SS*.THydrogen-bonded Turntrans-54134.8-174.3-58.1-59.7175-148.60111.1D216K212-D216 WeakPolarHBondContact CE-OD1 3.5Å; K212-D216 IonicContact NZ-OD1 2.87Å; K212-D216 PolarHBondContact NZ-OD1 3.32Å; K212-D216 IonicContact NZ-OD2 3.18Å; K212-D216 PolarHBondContact NZ-OD2 3.05Å
213P88.9Confident81.5Confident46 Ų4681.3 Ų81.330%0.29948%0.481SS..THydrogen-bonded Turncis-85.31.710.136.5-40.8000115.9F198 F203F198-P213 WeakPolarHBondContact O-CB 3.14Å; F198-P213 VanDerWaalsContact O-CG 3.32Å; F198-P213 WeakPolarHBondContact O-CG 3.49Å; F203-P213 HydrophobicContact CD2-CG 3.62Å; F203-P213 HydrophobicContact CE2-CG 3.63Å
214L89.7Confident78.8Confident22 Ų2293 Ų9312%0.11553%0.526CS..SBendtrans-79.1-177.4173.3-57.9172.9000111.2I189 Q200 F203 L209 G211I189-L214 HydrophobicContact CD1-CB 4.36Å; I189-L214 HydrophobicContact CD1-CD1 3.48Å; I189-L214 VanDerWaalsContact CD1-CD1 3.48Å; I189-L214 HydrophobicContact CD1-CG 3.71Å; I189-L214 HydrophobicContact CG1-CD1 4.47Å; Q200-L214 HydrophobicContact CG-CD2 3.27Å; Q200-L214 HydrophobicContact CG-CG 4.34Å; F203-L214 HydrophobicContact CB-CD1 3.94Å; F203-L214 HydrophobicContact CB-CD2 4.3Å; F203-L214 HydrophobicContact CB-CG 4.18Å; L209-L214 HydrophobicContact CB-CD1 3.64Å; L209-L214 VanDerWaalsContact O-CD1 3.23Å; L209-L214 WeakPolarHBondContact O-CD1 3.32Å; G211-L214 CarbonylContact C-O 3.5Å; G211-L214 CarbonylContact O-C 3.59Å; G211-L214 WeakPolarHBondContact O-CA 3.49Å; G211-L214 VanDerWaalsContact O-CB 3.32Å; G211-L214 WeakPolarHBondContact O-CB 3.25Å; G211-L214 PolarHBondContact O-N 3.12Å
215D89.3Confident76.1Confident134 Ų13494.6 Ų94.672%0.71755%0.545SS*.SBendtrans-60.6149.7170.1-65.3-32.2000111.2G211G211-D215 PolarHBondContact N-O 3.22Å
216D89Confident73.4Confident106 Ų10698.7 Ų98.757%0.56756%0.558SS**PPolyproline II helixtrans-63.9143.1-177.2-62-42000111.4K212 K218K212-D216 WeakPolarHBondContact CE-OD1 3.5Å; K212-D216 IonicContact NZ-OD1 2.87Å; K212-D216 PolarHBondContact NZ-OD1 3.32Å; K212-D216 IonicContact NZ-OD2 3.18Å; K212-D216 PolarHBondContact NZ-OD2 3.05Å; D216-K218 PolarHBondContact O-N 2.88Å
217C89Confident70.6Confident49 Ų49103.6 Ų103.633%0.33159%0.588SS.*PPolyproline II helixtrans-60131178.4-65.40000110.8C210 S219C210-C217 HydrophobicContact CB-CB 3.87Å; C210-C217 WeakPolarHBondContact CB-SG 3.49Å; C210-C217 WeakPolarHBondContact SG-CA 3.44Å; C210-C217 WeakPolarHBondContact SG-CB 3.48Å; C210-C217 CovalentContact SG-SG 2.04Å; C210-C217 PolarHBondContact SG-SG 3.46Å; C217-S219 PolarHBondContact O-N 3.04Å; C217-S219 VanDerWaalsContact O-N 3.09Å
218K84.6Confident68Low204 Ų204103.3 Ų103.389%0.88759%0.591SS**  trans-66.1111.8175.8-65.3175.6-175.6167.30108.7D216D216-K218 PolarHBondContact O-N 2.88Å
219S62.9Low65.1Low109 Ų109104.8 Ų104.876%0.76260%0.598SS**  trans-55.2142.8162.9-66.90000108.8C217 S221C217-S219 PolarHBondContact O-N 3.04Å; C217-S219 VanDerWaalsContact O-N 3.09Å; S219-S221 PolarHBondContact O-N 3.21Å
220A54.5Low62.2Low111 Ų111111.1 Ų111.192%0.91763%0.63SS**  trans-58.378.2-17900000111.8S222A220-S222 PolarHBondContact O-N 2.93Å
221S47.8Very low59.3Low101 Ų101113.9 Ų113.971%0.70665%0.654SS**  trans-75.4112.8162.6175.80000105.7S219 S223S219-S221 PolarHBondContact O-N 3.21Å; S221-S223 PolarHBondContact O-N 3.03Å
222S43.4Very low56.8Low119 Ų119117.7 Ų117.783%0.83268%0.684SS**  trans-62.186.1168.866.10000109A220A220-S222 PolarHBondContact O-N 2.93Å
223S46.1Very low54.8Low107 Ų107118.2 Ų118.275%0.74870%0.699SS**  trans-104.9102.2163.180.40000108.7S221S221-S223 PolarHBondContact O-N 3.03Å
224R38.5Very low52.5Low247 Ų247117.7 Ų117.793%0.93270%0.702SS**  trans-56131169.3-77.5173.7169.4170.1-3.4109.5
225G34.4Very low50.5Low66 Ų66119.9 Ų119.968%0.6873%0.73SS**  trans72.5111.9134.100000117.2
226K34.9Very low48.6Very low202 Ų202121 Ų12188%0.87874%0.735SS**  -164.485.2119.5-98.6166.8-164.5-174.60108.2V228K226-V228 PolarHBondContact O-N 3.19Å
227V36.7Very low47.1Very low131 Ų131120.3 Ų120.379%0.79474%0.735SS**  trans-72.8102.8161176.90000105.9I229V227-I229 HydrophobicContact CG1-CG1 3.91Å
228V36.9Very low46Very low116 Ų116120.6 Ų120.670%0.70374%0.741SS**  trans-90.5102.8165.1174.70000106.9K226 I230K226-V228 PolarHBondContact O-N 3.19Å; V228-I230 HydrophobicContact CG1-CD1 4.21Å; V228-I230 HydrophobicContact CG1-CG1 4Å; V228-I230 PolarHBondContact O-N 3.05Å
229I33.2Very low45.2Very low139 Ų139113.5 Ų113.571%0.71372%0.72SS**  trans-70.9109.7166.1-59.6173.6000106.6V227 A231V227-I229 HydrophobicContact CG1-CG1 3.91Å; I229-A231 HydrophobicContact CG2-CB 4.43Å
230I34.2Very low45.8Very low152 Ų152111.4 Ų111.478%0.77971%0.71SS**  trans-123.388.3152.9-62.3178.3000106.5V228V228-I230 HydrophobicContact CG1-CD1 4.21Å; V228-I230 HydrophobicContact CG1-CG1 4Å; V228-I230 PolarHBondContact O-N 3.05Å
231A31.8Very low47.1Very low78 Ų78112.1 Ų112.165%0.64570%0.697SS**  trans-71.3157.9160.300000109.7I229I229-A231 HydrophobicContact CG2-CB 4.43Å
232A38.4Very low48.7Very low91 Ų91111.7 Ų111.775%0.75269%0.69SS**  trans73.595.8171.900000115.3
233V46.4Very low50.6Low152 Ų152110 Ų11092%0.92168%0.675SS**  17196100.3-176.60000106
234G40.8Very low52.3Low36 Ų36106.8 Ų106.837%0.37166%0.658SS.*  trans-160.68.9-175.100000117.3L236 T237 A238G234-L236 PolarHBondContact O-N 3.35Å; G234-T237 PolarHBondContact O-N 2.77Å; G234-T237 PolarHBondContact O-OG1 2.95Å; G234-T237 VanDerWaalsContact O-OG1 3.07Å; G234-A238 PolarHBondContact O-N 2.82Å
235G47.3Very low54.4Low67 Ų6798.8 Ų98.869%0.69164%0.637SS**Hα-helixtrans-61.3-28.2-178.300000114
236L49.1Very low56.8Low158 Ų158100 Ų10083%0.82763%0.63SS**Hα-helixtrans-84.2-31.6178.3-85165.3000113.5G234 A240G234-L236 PolarHBondContact O-N 3.35Å; L236-A240 PolarHBondContact O-N 3.07Å
237T57.9Low59.1Low92 Ų9294.4 Ų94.456%0.56461%0.61SS**Hα-helixtrans-77.8-37-179.151.70000111.9G234 A240 L241G234-T237 PolarHBondContact O-N 2.77Å; G234-T237 PolarHBondContact O-OG1 2.95Å; G234-T237 VanDerWaalsContact O-OG1 3.07Å; T237-A240 PolarHBondContact O-N 2.75Å; T237-L241 VanDerWaalsContact O-CG 3.29Å; T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.82Å
238A66.2Low61.4Low55 Ų5594 Ų9446%0.45560%0.597SS.*Hα-helixtrans-64.1-42.1175.800000112.3G234 L241 V242G234-A238 PolarHBondContact O-N 2.82Å; A238-L241 PolarHBondContact O-N 3.47Å; A238-V242 VanDerWaalsContact O-CG2 3.31Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 2.8Å
239A67.4Low63.5Low55 Ų5594.8 Ų94.846%0.45559%0.592SS.*Hα-helixtrans-65.9-42.417800000112.3L241 V242 V243A239-L241 VanDerWaalsContact C-N 3.35Å; A239-L241 PolarHBondContact O-N 2.81Å; A239-V242 PolarHBondContact O-N 2.94Å; A239-V243 WeakPolarHBondContact O-CG2 3.33Å; A239-V243 PolarHBondContact O-N 2.94Å
240A76.2Confident65.6Low65 Ų6594.9 Ų94.954%0.53758%0.584SS.*Hα-helixtrans-63.8-38.6176.700000112.5L236 T237 V243 G244L236-A240 PolarHBondContact O-N 3.07Å; T237-A240 PolarHBondContact O-N 2.75Å; A240-V243 PolarHBondContact O-N 2.8Å; A240-G244 PolarHBondContact O-N 3.34Å
241L81.4Confident67.7Low125 Ų12594.1 Ų94.165%0.65458%0.575SS**Hα-helixtrans-64.6-43.8174.5-73.4170000111.7T237 A238 A239 G244 V245T237-L241 VanDerWaalsContact O-CG 3.29Å; T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.82Å; A238-L241 PolarHBondContact O-N 3.47Å; A239-L241 VanDerWaalsContact C-N 3.35Å; A239-L241 PolarHBondContact O-N 2.81Å; L241-G244 PolarHBondContact O-N 3.47Å; L241-V245 VanDerWaalsContact O-CG2 3.26Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 2.9Å
242V81.5Confident69.7Low93 Ų9398.8 Ų98.856%0.56458%0.576SS**Hα-helixtrans-62.5-45.4176.5172.50000111.1A238 A239 G244 V245 V246A238-V242 VanDerWaalsContact O-CG2 3.31Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 2.8Å; A239-V242 PolarHBondContact O-N 2.94Å; V242-G244 PolarHBondContact O-N 3.07Å; V242-V245 PolarHBondContact O-N 2.87Å; V242-V246 WeakPolarHBondContact O-CG2 3.36Å; V242-V246 PolarHBondContact O-N 3.49Å
243V82.6Confident70.5Confident83 Ų83100.2 Ų100.250%0.50357%0.566SS.*Hα-helixtrans-63.4-42.1177.2173.20000111.4A239 A240 V245 V246 L247A239-V243 WeakPolarHBondContact O-CG2 3.33Å; A239-V243 PolarHBondContact O-N 2.94Å; A240-V243 PolarHBondContact O-N 2.8Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.92Å; V243-V246 PolarHBondContact O-N 3.02Å; V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.28Å; V243-L247 WeakPolarHBondContact O-CB 3.44Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.4Å
244G81.5Confident70.9Confident39 Ų3996 Ų9640%0.40254%0.538SS..Hα-helixtrans-60.3-41.6176.200000112.7A240 L241 V242 F248A240-G244 PolarHBondContact O-N 3.34Å; L241-G244 PolarHBondContact O-N 3.47Å; V242-G244 PolarHBondContact O-N 3.07Å; G244-F248 WeakPolarHBondContact O-CB 3.34Å; G244-F248 PolarHBondContact O-N 2.64Å
245V83.2Confident71.3Confident79 Ų7997 Ų9748%0.47955%0.548SS..Hα-helixtrans-65.3-44.9175.1172.10000111L241 V242 V243 F248 F249L241-V245 VanDerWaalsContact O-CG2 3.26Å; L241-V245 WeakPolarHBondContact O-CG2 3.27Å; L241-V245 PolarHBondContact O-N 2.9Å; V242-V245 PolarHBondContact O-N 2.87Å; V243-V245 VanDerWaalsContact C-N 3.34Å; V243-V245 PolarHBondContact O-N 2.92Å; V245-F248 WeakPolarHBondContact O-CB 3.42Å; V245-F248 PolarHBondContact O-N 2.74Å; V245-F249 HydrophobicContact CG1-CD2 3.75Å; V245-F249 HydrophobicContact CG1-CE2 3.55Å; V245-F249 WeakPolarHBondContact O-CD2 3.39Å; V245-F249 PolarHBondContact O-N 3.02Å
246V84.3Confident71.4Confident91 Ų9197 Ų9755%0.55254%0.541SS*.Hα-helixtrans-62.5-44.8177.7171.80000111.7V242 V243 F249 Y250V242-V246 WeakPolarHBondContact O-CG2 3.36Å; V242-V246 PolarHBondContact O-N 3.49Å; V243-V246 PolarHBondContact O-N 3.02Å; V246-F249 PolarHBondContact O-N 2.96Å; V246-Y250 WeakPolarHBondContact O-CB 3.4Å; V246-Y250 PolarHBondContact O-N 2.78Å
247L84.6Confident71.2Confident85 Ų8594.5 Ų94.545%0.44553%0.532SS..Hα-helixtrans-63.8-41.8176.9-73.5173.2000111.6V243 F249 Y250 F251V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.28Å; V243-L247 WeakPolarHBondContact O-CB 3.44Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.4Å; L247-F249 VanDerWaalsContact C-N 3.33Å; L247-F249 PolarHBondContact O-N 2.86Å; L247-Y250 PolarHBondContact O-N 2.93Å; L247-Y250 VanDerWaalsContact O-N 3.17Å; L247-F251 HydrophobicContact CB-CD2 4.4Å; L247-F251 HydrophobicContact CB-CE2 4.39Å; L247-F251 HydrophobicContact CD2-CE2 4.35Å; L247-F251 WeakPolarHBondContact O-CD2 3.25Å; L247-F251 PolarHBondContact O-N 2.72Å
248F84.8Confident70.3Confident122 Ų12299.9 Ų99.954%0.53554%0.542SS..Hα-helixtrans-57.2-45.5174.5175-99.9000111.8G244 V245 R252G244-F248 WeakPolarHBondContact O-CB 3.34Å; G244-F248 PolarHBondContact O-N 2.64Å; V245-F248 WeakPolarHBondContact O-CB 3.42Å; V245-F248 PolarHBondContact O-N 2.74Å; F248-R252 PolarHBondContact O-N 2.87Å
249F80.1Confident69Low133 Ų133106.3 Ų106.358%0.58356%0.56SS**Hα-helixtrans-66.5-38.8175-78.5-67.8000112.6V245 V246 L247 R252 K253V245-F249 HydrophobicContact CG1-CD2 3.75Å; V245-F249 HydrophobicContact CG1-CE2 3.55Å; V245-F249 WeakPolarHBondContact O-CD2 3.39Å; V245-F249 PolarHBondContact O-N 3.02Å; V246-F249 PolarHBondContact O-N 2.96Å; L247-F249 VanDerWaalsContact C-N 3.33Å; L247-F249 PolarHBondContact O-N 2.86Å; F249-R252 PolarHBondContact O-N 3.46Å; F249-K253 WeakPolarHBondContact O-CB 3.37Å; F249-K253 PolarHBondContact O-N 3.41Å
250Y78.6Confident67.9Low142 Ų142108.4 Ų108.456%0.55756%0.559SS**Hα-helixtrans-63.1-45.5176.9-171-96.4000112V246 L247 K253 L254V246-Y250 WeakPolarHBondContact O-CB 3.4Å; V246-Y250 PolarHBondContact O-N 2.78Å; L247-Y250 PolarHBondContact O-N 2.93Å; L247-Y250 VanDerWaalsContact O-N 3.17Å; Y250-K253 WeakPolarHBondContact O-CB 3.33Å; Y250-K253 PolarHBondContact O-N 2.91Å; Y250-L254 HydrophobicContact CD1-CD1 4.14Å; Y250-L254 HydrophobicContact CE1-CD1 3.56Å; Y250-L254 PolarHBondContact O-N 3.5Å
251F77.9Confident66.7Low135 Ų135113.3 Ų113.359%0.59257%0.571SS**Hα-helixtrans-69.5-36.3177.1-75.3-65.3000112.9L247 K253 L254 G255L247-F251 HydrophobicContact CB-CD2 4.4Å; L247-F251 HydrophobicContact CB-CE2 4.39Å; L247-F251 HydrophobicContact CD2-CE2 4.35Å; L247-F251 WeakPolarHBondContact O-CD2 3.25Å; L247-F251 PolarHBondContact O-N 2.72Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.14Å; F251-L254 PolarHBondContact O-N 3.17Å; F251-G255 PolarHBondContact O-N 2.81Å
252R73.6Confident65.4Low176 Ų176114.6 Ų114.666%0.66458%0.578SS**Hα-helixtrans-59.9-40.7168.6-101-174.288.3122.8-1.9111.6F248 F249 G255 A256F248-R252 PolarHBondContact O-N 2.87Å; F249-R252 PolarHBondContact O-N 3.46Å; R252-G255 PolarHBondContact O-N 2.98Å; R252-A256 WeakPolarHBondContact O-CB 3.41Å; R252-A256 PolarHBondContact O-N 3.15Å
253K55.3Low64.8Low121 Ų121112.5 Ų112.553%0.52656%0.564SS.*Hα-helixtrans-68-40.7178.6-153.6-178.1-175.8-168.30111.6F249 Y250 F251 A256 V257F249-K253 WeakPolarHBondContact O-CB 3.37Å; F249-K253 PolarHBondContact O-N 3.41Å; Y250-K253 WeakPolarHBondContact O-CB 3.33Å; Y250-K253 PolarHBondContact O-N 2.91Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 3.14Å; K253-A256 PolarHBondContact O-N 3.12Å; K253-V257 WeakPolarHBondContact O-CG2 3.42Å; K253-V257 PolarHBondContact O-N 2.84Å; K253-V257 VanDerWaalsContact O-N 3.12Å
254L54.4Low64.1Low65 Ų65114.2 Ų114.234%0.3458%0.577SS.*Hα-helixtrans-64-39.4173.3-119.688.4000112.3Y250 F251 A256 V257 R258Y250-L254 HydrophobicContact CD1-CD1 4.14Å; Y250-L254 HydrophobicContact CE1-CD1 3.56Å; Y250-L254 PolarHBondContact O-N 3.5Å; F251-L254 PolarHBondContact O-N 3.17Å; L254-A256 VanDerWaalsContact C-N 3.35Å; L254-V257 PolarHBondContact O-N 3.21Å; L254-R258 PolarHBondContact O-N 2.68Å
255G48.8Very low63.5Low56 Ų56116.8 Ų116.858%0.57758%0.578SS**Hα-helixtrans-64.2-37.7174.400000112.8F251 R252 V257 R258F251-G255 PolarHBondContact O-N 2.81Å; R252-G255 PolarHBondContact O-N 2.98Å; G255-V257 VanDerWaalsContact C-N 3.34Å; G255-R258 PolarHBondContact O-N 3.38Å
256A50.1Low63Low67 Ų67114.9 Ų114.955%0.55458%0.575SS**Hα-helixtrans-70.3-27.6176.500000113.5R252 K253 L254R252-A256 WeakPolarHBondContact O-CB 3.41Å; R252-A256 PolarHBondContact O-N 3.15Å; K253-A256 PolarHBondContact O-N 3.12Å; L254-A256 VanDerWaalsContact C-N 3.35Å
257V44.2Very low62.8Low106 Ų106110.6 Ų110.664%0.64255%0.548SS*.Hα-helixtrans-80.6-28.2177.6173.30000112K253 L254 G255 K259K253-V257 WeakPolarHBondContact O-CG2 3.42Å; K253-V257 PolarHBondContact O-N 2.84Å; K253-V257 VanDerWaalsContact O-N 3.12Å; L254-V257 PolarHBondContact O-N 3.21Å; G255-V257 VanDerWaalsContact C-N 3.34Å; V257-K259 PolarHBondContact O-N 3.24Å
258R39.6Very low62.6Low204 Ų204112 Ų11277%0.7755%0.548SS*.SBendtrans-81.63.8-167-93.4-174174.7178.4-0.4118.3L254 G255L254-R258 PolarHBondContact O-N 2.68Å; G255-R258 PolarHBondContact O-N 3.38Å
259K39.1Very low62.5Low191 Ų191107.3 Ų107.383%0.8353%0.527SS*.  trans-15184.3169-79-168.7176.2176.80112.7V257V257-K259 PolarHBondContact O-N 3.24Å
260K45.1Very low62.6Low98 Ų98101 Ų10143%0.42650%0.499SS..  trans-124.485.1156.6-77.3-178-165.7172.60108.2Y48Y48-K260 HydrophobicContact CE1-CD 4.34Å; Y48-K260 WeakPolarHBondContact OH-CD 3.43Å; Y48-K260 WeakPolarHBondContact OH-CE 3.21Å; Y48-K260 PolarHBondContact OH-NZ 3.2Å
261Q51Low62.7Low168 Ų16898 Ų9879%0.78549%0.489SS*.  trans-73.4148.8169.4-160.7165.20.900108.2R268Q261-R268 VanDerWaalsContact O-CZ 3.32Å; Q261-R268 PolarHBondContact O-NH2 2.71Å
262D53.9Low62.9Low152 Ų15295.6 Ų95.681%0.81349%0.488SS*.  trans-62.1149.1172.3-75-39.6000111.2P264D262-P264 WeakPolarHBondContact O-CD 3.37Å
263D67.9Low63.3Low50 Ų5087.4 Ų87.427%0.26746%0.458SS..  trans-118.771.6176.6-176.426.4000111.1E265 G266 N267 R268D263-E265 PolarHBondContact O-N 3.3Å; D263-G266 PolarHBondContact O-N 3Å; D263-G266 VanDerWaalsContact O-N 3.17Å; D263-G266 PolarHBondContact OD1-N 3.27Å; D263-G266 VanDerWaalsContact OD2-C 3.27Å; D263-G266 WeakPolarHBondContact OD2-CA 3.27Å; D263-N267 PolarHBondContact OD1-N 3.18Å; D263-N267 PolarHBondContact OD2-N 3.19Å; D263-R268 HydrophobicContact CB-CB 4.26Å; D263-R268 VanDerWaalsContact CB-NH2 3.33Å; D263-R268 PolarHBondContact OD1-N 3.07Å; D263-R268 WeakPolarHBondContact OD2-CB 3.41Å; D263-R268 PolarHBondContact OD2-N 3.14Å
264P68.9Low64.3Low118 Ų11887.2 Ų87.277%0.76646%0.457SS*.THydrogen-bonded Turntrans-63.6-29.6-177.324.4-33.1000113D262 G266D262-P264 WeakPolarHBondContact O-CD 3.37Å; P264-G266 VanDerWaalsContact C-N 3.34Å
265E69.1Low65Low94 Ų9487.6 Ų87.644%0.43948%0.476SS..THydrogen-bonded Turntrans-81.9-11.2178.6-71.1173.9-167.500113.3D263 N267 K271 K305D263-E265 PolarHBondContact O-N 3.3Å; E265-N267 HydrophobicContact CB-CB 4.47Å; E265-N267 WeakPolarHBondContact CB-OD1 3.45Å; E265-N267 PolarHBondContact O-N 2.68Å; E265-N267 PolarHBondContact OE2-ND2 3.01Å; E265-N267 PolarHBondContact OE2-OD1 3.26Å; E265-K271 IonicContact OE2-NZ 3.54Å; E265-K271 PolarHBondContact OE2-NZ 3.39Å; E265-K305 PolarHBondContact O-N 3.27Å
266G71.5Confident66Low39 Ų3988.1 Ų88.140%0.40246%0.464SS..SBendtrans6614.7-177.600000114.7D263 P264D263-G266 PolarHBondContact O-N 3Å; D263-G266 VanDerWaalsContact O-N 3.17Å; D263-G266 PolarHBondContact OD1-N 3.27Å; D263-G266 VanDerWaalsContact OD2-C 3.27Å; D263-G266 WeakPolarHBondContact OD2-CA 3.27Å; P264-G266 VanDerWaalsContact C-N 3.34Å
267N81Confident67Low0 Ų094.6 Ų94.60%048%0.479CS..  trans-115.117.2-168.869.3-4.5000114D263 E265 W269 A270 K271 E302D263-N267 PolarHBondContact OD1-N 3.18Å; D263-N267 PolarHBondContact OD2-N 3.19Å; E265-N267 HydrophobicContact CB-CB 4.47Å; E265-N267 WeakPolarHBondContact CB-OD1 3.45Å; E265-N267 PolarHBondContact O-N 2.68Å; E265-N267 PolarHBondContact OE2-ND2 3.01Å; E265-N267 PolarHBondContact OE2-OD1 3.26Å; N267-W269 PolarHBondContact O-N 2.69Å; N267-W269 VanDerWaalsContact O-N 3.15Å; N267-A270 HydrophobicContact CB-CB 4.49Å; N267-A270 WeakPolarHBondContact O-CB 3.49Å; N267-A270 PolarHBondContact O-N 3.04Å; N267-K271 PolarHBondContact O-N 3.45Å; N267-K271 WeakPolarHBondContact OD1-CE 3.47Å; N267-K271 PolarHBondContact OD1-NZ 3.11Å; N267-E302 WeakPolarHBondContact CB-O 3.46Å; N267-E302 PolarHBondContact ND2-O 3.19Å; N267-E302 VanDerWaalsContact ND2-O 3.13Å
268R79.2Confident68.2Low115 Ų11593 Ų9343%0.43449%0.485SS..Hα-helixtrans-53.1-38.1178.6-175.3-171.2-51-156.71.9113.3Q261 D263 A270 K271 S272Q261-R268 VanDerWaalsContact O-CZ 3.32Å; Q261-R268 PolarHBondContact O-NH2 2.71Å; D263-R268 HydrophobicContact CB-CB 4.26Å; D263-R268 VanDerWaalsContact CB-NH2 3.33Å; D263-R268 PolarHBondContact OD1-N 3.07Å; D263-R268 WeakPolarHBondContact OD2-CB 3.41Å; D263-R268 PolarHBondContact OD2-N 3.14Å; R268-A270 VanDerWaalsContact C-N 3.35Å; R268-K271 PolarHBondContact O-N 2.86Å; R268-S272 PolarHBondContact O-N 2.96Å
269W82.7Confident70.1Confident24 Ų2484.6 Ų84.69%0.09146%0.456CS..Hα-helixtrans-60.5-44.3176.969.6-87.7000111.3N267 S272 L273 F303 Y318 R332 E370 L372N267-W269 PolarHBondContact O-N 2.69Å; N267-W269 VanDerWaalsContact O-N 3.15Å; W269-S272 WeakPolarHBondContact O-CB 3.31Å; W269-S272 PolarHBondContact O-N 2.84Å; W269-S272 VanDerWaalsContact O-N 3.15Å; W269-S272 PolarHBondContact O-OG 2.77Å; W269-L273 HydrophobicContact CE3-CD1 4.27Å; W269-L273 HydrophobicContact CZ3-CD1 3.98Å; W269-F303 HydrophobicContact CH2-CB 4.13Å; W269-F303 AromaticContact CH2-CD1 3.68Å; W269-F303 HydrophobicContact CH2-CD1 3.68Å; W269-F303 AromaticContact CH2-CD2 3.77Å; W269-F303 HydrophobicContact CH2-CD2 3.77Å; W269-F303 AromaticContact CH2-CE1 3.97Å; W269-F303 HydrophobicContact CH2-CE1 3.97Å; W269-F303 HydrophobicContact CH2-CE2 4.05Å; W269-F303 AromaticContact CH2-CG 3.58Å; W269-F303 HydrophobicContact CH2-CG 3.58Å; W269-F303 HydrophobicContact CH2-CZ 4.15Å; W269-F303 HydrophobicContact CZ2-CB 3.54Å; W269-F303 AromaticContact CZ2-CD1 3.77Å; W269-F303 HydrophobicContact CZ2-CD1 3.77Å; W269-F303 HydrophobicContact CZ2-CD2 4.08Å; W269-F303 HydrophobicContact CZ2-CE1 4.49Å; W269-F303 AromaticContact CZ2-CG 3.52Å; W269-F303 HydrophobicContact CZ2-CG 3.52Å; W269-Y318 HydrophobicContact CZ2-CE2 4.39Å; W269-R332 VanDerWaalsContact CB-NH2 3.34Å; W269-R332 VanDerWaalsContact CD2-NE 3.31Å; W269-R332 VanDerWaalsContact CG-NH1 3.32Å; W269-R332 VanDerWaalsContact CG-NH2 3.29Å; W269-R332 HydrophobicContact CH2-CB 4.22Å; W269-R332 HydrophobicContact CH2-CG 3.9Å; W269-R332 HydrophobicContact CZ2-CB 4.4Å; W269-R332 VanDerWaalsContact CZ2-CD 3.5Å; W269-R332 HydrophobicContact CZ2-CG 4.15Å; W269-R332 HydrophobicContact CZ3-CG 4.12Å; W269-E370 HydrophobicContact CE3-CG 3.9Å; W269-E370 HydrophobicContact CZ3-CG 4.26Å; W269-L372 HydrophobicContact CH2-CD2 4.01Å; W269-L372 HydrophobicContact CZ3-CD2 4.09Å
270A83.1Confident71.8Confident0 Ų082.4 Ų82.40%045%0.447CS..Hα-helixtrans-67.1-40.8178.700000110.7N267 R268 S272 L273 M297 F303N267-A270 HydrophobicContact CB-CB 4.49Å; N267-A270 WeakPolarHBondContact O-CB 3.49Å; N267-A270 PolarHBondContact O-N 3.04Å; R268-A270 VanDerWaalsContact C-N 3.35Å; A270-S272 PolarHBondContact O-N 2.92Å; A270-L273 VanDerWaalsContact O-CB 3.32Å; A270-L273 WeakPolarHBondContact O-CB 3.08Å; A270-L273 PolarHBondContact O-N 3.16Å; A270-M297 HydrophobicContact CB-CE 3.99Å; A270-M297 HydrophobicContact CB-SD 4.05Å; A270-M297 VanDerWaalsContact O-CE 3.25Å; A270-M297 WeakPolarHBondContact O-CE 3.33Å; A270-F303 HydrophobicContact CB-CB 4.04Å; A270-F303 HydrophobicContact CB-CD2 3.64Å; A270-F303 HydrophobicContact CB-CG 4.19Å
271K81.3Confident73.6Confident80 Ų8079 Ų7935%0.34843%0.434SS..Hα-helixtrans-59.6-32.9173.3-71.2172.2176.7155.70112.3E265 N267 R268 L273 K274E265-K271 IonicContact OE2-NZ 3.54Å; E265-K271 PolarHBondContact OE2-NZ 3.39Å; N267-K271 PolarHBondContact O-N 3.45Å; N267-K271 WeakPolarHBondContact OD1-CE 3.47Å; N267-K271 PolarHBondContact OD1-NZ 3.11Å; R268-K271 PolarHBondContact O-N 2.86Å; K271-L273 PolarHBondContact O-N 3.16Å; K271-K274 WeakPolarHBondContact O-CB 3.18Å; K271-K274 PolarHBondContact O-N 3.05Å; K271-K274 VanDerWaalsContact O-N 3.16Å
272S81.6Confident75.3Confident83 Ų8374.3 Ų74.358%0.5841%0.411SS*.Hα-helixtrans-67.6-17.4175.483.50000114R268 W269 A270R268-S272 PolarHBondContact O-N 2.96Å; W269-S272 WeakPolarHBondContact O-CB 3.31Å; W269-S272 PolarHBondContact O-N 2.84Å; W269-S272 VanDerWaalsContact O-N 3.15Å; W269-S272 PolarHBondContact O-OG 2.77Å; A270-S272 PolarHBondContact O-N 2.92Å
273L81.9Confident76.7Confident5 Ų569.3 Ų69.33%0.02638%0.383CS..THydrogen-bonded Turntrans-83.5-14.8175-55.2179.4000112.8W269 A270 K271 G275 Q276 L293 A367 E370W269-L273 HydrophobicContact CE3-CD1 4.27Å; W269-L273 HydrophobicContact CZ3-CD1 3.98Å; A270-L273 VanDerWaalsContact O-CB 3.32Å; A270-L273 WeakPolarHBondContact O-CB 3.08Å; A270-L273 PolarHBondContact O-N 3.16Å; K271-L273 PolarHBondContact O-N 3.16Å; L273-G275 PolarHBondContact O-N 3.01Å; L273-Q276 WeakPolarHBondContact O-CB 3.36Å; L273-Q276 PolarHBondContact O-N 2.74Å; L273-L293 HydrophobicContact CB-CD2 4.04Å; L273-L293 HydrophobicContact CD1-CD1 4.45Å; L273-L293 HydrophobicContact CD1-CD2 4.43Å; L273-A367 HydrophobicContact CD1-CB 4.29Å; L273-A367 HydrophobicContact CD2-CB 3.84Å; L273-E370 HydrophobicContact CD1-CB 4.39Å; L273-E370 HydrophobicContact CD1-CG 4.26Å; L273-E370 HydrophobicContact CD2-CB 4.49Å; L273-E370 HydrophobicContact CD2-CG 4.08Å
274K75.8Confident77.3Confident117 Ų11769.5 Ų69.551%0.50938%0.382SS..THydrogen-bonded Turntrans-62125.5178.5-76.3-178.9165.3174.20110.5K271 M297 E302K271-K274 WeakPolarHBondContact O-CB 3.18Å; K271-K274 PolarHBondContact O-N 3.05Å; K271-K274 VanDerWaalsContact O-N 3.16Å; K274-M297 HydrophobicContact CG-CE 4.11Å; K274-E302 VanDerWaalsContact CE-CD 3.44Å; K274-E302 VanDerWaalsContact CE-OE1 3.32Å; K274-E302 WeakPolarHBondContact CE-OE1 3.41Å; K274-E302 VanDerWaalsContact CE-OE2 3.29Å; K274-E302 WeakPolarHBondContact CE-OE2 3.49Å; K274-E302 IonicContact NZ-OE1 2.59Å; K274-E302 PolarHBondContact NZ-OE1 2.9Å; K274-E302 IonicContact NZ-OE2 2.72Å; K274-E302 PolarHBondContact NZ-OE2 3.07Å
275G70Confident77.2Confident72 Ų7268.8 Ų68.874%0.74237%0.367SS*.THydrogen-bonded Turntrans93.3-4.7178.700000114.9L273 K277L273-G275 PolarHBondContact O-N 3.01Å; G275-K277 PolarHBondContact O-N 3.02Å; G275-K277 VanDerWaalsContact O-N 3.17Å
276Q70.1Confident76.6Confident67 Ų6774.8 Ų74.831%0.31339%0.391SS..  trans-67.3115174.1-161.3176.6-13.700110.2L273 V279 N368L273-Q276 WeakPolarHBondContact O-CB 3.36Å; L273-Q276 PolarHBondContact O-N 2.74Å; Q276-V279 HydrophobicContact CB-CG2 3.93Å; Q276-V279 VanDerWaalsContact CD-CG2 3.48Å; Q276-V279 HydrophobicContact CG-CG2 3.62Å; Q276-N368 PolarHBondContact NE2-OD1 2.74Å; Q276-N368 PolarHBondContact OE1-ND2 3.18Å; Q276-N368 VanDerWaalsContact OE1-ND2 3.14Å
277K70.4Confident75.6Confident203 Ų20378.5 Ų78.588%0.88341%0.411SS*.  trans-88.1141.9178.7-65.9-175.6-179.2179.50110.4G275G275-K277 PolarHBondContact O-N 3.02Å; G275-K277 VanDerWaalsContact O-N 3.17Å
278G70Confident74.3Confident74 Ų7481 Ų8176%0.76343%0.427SS*.SBendtrans81.89171.900000115.9K280G278-K280 PolarHBondContact O-N 3.04Å; G278-K280 VanDerWaalsContact O-N 3.17Å
279V78Confident73.1Confident26 Ų2680.3 Ų80.316%0.15844%0.439CS..PPolyproline II helixtrans-60.1119170.7178.10000109Q276 L293 C365 V366 A367Q276-V279 HydrophobicContact CB-CG2 3.93Å; Q276-V279 VanDerWaalsContact CD-CG2 3.48Å; Q276-V279 HydrophobicContact CG-CG2 3.62Å; V279-L293 HydrophobicContact CB-CB 4.43Å; V279-L293 HydrophobicContact CB-CD2 4.27Å; V279-L293 HydrophobicContact CG1-CB 4.23Å; V279-L293 HydrophobicContact CG1-CD2 4.13Å; V279-L293 HydrophobicContact CG2-CD2 4.08Å; V279-C365 WeakPolarHBondContact CG1-SG 3.34Å; V279-V366 WeakPolarHBondContact CG1-O 3.32Å; V279-A367 HydrophobicContact CG1-CB 3.95Å; V279-A367 HydrophobicContact CG2-CB 4.13Å
280K75.5Confident72.4Confident146 Ų14688.5 Ų88.564%0.63548%0.475SS*.PPolyproline II helixtrans-88.2125.1177.4-68.7-177.3-178.4176.10109.4G278 F282G278-K280 PolarHBondContact O-N 3.04Å; G278-K280 VanDerWaalsContact O-N 3.17Å; K280-F282 HydrophobicContact CB-CD2 4.3Å; K280-F282 HydrophobicContact CB-CE2 3.71Å; K280-F282 HydrophobicContact CB-CZ 4Å; K280-F282 HydrophobicContact CD-CZ 4.07Å
281V83.8Confident72.3Confident25 Ų2589.5 Ų89.515%0.15248%0.48CS..EExtended strand (participates in β ladder)trans-96.2122.7165.5-177.20000106.8M283 M291 C365 M374V281-M283 HydrophobicContact CG1-SD 4.11Å; V281-M291 VanDerWaalsContact CB-O 3.29Å; V281-M291 WeakPolarHBondContact CB-O 3.36Å; V281-M291 HydrophobicContact CG1-CB 4.45Å; V281-M291 HydrophobicContact CG1-CE 4.21Å; V281-C365 HydrophobicContact CG2-CB 4.15Å; V281-M374 HydrophobicContact CG1-CE 3.41Å; V281-M374 VanDerWaalsContact CG1-CE 3.41Å; V281-M374 HydrophobicContact CG1-SD 4.11Å
282F85Confident72.5Confident71 Ų7191.9 Ų91.931%0.31149%0.491SS..EExtended strand (participates in β ladder)trans-98.4131.9-179.8-69.1-89.3000109.5K280 G363 Y364K280-F282 HydrophobicContact CB-CD2 4.3Å; K280-F282 HydrophobicContact CB-CE2 3.71Å; K280-F282 HydrophobicContact CB-CZ 4Å; K280-F282 HydrophobicContact CD-CZ 4.07Å; F282-G363 CarbonylContact O-C 3.58Å; F282-G363 WeakPolarHBondContact O-CA 3.46Å; F282-Y364 HydrophobicContact CB-CD1 3.95Å; F282-Y364 HydrophobicContact CB-CE1 3.5Å; F282-Y364 HydrophobicContact CB-CE2 4.18Å; F282-Y364 HydrophobicContact CB-CG 4.45Å; F282-Y364 HydrophobicContact CD2-CD2 4.29Å; F282-Y364 HydrophobicContact CD2-CE1 4.3Å; F282-Y364 AromaticContact CD2-CE2 3.51Å; F282-Y364 HydrophobicContact CD2-CE2 3.51Å; F282-Y364 AromaticContact CD2-CZ 3.51Å; F282-Y364 WeakPolarHBondContact CD2-OH 3.01Å; F282-Y364 HydrophobicContact CE2-CE2 4.18Å; F282-Y364 HydrophobicContact CG-CE1 4.02Å; F282-Y364 HydrophobicContact CG-CE2 4.08Å; F282-Y364 AromaticContact CG-CZ 3.61Å; F282-Y364 WeakPolarHBondContact CG-OH 3.39Å; F282-Y364 PolarHBondContact N-O 3.42Å; F282-Y364 PolarHBondContact O-N 2.73Å
283M83.9Confident72.9Confident46 Ų4688.6 Ų88.623%0.22747%0.466CS..EExtended strand (participates in β ladder)trans-120.4135.3179.1-60.2-56-7000110V281 V288 M291 L362 M374V281-M283 HydrophobicContact CG1-SD 4.11Å; M283-V288 HydrophobicContact CE-CB 3.88Å; M283-V288 HydrophobicContact CE-CG1 3.75Å; M283-V288 HydrophobicContact CE-CG2 4.14Å; M283-M291 HydrophobicContact CE-CE 3.72Å; M283-M291 HydrophobicContact SD-CE 3.49Å; M283-M291 WeakPolarHBondContact SD-CE 2.82Å; M283-L362 WeakPolarHBondContact CA-O 3.02Å; M283-L362 HydrophobicContact CE-CB 3.94Å; M283-L362 WeakPolarHBondContact CE-O 3.15Å; M283-M374 HydrophobicContact CE-CE 4.49Å; M283-M374 HydrophobicContact SD-CE 3.47Å; M283-M374 WeakPolarHBondContact SD-CE 3.46Å
284F80.2Confident73.2Confident55 Ų5591.6 Ų91.624%0.24149%0.488CS..SBendtrans-82.8-23.1178.8-65.2-68.9000113M347 L361 L362 Y364F284-M347 HydrophobicContact CZ-CB 4.45Å; F284-M347 WeakPolarHBondContact CZ-O 3.32Å; F284-L361 HydrophobicContact CD2-CD2 4.22Å; F284-L361 HydrophobicContact CD2-CG 4.1Å; F284-L361 HydrophobicContact CE2-CD2 3.51Å; F284-L361 HydrophobicContact CE2-CG 3.79Å; F284-L361 HydrophobicContact CZ-CD2 4.27Å; F284-L362 PolarHBondContact N-O 3.25Å; F284-Y364 HydrophobicContact CE2-CD1 4.01Å; F284-Y364 AromaticContact CZ-CD1 3.8Å; F284-Y364 HydrophobicContact CZ-CD1 3.8Å; F284-Y364 AromaticContact CZ-CE1 3.89Å; F284-Y364 HydrophobicContact CZ-CE1 3.89Å
285K66.9Low73.9Confident103 Ų10388.5 Ų88.545%0.44848%0.477SS..SBendtrans-93.2122.1171.3-75.8-177178.4176.10109.6S287 V288K285-S287 PolarHBondContact O-N 2.9Å; K285-S287 VanDerWaalsContact O-N 3.16Å; K285-V288 HydrophobicContact CB-CG2 3.98Å; K285-V288 PolarHBondContact O-N 3.3Å
286K57.3Low74.9Confident219 Ų21985 Ų8595%0.95244%0.441SS*.THydrogen-bonded Turntrans-58.3-25.5174.2-70-173.9179.6179.50113
287S50.9Low75.9Confident118 Ų11882.6 Ų82.683%0.82543%0.43SS*.THydrogen-bonded Turntrans-83.9-6.1-173.8-44.20000114.8K285 S289K285-S287 PolarHBondContact O-N 2.9Å; K285-S287 VanDerWaalsContact O-N 3.16Å; S287-S289 PolarHBondContact O-N 3.24Å
288V53.5Low77Confident53 Ų5379.3 Ų79.332%0.32142%0.416SS..SBendtrans-88.4111174.4-168.30000107.6M283 K285M283-V288 HydrophobicContact CE-CB 3.88Å; M283-V288 HydrophobicContact CE-CG1 3.75Å; M283-V288 HydrophobicContact CE-CG2 4.14Å; K285-V288 HydrophobicContact CB-CG2 3.98Å; K285-V288 PolarHBondContact O-N 3.3Å
289S53.5Low78.1Confident100 Ų10076.1 Ų76.170%0.69938%0.383SS*.  trans-42.4146174.141.10000111.8S287 M291S287-S289 PolarHBondContact O-N 3.24Å; S289-M291 PolarHBondContact O-N 3.45Å
290K67.9Low78.8Confident196 Ų19674.9 Ų74.985%0.85238%0.375SS*.  trans-41.978.6179.6-67.3175.3177.6173.20113.3
291M80.4Confident79.6Confident20 Ų2073.1 Ų73.110%0.09937%0.369CS..  trans-70.2139.7176.4-171.8163.35400108V281 M283 S289 D295 L296 L322 M374V281-M291 VanDerWaalsContact CB-O 3.29Å; V281-M291 WeakPolarHBondContact CB-O 3.36Å; V281-M291 HydrophobicContact CG1-CB 4.45Å; V281-M291 HydrophobicContact CG1-CE 4.21Å; M283-M291 HydrophobicContact CE-CE 3.72Å; M283-M291 HydrophobicContact SD-CE 3.49Å; M283-M291 WeakPolarHBondContact SD-CE 2.82Å; S289-M291 PolarHBondContact O-N 3.45Å; M291-D295 HydrophobicContact CG-CB 4.11Å; M291-L296 HydrophobicContact CE-CD2 3.97Å; M291-L296 HydrophobicContact CG-CD2 4.23Å; M291-L296 HydrophobicContact SD-CD2 3.58Å; M291-L296 VanDerWaalsContact SD-CD2 3.58Å; M291-L296 HydrophobicContact SD-CG 4.5Å; M291-L322 HydrophobicContact SD-CD2 4.02Å; M291-M374 HydrophobicContact CE-CE 3.55Å; M291-M374 HydrophobicContact CE-SD 3.2Å; M291-M374 WeakPolarHBondContact CE-SD 3.31Å; M291-M374 HydrophobicContact SD-SD 4.39Å
292K86.9Confident80Confident130 Ų13074.6 Ų74.657%0.56537%0.374SS*.  trans-116.9161.2-179.9-64.6176.5-173.6170.20109.7S294 D295 L296K292-S294 WeakPolarHBondContact CB-OG 3.37Å; K292-S294 PolarHBondContact O-N 2.72Å; K292-D295 PolarHBondContact N-OD2 2.98Å; K292-D295 WeakPolarHBondContact O-CB 3.5Å; K292-D295 PolarHBondContact O-N 3.2Å; K292-L296 PolarHBondContact O-N 3.01Å
293L88.5Confident80.3Confident14 Ų1471.3 Ų71.37%0.07336%0.36CS..Hα-helixtrans-55.3-34.1171.9-179.862.5000111.9L273 V279 D295 L296 M297 A367 L372L273-L293 HydrophobicContact CB-CD2 4.04Å; L273-L293 HydrophobicContact CD1-CD1 4.45Å; L273-L293 HydrophobicContact CD1-CD2 4.43Å; V279-L293 HydrophobicContact CB-CB 4.43Å; V279-L293 HydrophobicContact CB-CD2 4.27Å; V279-L293 HydrophobicContact CG1-CB 4.23Å; V279-L293 HydrophobicContact CG1-CD2 4.13Å; V279-L293 HydrophobicContact CG2-CD2 4.08Å; L293-D295 PolarHBondContact O-N 3.41Å; L293-L296 HydrophobicContact CD1-CD1 4.49Å; L293-L296 PolarHBondContact O-N 3.29Å; L293-M297 HydrophobicContact CD1-CG 4.4Å; L293-M297 HydrophobicContact CG-CG 4.28Å; L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 WeakPolarHBondContact O-CG 3.15Å; L293-M297 PolarHBondContact O-N 2.79Å; L293-A367 HydrophobicContact CD2-CB 4.15Å; L293-L372 HydrophobicContact CD1-CD1 4.1Å
294S88.9Confident80.6Confident68 Ų6871.2 Ų71.248%0.47636%0.358SS..Hα-helixtrans-57-36.9174510000113.1K292 M297 K298K292-S294 WeakPolarHBondContact CB-OG 3.37Å; K292-S294 PolarHBondContact O-N 2.72Å; S294-M297 PolarHBondContact O-N 2.9Å; S294-K298 WeakPolarHBondContact O-CB 3.48Å; S294-K298 PolarHBondContact O-N 2.76Å
295D90Very high81Confident52 Ų5275.4 Ų75.428%0.27838%0.376SS..Hα-helixtrans-75.7-38.3-175.2-46.5-20.5000109M291 K292 L293 K298 A299M291-D295 HydrophobicContact CG-CB 4.11Å; K292-D295 PolarHBondContact N-OD2 2.98Å; K292-D295 WeakPolarHBondContact O-CB 3.5Å; K292-D295 PolarHBondContact O-N 3.2Å; L293-D295 PolarHBondContact O-N 3.41Å; D295-K298 PolarHBondContact O-N 2.75Å; D295-A299 WeakPolarHBondContact O-CB 3.36Å; D295-A299 PolarHBondContact O-N 3.22Å
296L91.1Very high82.1Confident0 Ų077 Ų770%039%0.39CS..Hα-helixtrans-63.4-45.5171.6-56.8179.4000111.8M291 K292 L293 K298 A299 T300 L328 I330 C365 M374M291-L296 HydrophobicContact CE-CD2 3.97Å; M291-L296 HydrophobicContact CG-CD2 4.23Å; M291-L296 HydrophobicContact SD-CD2 3.58Å; M291-L296 VanDerWaalsContact SD-CD2 3.58Å; M291-L296 HydrophobicContact SD-CG 4.5Å; K292-L296 PolarHBondContact O-N 3.01Å; L293-L296 HydrophobicContact CD1-CD1 4.49Å; L293-L296 PolarHBondContact O-N 3.29Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 3.18Å; L296-A299 PolarHBondContact O-N 3.28Å; L296-T300 PolarHBondContact O-N 3.39Å; L296-T300 VanDerWaalsContact O-N 3.08Å; L296-T300 PolarHBondContact O-OG1 3.24Å; L296-L328 HydrophobicContact CD2-CD1 4.15Å; L296-I330 HydrophobicContact CB-CD1 4.35Å; L296-I330 HydrophobicContact CD2-CD1 3.91Å; L296-I330 HydrophobicContact CD2-CG1 4.5Å; L296-C365 HydrophobicContact CD1-CB 4.31Å; L296-M374 HydrophobicContact CD1-SD 3.58Å; L296-M374 VanDerWaalsContact CD1-SD 3.58Å; L296-M374 HydrophobicContact CD2-CG 4.34Å; L296-M374 HydrophobicContact CD2-SD 3.41Å; L296-M374 WeakPolarHBondContact CD2-SD 3.44Å; L296-M374 HydrophobicContact CG-SD 4.1Å
297M91.8Very high83.8Confident16 Ų1667.8 Ų67.88%0.07935%0.351CS..Hα-helixtrans-60.1-41.1176.5-70.4-69.5-65.100111.3A270 K274 L293 S294 E301 E302 F303A270-M297 HydrophobicContact CB-CE 3.99Å; A270-M297 HydrophobicContact CB-SD 4.05Å; A270-M297 VanDerWaalsContact O-CE 3.25Å; A270-M297 WeakPolarHBondContact O-CE 3.33Å; K274-M297 HydrophobicContact CG-CE 4.11Å; L293-M297 HydrophobicContact CD1-CG 4.4Å; L293-M297 HydrophobicContact CG-CG 4.28Å; L293-M297 WeakPolarHBondContact O-CB 3.33Å; L293-M297 WeakPolarHBondContact O-CG 3.15Å; L293-M297 PolarHBondContact O-N 2.79Å; S294-M297 PolarHBondContact O-N 2.9Å; M297-E301 PolarHBondContact O-N 3.2Å; M297-E302 HydrophobicContact CE-CB 4.13Å; M297-E302 HydrophobicContact CE-CG 4.23Å; M297-E302 WeakPolarHBondContact O-CA 3.38Å; M297-E302 PolarHBondContact O-N 2.86Å; M297-F303 HydrophobicContact CG-CE2 4.48Å; M297-F303 HydrophobicContact SD-CD2 3.75Å; M297-F303 HydrophobicContact SD-CE2 3.57Å; M297-F303 VanDerWaalsContact SD-CE2 3.57Å
298K92.6Very high85.7Confident133 Ų13364.9 Ų64.958%0.57833%0.325SS*.Hα-helixtrans-68.4-44.1175.8-173.8176177.2179.20111.3S294 D295 L296 T300 E301 E323S294-K298 WeakPolarHBondContact O-CB 3.48Å; S294-K298 PolarHBondContact O-N 2.76Å; D295-K298 PolarHBondContact O-N 2.75Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 3.18Å; K298-T300 VanDerWaalsContact C-N 3.29Å; K298-T300 PolarHBondContact O-N 3.18Å; K298-E301 PolarHBondContact O-N 3.35Å; K298-E323 HydrophobicContact CD-CG 4.36Å; K298-E323 WeakPolarHBondContact CD-OE1 3.33Å; K298-E323 WeakPolarHBondContact CE-OE1 3.35Å; K298-E323 IonicContact NZ-OE1 2.64Å; K298-E323 PolarHBondContact NZ-OE1 2.75Å
299A93.4Very high87.5Confident8 Ų864.7 Ų64.77%0.06632%0.322CS..Hα-helixtrans-63.8-32.5-175.800000113.7D295 L296 G320 R321 L322 L328D295-A299 WeakPolarHBondContact O-CB 3.36Å; D295-A299 PolarHBondContact O-N 3.22Å; L296-A299 PolarHBondContact O-N 3.28Å; A299-G320 CarbonylContact O-C 3.48Å; A299-G320 VanDerWaalsContact O-CA 3.28Å; A299-G320 WeakPolarHBondContact O-CA 3.18Å; A299-R321 WeakPolarHBondContact CA-O 3.3Å; A299-R321 VanDerWaalsContact CB-O 3.28Å; A299-R321 WeakPolarHBondContact CB-O 3.37Å; A299-R321 PolarHBondContact O-N 2.93Å; A299-L322 HydrophobicContact CB-CD2 4.12Å; A299-L328 HydrophobicContact CB-CD2 4.5Å
300T93.8Very high89Confident0 Ų061.4 Ų61.40%030%0.301CS..THydrogen-bonded Turntrans-98.18.717960.70000113.5L296 K298 E302 F303 K304 N307 I330L296-T300 PolarHBondContact O-N 3.39Å; L296-T300 VanDerWaalsContact O-N 3.08Å; L296-T300 PolarHBondContact O-OG1 3.24Å; K298-T300 VanDerWaalsContact C-N 3.29Å; K298-T300 PolarHBondContact O-N 3.18Å; T300-E302 VanDerWaalsContact C-N 3.28Å; T300-E302 PolarHBondContact O-N 2.78Å; T300-F303 HydrophobicContact CG2-CD1 4.05Å; T300-F303 HydrophobicContact CG2-CE1 3.9Å; T300-F303 HydrophobicContact CG2-CZ 4.27Å; T300-F303 PolarHBondContact O-N 3.08Å; T300-F303 WeakPolarHBondContact OG1-CD2 3.28Å; T300-F303 WeakPolarHBondContact OG1-CG 3.39Å; T300-F303 PolarHBondContact OG1-N 3.45Å; T300-K304 PolarHBondContact O-N 3.29Å; T300-N307 PolarHBondContact O-ND2 2.92Å; T300-I330 HydrophobicContact CG2-CD1 3.35Å; T300-I330 HydrophobicContact CG2-CG1 4.5Å
301E92.4Very high89.7Confident108 Ų10856.6 Ų56.651%0.50529%0.288SS..THydrogen-bonded Turntrans48.552.8-171.9-63.2172.8-110.800111.3M297 K298 F303 K304M297-E301 PolarHBondContact O-N 3.2Å; K298-E301 PolarHBondContact O-N 3.35Å; E301-F303 VanDerWaalsContact C-N 3.31Å; E301-F303 PolarHBondContact O-N 2.99Å; E301-K304 HydrophobicContact CB-CD 3.79Å; E301-K304 HydrophobicContact CB-CG 4.02Å; E301-K304 HydrophobicContact CG-CD 4.5Å; E301-K304 PolarHBondContact O-N 3.09Å; E301-K304 WeakPolarHBondContact OE1-CE 3.5Å; E301-K304 IonicContact OE1-NZ 3.87Å; E301-K304 PolarHBondContact OE1-NZ 2.9Å; E301-K304 VanDerWaalsContact OE2-CE 3.28Å; E301-K304 WeakPolarHBondContact OE2-CE 3.45Å; E301-K304 IonicContact OE2-NZ 2.79Å; E301-K304 PolarHBondContact OE2-NZ 2.8Å
302E91.2Very high89.2Confident57 Ų5757.3 Ų57.327%0.26630%0.3SS..THydrogen-bonded Turntrans6136.4-176.6-50.2-177.2-169.300113.4N267 K274 M297 T300 K304N267-E302 WeakPolarHBondContact CB-O 3.46Å; N267-E302 PolarHBondContact ND2-O 3.19Å; N267-E302 VanDerWaalsContact ND2-O 3.13Å; K274-E302 VanDerWaalsContact CE-CD 3.44Å; K274-E302 VanDerWaalsContact CE-OE1 3.32Å; K274-E302 WeakPolarHBondContact CE-OE1 3.41Å; K274-E302 VanDerWaalsContact CE-OE2 3.29Å; K274-E302 WeakPolarHBondContact CE-OE2 3.49Å; K274-E302 IonicContact NZ-OE1 2.59Å; K274-E302 PolarHBondContact NZ-OE1 2.9Å; K274-E302 IonicContact NZ-OE2 2.72Å; K274-E302 PolarHBondContact NZ-OE2 3.07Å; M297-E302 HydrophobicContact CE-CB 4.13Å; M297-E302 HydrophobicContact CE-CG 4.23Å; M297-E302 WeakPolarHBondContact O-CA 3.38Å; M297-E302 PolarHBondContact O-N 2.86Å; T300-E302 VanDerWaalsContact C-N 3.28Å; T300-E302 PolarHBondContact O-N 2.78Å; E302-K304 VanDerWaalsContact C-N 3.26Å; E302-K304 PolarHBondContact O-N 3.09Å
303F91.9Very high88.3Confident1 Ų153.2 Ų53.20%0.00428%0.282CS..THydrogen-bonded Turntrans54.941.7-178.2-60.7-92.6000112.6W269 A270 M297 T300 E301 Y318 I330 L372W269-F303 HydrophobicContact CH2-CB 4.13Å; W269-F303 AromaticContact CH2-CD1 3.68Å; W269-F303 HydrophobicContact CH2-CD1 3.68Å; W269-F303 AromaticContact CH2-CD2 3.77Å; W269-F303 HydrophobicContact CH2-CD2 3.77Å; W269-F303 AromaticContact CH2-CE1 3.97Å; W269-F303 HydrophobicContact CH2-CE1 3.97Å; W269-F303 HydrophobicContact CH2-CE2 4.05Å; W269-F303 AromaticContact CH2-CG 3.58Å; W269-F303 HydrophobicContact CH2-CG 3.58Å; W269-F303 HydrophobicContact CH2-CZ 4.15Å; W269-F303 HydrophobicContact CZ2-CB 3.54Å; W269-F303 AromaticContact CZ2-CD1 3.77Å; W269-F303 HydrophobicContact CZ2-CD1 3.77Å; W269-F303 HydrophobicContact CZ2-CD2 4.08Å; W269-F303 HydrophobicContact CZ2-CE1 4.49Å; W269-F303 AromaticContact CZ2-CG 3.52Å; W269-F303 HydrophobicContact CZ2-CG 3.52Å; A270-F303 HydrophobicContact CB-CB 4.04Å; A270-F303 HydrophobicContact CB-CD2 3.64Å; A270-F303 HydrophobicContact CB-CG 4.19Å; M297-F303 HydrophobicContact CG-CE2 4.48Å; M297-F303 HydrophobicContact SD-CD2 3.75Å; M297-F303 HydrophobicContact SD-CE2 3.57Å; M297-F303 VanDerWaalsContact SD-CE2 3.57Å; T300-F303 HydrophobicContact CG2-CD1 4.05Å; T300-F303 HydrophobicContact CG2-CE1 3.9Å; T300-F303 HydrophobicContact CG2-CZ 4.27Å; T300-F303 PolarHBondContact O-N 3.08Å; T300-F303 WeakPolarHBondContact OG1-CD2 3.28Å; T300-F303 WeakPolarHBondContact OG1-CG 3.39Å; T300-F303 PolarHBondContact OG1-N 3.45Å; E301-F303 VanDerWaalsContact C-N 3.31Å; E301-F303 PolarHBondContact O-N 2.99Å; F303-Y318 HydrophobicContact CB-CD1 4.16Å; F303-Y318 HydrophobicContact CB-CE1 3.91Å; F303-Y318 HydrophobicContact CD1-CD1 4.09Å; F303-Y318 AromaticContact CD1-CD2 3.78Å; F303-Y318 HydrophobicContact CD1-CD2 3.78Å; F303-Y318 HydrophobicContact CD1-CE1 4.36Å; F303-Y318 HydrophobicContact CD1-CE2 4.08Å; F303-Y318 AromaticContact CD1-CG 3.79Å; F303-Y318 HydrophobicContact CD1-CG 3.79Å; F303-Y318 HydrophobicContact CE1-CD2 4.37Å; F303-Y318 WeakPolarHBondContact O-CE1 3.47Å; F303-I330 HydrophobicContact CE1-CB 4.26Å; F303-I330 HydrophobicContact CE1-CG2 3.71Å; F303-I330 HydrophobicContact CZ-CG2 4.15Å; F303-L372 HydrophobicContact CE2-CD1 4.5Å; F303-L372 HydrophobicContact CZ-CD1 3.84Å
304K89.5Confident87.6Confident44 Ų4452.9 Ų52.919%0.19128%0.28CS..  trans-58149.7175.268.2174.4-176.8179.30111.4T300 E301 E302 D306 N307T300-K304 PolarHBondContact O-N 3.29Å; E301-K304 HydrophobicContact CB-CD 3.79Å; E301-K304 HydrophobicContact CB-CG 4.02Å; E301-K304 HydrophobicContact CG-CD 4.5Å; E301-K304 PolarHBondContact O-N 3.09Å; E301-K304 WeakPolarHBondContact OE1-CE 3.5Å; E301-K304 IonicContact OE1-NZ 3.87Å; E301-K304 PolarHBondContact OE1-NZ 2.9Å; E301-K304 VanDerWaalsContact OE2-CE 3.28Å; E301-K304 WeakPolarHBondContact OE2-CE 3.45Å; E301-K304 IonicContact OE2-NZ 2.79Å; E301-K304 PolarHBondContact OE2-NZ 2.8Å; E302-K304 VanDerWaalsContact C-N 3.26Å; E302-K304 PolarHBondContact O-N 3.09Å; K304-D306 HydrophobicContact CD-CB 4.2Å; K304-D306 HydrophobicContact CG-CB 4.4Å; K304-D306 PolarHBondContact O-N 3.49Å; K304-N307 VanDerWaalsContact CE-CG 3.45Å; K304-N307 WeakPolarHBondContact CE-ND2 3.49Å; K304-N307 WeakPolarHBondContact CE-OD1 3.34Å; K304-N307 HydrophobicContact CG-CB 4.1Å; K304-N307 WeakPolarHBondContact CG-ND2 3.44Å; K304-N307 PolarHBondContact O-N 3.43Å
305K88.1Confident87.3Confident143 Ų14349.9 Ų49.962%0.62226%0.26SS*.G310 helixtrans-54.6-36.6179.5-168.4-179.2177.5-175.50113.7E265 N307 I308E265-K305 PolarHBondContact O-N 3.27Å; K305-N307 PolarHBondContact O-N 3.23Å; K305-I308 HydrophobicContact CB-CD1 4.48Å; K305-I308 HydrophobicContact CG-CD1 3.98Å; K305-I308 VanDerWaalsContact O-CB 3.3Å; K305-I308 WeakPolarHBondContact O-CB 3.27Å; K305-I308 VanDerWaalsContact O-CG1 3.27Å; K305-I308 WeakPolarHBondContact O-CG1 3.2Å; K305-I308 PolarHBondContact O-N 3.4Å
306D89.6Confident87.2Confident136 Ų13648.5 Ų48.573%0.72725%0.253SS*.G310 helixtrans-66.3-18.5-179.4-57.1-20.7000113.6K304 I308K304-D306 HydrophobicContact CD-CB 4.2Å; K304-D306 HydrophobicContact CG-CB 4.4Å; K304-D306 PolarHBondContact O-N 3.49Å; D306-I308 VanDerWaalsContact C-N 3.33Å
307N93.3Very high87.3Confident26 Ų2648.7 Ų48.714%0.13925%0.254CS..G310 helixtrans-89.31.1176.3-76.6-22.5000112.4T300 K304 K305 I309 Y318 K319T300-N307 PolarHBondContact O-ND2 2.92Å; K304-N307 VanDerWaalsContact CE-CG 3.45Å; K304-N307 WeakPolarHBondContact CE-ND2 3.49Å; K304-N307 WeakPolarHBondContact CE-OD1 3.34Å; K304-N307 HydrophobicContact CG-CB 4.1Å; K304-N307 WeakPolarHBondContact CG-ND2 3.44Å; K304-N307 PolarHBondContact O-N 3.43Å; K305-N307 PolarHBondContact O-N 3.23Å; N307-I309 PolarHBondContact O-N 3.34Å; N307-Y318 CarbonylContact O-C 3.55Å; N307-Y318 VanDerWaalsContact O-CA 3.22Å; N307-Y318 WeakPolarHBondContact O-CA 3.49Å; N307-K319 PolarHBondContact O-N 3.3Å
308I92.4Very high87.5Confident57 Ų5748.4 Ų48.429%0.29225%0.252SS..EExtended strand (participates in β ladder)trans-69.4122.1175.7-64.9173.5000109.2K305 D306 T316 M317 Y318K305-I308 HydrophobicContact CB-CD1 4.48Å; K305-I308 HydrophobicContact CG-CD1 3.98Å; K305-I308 VanDerWaalsContact O-CB 3.3Å; K305-I308 WeakPolarHBondContact O-CB 3.27Å; K305-I308 VanDerWaalsContact O-CG1 3.27Å; K305-I308 WeakPolarHBondContact O-CG1 3.2Å; K305-I308 PolarHBondContact O-N 3.4Å; D306-I308 VanDerWaalsContact C-N 3.33Å; I308-T316 HydrophobicContact CB-CG2 4.38Å; I308-T316 HydrophobicContact CD1-CG2 3.95Å; I308-T316 HydrophobicContact CG1-CG2 3.79Å; I308-T316 HydrophobicContact CG2-CG2 3.78Å; I308-M317 WeakPolarHBondContact CA-O 3.01Å; I308-Y318 HydrophobicContact CD1-CE1 4.14Å; I308-Y318 HydrophobicContact CG1-CD1 3.81Å; I308-Y318 HydrophobicContact CG1-CE1 3.43Å; I308-Y318 VanDerWaalsContact CG1-CE1 3.43Å
309I90.5Very high87.7Confident50 Ų5045.4 Ų45.426%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-85.6-47172.2-55.8174.8000109.4N307 M317 K319 M329 Y377 Y382N307-I309 PolarHBondContact O-N 3.34Å; I309-M317 HydrophobicContact CB-CG 4.37Å; I309-M317 HydrophobicContact CD1-CG 4.29Å; I309-M317 PolarHBondContact N-O 3.09Å; I309-K319 HydrophobicContact CD1-CB 3.81Å; I309-K319 HydrophobicContact CG1-CB 3.83Å; I309-M329 HydrophobicContact CD1-CB 4.41Å; I309-M329 HydrophobicContact CD1-CG 3.55Å; I309-M329 HydrophobicContact CD1-SD 3.72Å; I309-Y377 HydrophobicContact CD1-CE2 4.24Å; I309-Y382 HydrophobicContact CG2-CD2 4.38Å; I309-Y382 HydrophobicContact CG2-CE2 3.87Å
310A85.7Confident87.8Confident30 Ų3045 Ų4525%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-154151.9179.200000110.6M317 Y382A310-M317 PolarHBondContact N-O 2.8Å; A310-M317 PolarHBondContact O-N 2.77Å; A310-Y382 HydrophobicContact CB-CD2 4.19Å; A310-Y382 HydrophobicContact CB-CE2 3.42Å; A310-Y382 VanDerWaalsContact CB-CE2 3.42Å
311T81.3Confident87.9Confident95 Ų9552 Ų5258%0.58326%0.263SS*.EExtended strand (participates in β ladder)trans-119133.2166.8-61.50000108T316T311-T316 WeakPolarHBondContact OG1-CG2 3.34Å
312G70.3Confident87.8Confident35 Ų3548.8 Ų48.836%0.36125%0.249SC..EExtended strand (participates in β ladder)trans-146.1-177.7177.400000111.7T314 G315G312-T314 VanDerWaalsContact C-N 3.28Å; G312-T314 PolarHBondContact O-N 3.05Å; G312-G315 PolarHBondContact N-O 3.21Å; G312-G315 PolarHBondContact O-N 2.82Å; G312-G315 VanDerWaalsContact O-O 3.07Å
313R67.9Low87.7Confident45 Ų4553.1 Ų53.117%0.1727%0.269CS..THydrogen-bonded Turntrans-58.3-37.5-176.5-178.4171.259.3108.6-17.2113.8G315 Q334 N429 E468R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.45Å; R313-Q334 PolarHBondContact O-NE2 3.33Å; R313-Q334 VanDerWaalsContact O-NE2 3.07Å; R313-N429 PolarHBondContact NH2-OD1 3.14Å; R313-E468 VanDerWaalsContact NH1-CB 3.28Å; R313-E468 PolarHBondContact NH1-O 3.05Å; R313-E468 IonicContact NH1-OE2 3.17Å; R313-E468 PolarHBondContact NH1-OE2 3.09Å; R313-E468 PolarHBondContact NH2-O 2.68Å
314T74.6Confident87.5Confident7 Ų758.7 Ų58.74%0.04330%0.299CS..THydrogen-bonded Turntrans-80.1-10.3-179.949.40000112.8G312 K331 L333 Q334 D447 L450 M454G312-T314 VanDerWaalsContact C-N 3.28Å; G312-T314 PolarHBondContact O-N 3.05Å; T314-K331 WeakPolarHBondContact OG1-CE 3.14Å; T314-K331 PolarHBondContact OG1-NZ 3.09Å; T314-L333 WeakPolarHBondContact O-CA 3.39Å; T314-L333 WeakPolarHBondContact O-CD2 3.42Å; T314-Q334 PolarHBondContact O-N 3.47Å; T314-D447 PolarHBondContact OG1-OD2 3.22Å; T314-L450 HydrophobicContact CG2-CB 4.1Å; T314-M454 HydrophobicContact CG2-CG 4.3Å
315G81.2Confident87.6Confident4 Ų458.2 Ų58.24%0.04131%0.307CS..EExtended strand (participates in β ladder)trans142.5-172-179.700000114.4G312 R313 R332G312-G315 PolarHBondContact N-O 3.21Å; G312-G315 PolarHBondContact O-N 2.82Å; G312-G315 VanDerWaalsContact O-O 3.07Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.45Å; G315-R332 CarbonylContact C-O 3.54Å; G315-R332 WeakPolarHBondContact CA-O 3.32Å
316T88.6Confident87.8Confident24 Ų2454.1 Ų54.115%0.14730%0.296CS..EExtended strand (participates in β ladder)trans-105.2130.4179-54.70000110.4I308 T311 Y318 K331 R332I308-T316 HydrophobicContact CB-CG2 4.38Å; I308-T316 HydrophobicContact CD1-CG2 3.95Å; I308-T316 HydrophobicContact CG1-CG2 3.79Å; I308-T316 HydrophobicContact CG2-CG2 3.78Å; T311-T316 WeakPolarHBondContact OG1-CG2 3.34Å; T316-Y318 HydrophobicContact CG2-CD2 4.1Å; T316-Y318 HydrophobicContact CG2-CE1 4.26Å; T316-Y318 HydrophobicContact CG2-CE2 3.43Å; T316-Y318 VanDerWaalsContact CG2-CE2 3.43Å; T316-Y318 WeakPolarHBondContact O-CD2 3Å; T316-K331 CarbonylContact O-C 3.6Å; T316-K331 WeakPolarHBondContact O-CA 3.32Å; T316-R332 PolarHBondContact N-O 3.13Å; T316-R332 PolarHBondContact O-N 3.3Å
317M93.3Very high88Confident3 Ų350.2 Ų50.22%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-95.6128.7176.2-168.564.978.900110.5I308 I309 A310 M329 I330 K331 Y375I308-M317 WeakPolarHBondContact CA-O 3.01Å; I309-M317 HydrophobicContact CB-CG 4.37Å; I309-M317 HydrophobicContact CD1-CG 4.29Å; I309-M317 PolarHBondContact N-O 3.09Å; A310-M317 PolarHBondContact N-O 2.8Å; A310-M317 PolarHBondContact O-N 2.77Å; M317-M329 HydrophobicContact CG-CB 4.15Å; M317-M329 HydrophobicContact CG-SD 4.46Å; M317-M329 HydrophobicContact SD-CB 3.67Å; M317-I330 VanDerWaalsContact SD-C 3.58Å; M317-K331 HydrophobicContact CE-CB 3.72Å; M317-K331 HydrophobicContact CE-CD 3.91Å; M317-K331 HydrophobicContact CE-CG 4.04Å; M317-K331 HydrophobicContact SD-CB 3.72Å; M317-K331 HydrophobicContact SD-CG 4.38Å; M317-Y375 HydrophobicContact CE-CD2 4.08Å; M317-Y375 HydrophobicContact CE-CE2 4.24Å; M317-Y375 HydrophobicContact SD-CD2 4.5Å
318Y95.8Very high88.1Confident10 Ų1049.1 Ų49.14%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-116.8144.6179.5-62.4-99.3000111W269 F303 N307 I308 T316 M329 I330 R332W269-Y318 HydrophobicContact CZ2-CE2 4.39Å; F303-Y318 HydrophobicContact CB-CD1 4.16Å; F303-Y318 HydrophobicContact CB-CE1 3.91Å; F303-Y318 HydrophobicContact CD1-CD1 4.09Å; F303-Y318 AromaticContact CD1-CD2 3.78Å; F303-Y318 HydrophobicContact CD1-CD2 3.78Å; F303-Y318 HydrophobicContact CD1-CE1 4.36Å; F303-Y318 HydrophobicContact CD1-CE2 4.08Å; F303-Y318 AromaticContact CD1-CG 3.79Å; F303-Y318 HydrophobicContact CD1-CG 3.79Å; F303-Y318 HydrophobicContact CE1-CD2 4.37Å; F303-Y318 WeakPolarHBondContact O-CE1 3.47Å; N307-Y318 CarbonylContact O-C 3.55Å; N307-Y318 VanDerWaalsContact O-CA 3.22Å; N307-Y318 WeakPolarHBondContact O-CA 3.49Å; I308-Y318 HydrophobicContact CD1-CE1 4.14Å; I308-Y318 HydrophobicContact CG1-CD1 3.81Å; I308-Y318 HydrophobicContact CG1-CE1 3.43Å; I308-Y318 VanDerWaalsContact CG1-CE1 3.43Å; T316-Y318 HydrophobicContact CG2-CD2 4.1Å; T316-Y318 HydrophobicContact CG2-CE1 4.26Å; T316-Y318 HydrophobicContact CG2-CE2 3.43Å; T316-Y318 VanDerWaalsContact CG2-CE2 3.43Å; T316-Y318 WeakPolarHBondContact O-CD2 3Å; Y318-M329 CarbonylContact O-C 3.58Å; Y318-M329 VanDerWaalsContact O-CA 3.29Å; Y318-M329 WeakPolarHBondContact O-CA 3.38Å; Y318-I330 PolarHBondContact N-O 2.83Å; Y318-I330 PolarHBondContact O-N 3.23Å; Y318-R332 HydrophobicContact CE2-CB 4.03Å
319K96.3Very high88.2Confident70 Ų7046.5 Ų46.530%0.30426%0.255SS..EExtended strand (participates in β ladder)trans-80.5133.2166.6-171170178.4166.20109.3N307 I309 Y377N307-K319 PolarHBondContact O-N 3.3Å; I309-K319 HydrophobicContact CD1-CB 3.81Å; I309-K319 HydrophobicContact CG1-CB 3.83Å; K319-Y377 HydrophobicContact CD-CE2 3.95Å; K319-Y377 HydrophobicContact CG-CD2 4.43Å; K319-Y377 HydrophobicContact CG-CE2 4.08Å; K319-Y377 PolarHBondContact NZ-OH 3.33Å
320G95.6Very high88.4Confident1 Ų144.1 Ų44.11%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-122.9146.8171.500000111.4A299 L327 L328A299-G320 CarbonylContact O-C 3.48Å; A299-G320 VanDerWaalsContact O-CA 3.28Å; A299-G320 WeakPolarHBondContact O-CA 3.18Å; G320-L327 WeakPolarHBondContact O-CA 3.25Å; G320-L328 PolarHBondContact N-O 3.37Å; G320-L328 PolarHBondContact O-N 3.27Å
321R95.3Very high88.8Confident146 Ų14642.9 Ų42.955%0.55123%0.232SC*.EExtended strand (participates in β ladder)trans-121114.3167.9-177-178.6-67.2-83.29.3109.9A299 G325 L327A299-R321 WeakPolarHBondContact CA-O 3.3Å; A299-R321 VanDerWaalsContact CB-O 3.28Å; A299-R321 WeakPolarHBondContact CB-O 3.37Å; A299-R321 PolarHBondContact O-N 2.93Å; R321-G325 PolarHBondContact NH1-O 3.2Å; R321-G325 VanDerWaalsContact NH1-O 3.14Å; R321-L327 HydrophobicContact CB-CD2 3.92Å; R321-L327 HydrophobicContact CG-CD2 4.15Å
322L91.4Very high89.3Confident41 Ų4141.3 Ų41.322%0.21522%0.216CC..  trans-70.5166.2175.3-64.5174.3000111.1M291 A299 D324 G325 S326 L328M291-L322 HydrophobicContact SD-CD2 4.02Å; A299-L322 HydrophobicContact CB-CD2 4.12Å; L322-D324 WeakPolarHBondContact CB-OD1 3.37Å; L322-D324 PolarHBondContact O-N 3.21Å; L322-G325 WeakPolarHBondContact O-CA 3.33Å; L322-G325 PolarHBondContact O-N 2.87Å; L322-S326 PolarHBondContact N-O 3.2Å; L322-L328 HydrophobicContact CD1-CD2 4.12Å; L322-L328 HydrophobicContact CD2-CD2 3.85Å; L322-L328 HydrophobicContact CG-CD2 3.57Å
323E88.6Confident90.1Very high148 Ų14840 Ų4069%0.69220%0.2SC*.THydrogen-bonded Turntrans-63.7-28.2-177.9-63.1-171.3158.200113.5K298 G325K298-E323 HydrophobicContact CD-CG 4.36Å; K298-E323 WeakPolarHBondContact CD-OE1 3.33Å; K298-E323 WeakPolarHBondContact CE-OE1 3.35Å; K298-E323 IonicContact NZ-OE1 2.64Å; K298-E323 PolarHBondContact NZ-OE1 2.75Å; E323-G325 PolarHBondContact O-N 3.01Å
324D89.1Confident90.6Very high118 Ų11841.6 Ų41.663%0.63121%0.21SC*.THydrogen-bonded Turntrans-76.7-1174.268.2-11.4000113L322 S326L322-D324 WeakPolarHBondContact CB-OD1 3.37Å; L322-D324 PolarHBondContact O-N 3.21Å; D324-S326 VanDerWaalsContact C-N 3.32Å; D324-S326 WeakPolarHBondContact OD1-CB 3.29Å; D324-S326 PolarHBondContact OD1-N 3.37Å; D324-S326 PolarHBondContact OD1-OG 2.89Å; D324-S326 VanDerWaalsContact OD1-OG 3.12Å; D324-S326 PolarHBondContact OD2-OG 3.32Å
325G90.4Very high90.4Very high34 Ų3445 Ų4535%0.35123%0.227SC..SBendtrans88.3-8.6-177.400000114.4R321 L322 E323R321-G325 PolarHBondContact NH1-O 3.2Å; R321-G325 VanDerWaalsContact NH1-O 3.14Å; L322-G325 WeakPolarHBondContact O-CA 3.33Å; L322-G325 PolarHBondContact O-N 2.87Å; E323-G325 PolarHBondContact O-N 3.01Å
326S91.6Very high89.6Confident57 Ų5745.2 Ų45.240%0.39923%0.229SC..  trans-61.9138.3178.8-640000110.9L322 D324L322-S326 PolarHBondContact N-O 3.2Å; D324-S326 VanDerWaalsContact C-N 3.32Å; D324-S326 WeakPolarHBondContact OD1-CB 3.29Å; D324-S326 PolarHBondContact OD1-N 3.37Å; D324-S326 PolarHBondContact OD1-OG 2.89Å; D324-S326 VanDerWaalsContact OD1-OG 3.12Å; D324-S326 PolarHBondContact OD2-OG 3.32Å
327L94.6Very high88.5Confident53 Ų5350.9 Ų50.928%0.27725%0.253SS..EExtended strand (participates in β ladder)trans-96.4143177.4-66174.6000110.7G320 R321 Y377G320-L327 WeakPolarHBondContact O-CA 3.25Å; R321-L327 HydrophobicContact CB-CD2 3.92Å; R321-L327 HydrophobicContact CG-CD2 4.15Å; L327-Y377 HydrophobicContact CB-CD1 3.73Å; L327-Y377 HydrophobicContact CB-CD2 4.41Å; L327-Y377 HydrophobicContact CB-CG 3.64Å; L327-Y377 HydrophobicContact CD1-CD1 3.57Å; L327-Y377 HydrophobicContact CD1-CE1 3.62Å; L327-Y377 HydrophobicContact CD1-CG 4.24Å; L327-Y377 HydrophobicContact CG-CD1 4.3Å; L327-Y377 WeakPolarHBondContact O-CB 3.23Å
328L94.4Very high87.2Confident4 Ų451.7 Ų51.72%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-139.4163.917168.3164.1000110.9L296 A299 G320 L322 I330 M374 Y375L296-L328 HydrophobicContact CD2-CD1 4.15Å; A299-L328 HydrophobicContact CB-CD2 4.5Å; G320-L328 PolarHBondContact N-O 3.37Å; G320-L328 PolarHBondContact O-N 3.27Å; L322-L328 HydrophobicContact CD1-CD2 4.12Å; L322-L328 HydrophobicContact CD2-CD2 3.85Å; L322-L328 HydrophobicContact CG-CD2 3.57Å; L328-I330 HydrophobicContact CD1-CD1 3.86Å; L328-I330 HydrophobicContact CD1-CG1 3.7Å; L328-I330 HydrophobicContact CG-CD1 4.15Å; L328-I330 HydrophobicContact CG-CG1 4.05Å; L328-M374 HydrophobicContact CD1-CB 4.41Å; L328-Y375 WeakPolarHBondContact CA-O 3.09Å; L328-Y375 WeakPolarHBondContact CB-O 3.37Å
329M95.7Very high86.1Confident1 Ų153.8 Ų53.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-110.4134.7167.9-65-174.3-68.300109.7I309 M317 Y318 M374 Y375 E376 Y377 M378 L436I309-M329 HydrophobicContact CD1-CB 4.41Å; I309-M329 HydrophobicContact CD1-CG 3.55Å; I309-M329 HydrophobicContact CD1-SD 3.72Å; M317-M329 HydrophobicContact CG-CB 4.15Å; M317-M329 HydrophobicContact CG-SD 4.46Å; M317-M329 HydrophobicContact SD-CB 3.67Å; Y318-M329 CarbonylContact O-C 3.58Å; Y318-M329 VanDerWaalsContact O-CA 3.29Å; Y318-M329 WeakPolarHBondContact O-CA 3.38Å; M329-M374 CarbonylContact O-C 3.55Å; M329-M374 WeakPolarHBondContact O-CA 3.28Å; M329-Y375 PolarHBondContact N-O 3.2Å; M329-Y375 PolarHBondContact O-N 2.98Å; M329-E376 WeakPolarHBondContact CE-O 3.16Å; M329-Y377 HydrophobicContact CG-CD2 3.7Å; M329-Y377 HydrophobicContact CG-CE2 4.49Å; M329-Y377 HydrophobicContact SD-CD2 4.28Å; M329-M378 HydrophobicContact CE-CB 3.87Å; M329-M378 HydrophobicContact CE-CG 3.52Å; M329-L436 HydrophobicContact CE-CD1 3.5Å; M329-L436 VanDerWaalsContact CE-CD1 3.5Å; M329-L436 HydrophobicContact SD-CD1 4.31Å
330I95.4Very high85.3Confident0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-121.6116.1-179.4-59.1157.2000108.6L296 T300 F303 M317 Y318 L328 L372 L373 M374L296-I330 HydrophobicContact CB-CD1 4.35Å; L296-I330 HydrophobicContact CD2-CD1 3.91Å; L296-I330 HydrophobicContact CD2-CG1 4.5Å; T300-I330 HydrophobicContact CG2-CD1 3.35Å; T300-I330 HydrophobicContact CG2-CG1 4.5Å; F303-I330 HydrophobicContact CE1-CB 4.26Å; F303-I330 HydrophobicContact CE1-CG2 3.71Å; F303-I330 HydrophobicContact CZ-CG2 4.15Å; M317-I330 VanDerWaalsContact SD-C 3.58Å; Y318-I330 PolarHBondContact N-O 2.83Å; Y318-I330 PolarHBondContact O-N 3.23Å; L328-I330 HydrophobicContact CD1-CD1 3.86Å; L328-I330 HydrophobicContact CD1-CG1 3.7Å; L328-I330 HydrophobicContact CG-CD1 4.15Å; L328-I330 HydrophobicContact CG-CG1 4.05Å; I330-L372 HydrophobicContact CG2-CB 4.21Å; I330-L373 CarbonylContact C-O 3.52Å; I330-L373 VanDerWaalsContact CA-O 3.28Å; I330-L373 WeakPolarHBondContact CA-O 3Å; I330-M374 HydrophobicContact CG1-CG 4.27Å
331K93.7Very high84.4Confident5 Ų564.5 Ų64.52%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-93.4118.4175.9-164.1171.6-172.2134.20110.4T314 T316 M317 L333 L372 L373 Y375 D447 L450T314-K331 WeakPolarHBondContact OG1-CE 3.14Å; T314-K331 PolarHBondContact OG1-NZ 3.09Å; T316-K331 CarbonylContact O-C 3.6Å; T316-K331 WeakPolarHBondContact O-CA 3.32Å; M317-K331 HydrophobicContact CE-CB 3.72Å; M317-K331 HydrophobicContact CE-CD 3.91Å; M317-K331 HydrophobicContact CE-CG 4.04Å; M317-K331 HydrophobicContact SD-CB 3.72Å; M317-K331 HydrophobicContact SD-CG 4.38Å; K331-L333 HydrophobicContact CD-CD2 3.94Å; K331-L333 HydrophobicContact CG-CD2 4.11Å; K331-L372 CarbonylContact O-C 3.59Å; K331-L372 VanDerWaalsContact O-CA 3.3Å; K331-L372 WeakPolarHBondContact O-CA 3.15Å; K331-L373 HydrophobicContact CB-CB 4.25Å; K331-L373 PolarHBondContact N-O 3.36Å; K331-L373 PolarHBondContact O-N 3Å; K331-Y375 HydrophobicContact CB-CE2 4.16Å; K331-D447 IonicContact NZ-OD1 2.77Å; K331-D447 PolarHBondContact NZ-OD1 2.84Å; K331-D447 IonicContact NZ-OD2 2.67Å; K331-D447 PolarHBondContact NZ-OD2 3.06Å; K331-L450 HydrophobicContact CD-CD1 3.93Å
332R91.5Very high83.5Confident62 Ų6261.8 Ų61.823%0.23431%0.314CS..EExtended strand (participates in β ladder)trans-84.3109.2164.6-175.7-157.7-176.3-166.6-3.9108.5W269 G315 T316 Y318 E370 L372W269-R332 VanDerWaalsContact CB-NH2 3.34Å; W269-R332 VanDerWaalsContact CD2-NE 3.31Å; W269-R332 VanDerWaalsContact CG-NH1 3.32Å; W269-R332 VanDerWaalsContact CG-NH2 3.29Å; W269-R332 HydrophobicContact CH2-CB 4.22Å; W269-R332 HydrophobicContact CH2-CG 3.9Å; W269-R332 HydrophobicContact CZ2-CB 4.4Å; W269-R332 VanDerWaalsContact CZ2-CD 3.5Å; W269-R332 HydrophobicContact CZ2-CG 4.15Å; W269-R332 HydrophobicContact CZ3-CG 4.12Å; G315-R332 CarbonylContact C-O 3.54Å; G315-R332 WeakPolarHBondContact CA-O 3.32Å; T316-R332 PolarHBondContact N-O 3.13Å; T316-R332 PolarHBondContact O-N 3.3Å; Y318-R332 HydrophobicContact CE2-CB 4.03Å; R332-E370 IonicContact CZ-OE1 2.68Å; R332-E370 IonicContact CZ-OE2 3.09Å; R332-E370 IonicContact NE-OE1 3.93Å; R332-E370 IonicContact NE-OE2 2.69Å; R332-E370 PolarHBondContact NE-OE2 3.19Å; R332-E370 IonicContact NH2-OE1 3.23Å; R332-E370 PolarHBondContact NH2-OE1 3.24Å; R332-E370 IonicContact NH2-OE2 2.77Å; R332-E370 PolarHBondContact NH2-OE2 2.93Å; R332-L372 HydrophobicContact CB-CD2 3.84Å; R332-L372 HydrophobicContact CG-CD2 3.9Å
333L87.3Confident83.1Confident6 Ų659.9 Ų59.93%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-70.5150.6176.7-58179.8000110.8T314 K331 F343 R371 L373 L450 M454T314-L333 WeakPolarHBondContact O-CA 3.39Å; T314-L333 WeakPolarHBondContact O-CD2 3.42Å; K331-L333 HydrophobicContact CD-CD2 3.94Å; K331-L333 HydrophobicContact CG-CD2 4.11Å; L333-F343 HydrophobicContact CD1-CE2 3.73Å; L333-F343 HydrophobicContact CD1-CZ 4.09Å; L333-R371 HydrophobicContact CB-CB 4.14Å; L333-R371 HydrophobicContact CD1-CB 3.99Å; L333-R371 HydrophobicContact CG-CB 4.36Å; L333-R371 PolarHBondContact N-O 2.92Å; L333-L373 HydrophobicContact CD1-CD1 4Å; L333-L373 HydrophobicContact CD1-CD2 4.32Å; L333-L373 HydrophobicContact CD1-CG 4Å; L333-L373 HydrophobicContact CD2-CD1 3.92Å; L333-L373 HydrophobicContact CD2-CG 4.26Å; L333-L373 HydrophobicContact CG-CD1 4.24Å; L333-L373 HydrophobicContact CG-CG 4.13Å; L333-L450 HydrophobicContact CD2-CD1 4.15Å; L333-M454 HydrophobicContact CB-SD 3.91Å; L333-M454 HydrophobicContact CD1-SD 4.2Å; L333-M454 HydrophobicContact CD2-SD 4.2Å; L333-M454 HydrophobicContact CG-SD 4.33Å
334Q77.6Confident82.8Confident80 Ų8054.6 Ų54.637%0.37428%0.28SS..  trans-64.6158.9166.4-55-170.1-1.100110.4R313 T314 S336 M454R313-Q334 PolarHBondContact O-NE2 3.33Å; R313-Q334 VanDerWaalsContact O-NE2 3.07Å; T314-Q334 PolarHBondContact O-N 3.47Å; Q334-S336 PolarHBondContact O-N 3.43Å; Q334-M454 HydrophobicContact CB-CE 3.61Å; Q334-M454 VanDerWaalsContact O-CE 3.26Å; Q334-M454 WeakPolarHBondContact O-CE 3.12Å
335D71.5Confident82.3Confident77 Ų7751.2 Ų51.241%0.41227%0.269SS..  trans-69.1113.7177.7-173.1-1000110.1Q337D335-Q337 PolarHBondContact OD1-N 3.46Å; D335-Q337 PolarHBondContact OD2-NE2 3.04Å
336S64Low81.7Confident10 Ų1049.9 Ų49.97%0.0725%0.254CS..  trans-93.72-179.464.30000114.1Q334 R338 M454 P456Q334-S336 PolarHBondContact O-N 3.43Å; S336-R338 PolarHBondContact O-N 2.76Å; S336-M454 VanDerWaalsContact CB-O 3.27Å; S336-M454 WeakPolarHBondContact CB-O 3.36Å; S336-P456 WeakPolarHBondContact O-CG 3.22Å
337Q65.6Low81.4Confident142 Ų14247.2 Ų47.266%0.66424%0.235SC*.  trans56.38-172-56.4-57.5-39.800115.2D335D335-Q337 PolarHBondContact OD1-N 3.46Å; D335-Q337 PolarHBondContact OD2-NE2 3.04Å
338R66.4Low80.8Confident20 Ų2050.1 Ų50.18%0.07525%0.245CC..  trans-72.8145178.6-67.3-163.677.9133.2-0.9112.3S336 R371 R452 L453 N455 P456 D458S336-R338 PolarHBondContact O-N 2.76Å; R338-R371 PolarHBondContact O-NH2 3.2Å; R338-R452 PolarHBondContact NH1-O 3.44Å; R338-L453 WeakPolarHBondContact CD-O 3.45Å; R338-N455 PolarHBondContact NH1-O 3.23Å; R338-P456 HydrophobicContact CG-CB 3.87Å; R338-D458 PolarHBondContact NH1-O 3.3Å; R338-D458 VanDerWaalsContact NH1-O 3.1Å
339S71.8Confident79.9Confident54 Ų5452.3 Ų52.338%0.37826%0.259SS..  trans-64.7150.6173.372.30000110.9K341 E342 F343S339-K341 PolarHBondContact O-N 3.01Å; S339-E342 WeakPolarHBondContact CB-OE2 3.14Å; S339-E342 PolarHBondContact N-OE2 3.05Å; S339-E342 VanDerWaalsContact N-OE2 3.1Å; S339-E342 PolarHBondContact O-N 3.08Å; S339-E342 WeakPolarHBondContact OG-CB 3.22Å; S339-E342 WeakPolarHBondContact OG-CG 3.46Å; S339-E342 PolarHBondContact OG-N 2.88Å; S339-E342 PolarHBondContact OG-OE2 3Å; S339-F343 PolarHBondContact O-N 2.79Å
340E79.4Confident79.2Confident118 Ų11852.6 Ų52.655%0.55126%0.26SS*.Hα-helixtrans-57.4-36176.7179.5175.7169.500112.2F343 D344 V366E340-F343 PolarHBondContact O-N 3.11Å; E340-D344 WeakPolarHBondContact O-CB 3.27Å; E340-D344 PolarHBondContact O-N 3.42Å; E340-V366 HydrophobicContact CB-CG1 4.48Å; E340-V366 HydrophobicContact CG-CB 4.46Å; E340-V366 HydrophobicContact CG-CG1 3.89Å
341K77.1Confident78.6Confident178 Ų17852.8 Ų52.877%0.77426%0.263SS*.Hα-helixtrans-66.3-44.6179.1-68.6-174.5179.7-179.60112.7S339 F343 D344 A345S339-K341 PolarHBondContact O-N 3.01Å; K341-F343 VanDerWaalsContact C-N 3.34Å; K341-D344 PolarHBondContact O-N 3.49Å; K341-A345 PolarHBondContact O-N 3.42Å; K341-A345 VanDerWaalsContact O-N 3.09Å
342E76.4Confident77.9Confident90 Ų9056.6 Ų56.642%0.42129%0.29SS..Hα-helixtrans-66.2-40.9177.1-70.6161.5148.100111.1S339 A345 E346S339-E342 WeakPolarHBondContact CB-OE2 3.14Å; S339-E342 PolarHBondContact N-OE2 3.05Å; S339-E342 VanDerWaalsContact N-OE2 3.1Å; S339-E342 PolarHBondContact O-N 3.08Å; S339-E342 WeakPolarHBondContact OG-CB 3.22Å; S339-E342 WeakPolarHBondContact OG-CG 3.46Å; S339-E342 PolarHBondContact OG-N 2.88Å; S339-E342 PolarHBondContact OG-OE2 3Å; E342-A345 PolarHBondContact O-N 2.83Å; E342-E346 WeakPolarHBondContact O-CG 3.38Å; E342-E346 PolarHBondContact O-N 3.38Å
343F82.8Confident77.4Confident1 Ų154.6 Ų54.60%0.00429%0.285CS..Hα-helixtrans-61.4-46.5176.1-176-94.5000111.7L333 S339 E340 K341 A345 E346 M347 Y364 V366 R371 L373 L453L333-F343 HydrophobicContact CD1-CE2 3.73Å; L333-F343 HydrophobicContact CD1-CZ 4.09Å; S339-F343 PolarHBondContact O-N 2.79Å; E340-F343 PolarHBondContact O-N 3.11Å; K341-F343 VanDerWaalsContact C-N 3.34Å; F343-A345 PolarHBondContact O-N 3.16Å; F343-E346 PolarHBondContact O-N 2.78Å; F343-M347 HydrophobicContact CD1-CG 3.85Å; F343-M347 HydrophobicContact CE1-CG 3.48Å; F343-M347 VanDerWaalsContact CE1-CG 3.48Å; F343-M347 HydrophobicContact CE1-SD 4.24Å; F343-M347 HydrophobicContact CE2-CE 4.26Å; F343-M347 HydrophobicContact CE2-CG 4.29Å; F343-M347 HydrophobicContact CG-CG 4.42Å; F343-M347 HydrophobicContact CZ-CE 4.23Å; F343-M347 HydrophobicContact CZ-CG 3.73Å; F343-M347 HydrophobicContact CZ-SD 3.97Å; F343-M347 VanDerWaalsContact O-CB 3.31Å; F343-M347 WeakPolarHBondContact O-CB 3.44Å; F343-M347 WeakPolarHBondContact O-CG 3.24Å; F343-M347 PolarHBondContact O-N 3Å; F343-Y364 HydrophobicContact CD1-CD2 4.28Å; F343-Y364 HydrophobicContact CD1-CE2 4.3Å; F343-Y364 AromaticContact CE1-CD2 3.61Å; F343-Y364 HydrophobicContact CE1-CD2 3.61Å; F343-Y364 HydrophobicContact CE1-CE2 4.08Å; F343-Y364 HydrophobicContact CE1-CG 4.27Å; F343-V366 HydrophobicContact CD1-CG2 3.56Å; F343-V366 HydrophobicContact CE1-CG2 3.67Å; F343-R371 HydrophobicContact CD2-CG 4.32Å; F343-R371 HydrophobicContact CE1-CB 4.45Å; F343-R371 HydrophobicContact CE2-CB 4.01Å; F343-R371 HydrophobicContact CE2-CG 4.07Å; F343-R371 HydrophobicContact CZ-CB 3.84Å; F343-R371 HydrophobicContact CZ-CG 4.18Å; F343-L373 HydrophobicContact CZ-CD2 3.89Å; F343-L453 HydrophobicContact CD2-CD2 4.15Å; F343-L453 HydrophobicContact CE2-CD2 4.32Å
344D82.3Confident77.2Confident36 Ų3661.5 Ų61.519%0.19331%0.314CS..Hα-helixtrans-59.5-43.2176.1167.463.5000112.5E340 K341 M347 K348 Y364E340-D344 WeakPolarHBondContact O-CB 3.27Å; E340-D344 PolarHBondContact O-N 3.42Å; K341-D344 PolarHBondContact O-N 3.49Å; D344-M347 PolarHBondContact O-N 3.2Å; D344-K348 VanDerWaalsContact CG-NZ 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.5Å; D344-K348 PolarHBondContact O-N 3.07Å; D344-K348 WeakPolarHBondContact OD1-CE 3.41Å; D344-K348 IonicContact OD1-NZ 3.67Å; D344-K348 PolarHBondContact OD1-NZ 3.39Å; D344-K348 VanDerWaalsContact OD1-NZ 3.13Å; D344-K348 WeakPolarHBondContact OD2-CE 3.4Å; D344-K348 IonicContact OD2-NZ 2.67Å; D344-K348 PolarHBondContact OD2-NZ 2.81Å; D344-Y364 PolarHBondContact OD1-OH 3.46Å
345A79.3Confident77.7Confident48 Ų4859.3 Ų59.340%0.39731%0.305SS..Hα-helixtrans-63.3-45.5177.900000112.4K341 E342 F343 K348 T349K341-A345 PolarHBondContact O-N 3.42Å; K341-A345 VanDerWaalsContact O-N 3.09Å; E342-A345 PolarHBondContact O-N 2.83Å; F343-A345 PolarHBondContact O-N 3.16Å; A345-K348 PolarHBondContact O-N 3.33Å; A345-T349 PolarHBondContact O-N 2.77Å; A345-T349 PolarHBondContact O-OG1 3Å
346E77.9Confident78.7Confident5 Ų559.3 Ų59.32%0.02330%0.299CS..Hα-helixtrans-66.8-39.6177.3-72.9-71.6167.900112.1E342 F343 K348 T349 L350 R452 L453 H460E342-E346 WeakPolarHBondContact O-CG 3.38Å; E342-E346 PolarHBondContact O-N 3.38Å; F343-E346 PolarHBondContact O-N 2.78Å; E346-K348 VanDerWaalsContact C-N 3.35Å; E346-K348 PolarHBondContact O-N 3.41Å; E346-T349 WeakPolarHBondContact O-CB 3.45Å; E346-T349 PolarHBondContact O-N 2.77Å; E346-L350 PolarHBondContact O-N 3.5Å; E346-R452 IonicContact OE1-NE 3.64Å; E346-R452 IonicContact OE2-CZ 3.36Å; E346-R452 IonicContact OE2-NE 3.13Å; E346-R452 PolarHBondContact OE2-NE 3.47Å; E346-R452 IonicContact OE2-NH2 3.91Å; E346-R452 PolarHBondContact OE2-NH2 2.84Å; E346-L453 HydrophobicContact CB-CD2 3.31Å; E346-L453 HydrophobicContact CB-CG 4.28Å; E346-L453 HydrophobicContact CG-CD2 4.07Å; E346-H460 IonicContact OE1-CE1 3.12Å; E346-H460 PolarHBondContact OE1-CE1 3.38Å; E346-H460 IonicContact OE1-ND1 3.6Å; E346-H460 PolarHBondContact OE1-ND1 2.79Å
347M85.1Confident80.1Confident1 Ų159.1 Ų59.11%0.00530%0.298CS..Hα-helixtrans-61.8-40.6173.7-77.6-64.1103.300112.5F284 F343 D344 T349 L350 G351 L361 Y364 L373 L453F284-M347 HydrophobicContact CZ-CB 4.45Å; F284-M347 WeakPolarHBondContact CZ-O 3.32Å; F343-M347 HydrophobicContact CD1-CG 3.85Å; F343-M347 HydrophobicContact CE1-CG 3.48Å; F343-M347 VanDerWaalsContact CE1-CG 3.48Å; F343-M347 HydrophobicContact CE1-SD 4.24Å; F343-M347 HydrophobicContact CE2-CE 4.26Å; F343-M347 HydrophobicContact CE2-CG 4.29Å; F343-M347 HydrophobicContact CG-CG 4.42Å; F343-M347 HydrophobicContact CZ-CE 4.23Å; F343-M347 HydrophobicContact CZ-CG 3.73Å; F343-M347 HydrophobicContact CZ-SD 3.97Å; F343-M347 VanDerWaalsContact O-CB 3.31Å; F343-M347 WeakPolarHBondContact O-CB 3.44Å; F343-M347 WeakPolarHBondContact O-CG 3.24Å; F343-M347 PolarHBondContact O-N 3Å; D344-M347 PolarHBondContact O-N 3.2Å; M347-T349 VanDerWaalsContact C-N 3.3Å; M347-T349 PolarHBondContact O-N 2.85Å; M347-L350 HydrophobicContact CE-CD1 3.89Å; M347-L350 PolarHBondContact O-N 3.13Å; M347-G351 PolarHBondContact O-N 3.01Å; M347-L361 HydrophobicContact SD-CD2 4.26Å; M347-Y364 HydrophobicContact CB-CD1 3.58Å; M347-Y364 HydrophobicContact CB-CE1 3.42Å; M347-Y364 VanDerWaalsContact CB-CE1 3.42Å; M347-Y364 HydrophobicContact CB-CE2 4.4Å; M347-Y364 HydrophobicContact CB-CG 4.14Å; M347-Y364 HydrophobicContact CG-CD1 3.73Å; M347-Y364 HydrophobicContact CG-CD2 4.05Å; M347-Y364 HydrophobicContact CG-CE1 3.98Å; M347-Y364 HydrophobicContact CG-CE2 4.27Å; M347-Y364 HydrophobicContact CG-CG 3.77Å; M347-Y364 HydrophobicContact SD-CD1 4.07Å; M347-Y364 HydrophobicContact SD-CG 4.02Å; M347-L373 HydrophobicContact CE-CD2 4.05Å; M347-L373 HydrophobicContact SD-CD2 3.35Å; M347-L373 WeakPolarHBondContact SD-CD2 3.33Å; M347-L453 HydrophobicContact CE-CD1 3.14Å; M347-L453 HydrophobicContact CE-CD2 3.58Å; M347-L453 HydrophobicContact CE-CG 3.99Å
348K81.3Confident81.4Confident114 Ų11452.5 Ų52.550%0.49627%0.267SS..Hα-helixtrans-61.7-39.9175.2-77.6167.8176.9160.40112.1D344 A345 E346 S352D344-K348 VanDerWaalsContact CG-NZ 3.31Å; D344-K348 WeakPolarHBondContact O-CG 3.5Å; D344-K348 PolarHBondContact O-N 3.07Å; D344-K348 WeakPolarHBondContact OD1-CE 3.41Å; D344-K348 IonicContact OD1-NZ 3.67Å; D344-K348 PolarHBondContact OD1-NZ 3.39Å; D344-K348 VanDerWaalsContact OD1-NZ 3.13Å; D344-K348 WeakPolarHBondContact OD2-CE 3.4Å; D344-K348 IonicContact OD2-NZ 2.67Å; D344-K348 PolarHBondContact OD2-NZ 2.81Å; A345-K348 PolarHBondContact O-N 3.33Å; E346-K348 VanDerWaalsContact C-N 3.35Å; E346-K348 PolarHBondContact O-N 3.41Å; K348-S352 PolarHBondContact O-N 3.35Å
349T77.1Confident82.7Confident50 Ų5051.7 Ų51.731%0.30726%0.264SS..Hα-helixtrans-63.2-52.1173.5-570000110.7A345 E346 M347 G351 S352A345-T349 PolarHBondContact O-N 2.77Å; A345-T349 PolarHBondContact O-OG1 3Å; E346-T349 WeakPolarHBondContact O-CB 3.45Å; E346-T349 PolarHBondContact O-N 2.77Å; M347-T349 VanDerWaalsContact C-N 3.3Å; M347-T349 PolarHBondContact O-N 2.85Å; T349-G351 PolarHBondContact O-N 2.89Å; T349-S352 PolarHBondContact O-N 2.9Å; T349-S352 PolarHBondContact O-OG 3.12Å
350L80.9Confident83.6Confident7 Ų751 Ų514%0.03726%0.258CS..Hα-helixtrans-67.2-35.6-177.9-75.8163.1000114E346 M347 S352 V353 I425 F448 L453E346-L350 PolarHBondContact O-N 3.5Å; M347-L350 HydrophobicContact CE-CD1 3.89Å; M347-L350 PolarHBondContact O-N 3.13Å; L350-S352 PolarHBondContact O-N 3.13Å; L350-V353 WeakPolarHBondContact O-CB 3.2Å; L350-V353 PolarHBondContact O-N 3.12Å; L350-V353 VanDerWaalsContact O-N 3.13Å; L350-I425 HydrophobicContact CD2-CD1 4.47Å; L350-F448 HydrophobicContact CD2-CD2 4.01Å; L350-F448 HydrophobicContact CD2-CE2 4.1Å; L350-L453 HydrophobicContact CD1-CD1 3.25Å; L350-L453 HydrophobicContact CD1-CG 3.98Å
351G81.8Confident84.1Confident5 Ų546.4 Ų46.45%0.05224%0.237CC..Hα-helixtrans-71.5-14.8176.700000114.3M347 T349 V353M347-G351 PolarHBondContact O-N 3.01Å; T349-G351 PolarHBondContact O-N 2.89Å; G351-V353 VanDerWaalsContact C-N 3.35Å
352S78.1Confident84.7Confident85 Ų8539.4 Ų39.459%0.59421%0.208SC*.Hα-helixtrans-78.8-20.6170.576.40000112.9K348 T349 L350 K354K348-S352 PolarHBondContact O-N 3.35Å; T349-S352 PolarHBondContact O-N 2.9Å; T349-S352 PolarHBondContact O-OG 3.12Å; L350-S352 PolarHBondContact O-N 3.13Å; S352-K354 PolarHBondContact O-N 3.27Å
353V81.8Confident85.4Confident20 Ų2035.1 Ų35.112%0.12119%0.188CC..  trans-72.2115.4179.2173.80000109.8L350 G351 L358 W416 I425 F448L350-V353 WeakPolarHBondContact O-CB 3.2Å; L350-V353 PolarHBondContact O-N 3.12Å; L350-V353 VanDerWaalsContact O-N 3.13Å; G351-V353 VanDerWaalsContact C-N 3.35Å; V353-L358 HydrophobicContact CG1-CD1 3.47Å; V353-L358 VanDerWaalsContact CG1-CD1 3.47Å; V353-W416 HydrophobicContact CG1-CH2 3.76Å; V353-W416 HydrophobicContact CG1-CZ3 3.58Å; V353-I425 HydrophobicContact CG2-CD1 4.1Å; V353-F448 HydrophobicContact CB-CE2 4.14Å; V353-F448 HydrophobicContact CG1-CE2 3.8Å; V353-F448 HydrophobicContact CG1-CZ 4.33Å
354K83.2Confident85.8Confident151 Ų15135.2 Ų35.266%0.65719%0.188SC*.  trans-131122.3176.1-65-175.7-176.4174.70109.8S352S352-K354 PolarHBondContact O-N 3.27Å
355N89Confident86.2Confident33 Ų3333.5 Ų33.518%0.17618%0.179CC..  trans-151.3147.2176177.1-75.1000108.8N357 L358 W416N355-N357 PolarHBondContact O-N 2.69Å; N355-N357 PolarHBondContact OD1-N 3.31Å; N355-L358 HydrophobicContact CB-CB 4.33Å; N355-L358 HydrophobicContact CB-CD1 3.79Å; N355-L358 HydrophobicContact CB-CG 3.83Å; N355-L358 PolarHBondContact O-N 3.06Å; N355-L358 VanDerWaalsContact O-N 3.15Å; N355-W416 HydrophobicContact CB-CD2 4.23Å; N355-W416 HydrophobicContact CB-CE3 4.16Å; N355-W416 HydrophobicContact CB-CZ3 4.4Å; N355-W416 VanDerWaalsContact ND2-CG 3.31Å
356R91Very high86.5Confident78 Ų7831.8 Ų31.829%0.29416%0.164SC..THydrogen-bonded Turntrans-58-32.3-177.658.4168.173-167.4-3.2113.4K444 T596 D599R356-K444 PolarHBondContact O-NZ 3.06Å; R356-T596 PolarHBondContact NH1-OG1 2.86Å; R356-D599 VanDerWaalsContact CZ-CG 3.47Å; R356-D599 IonicContact CZ-OD2 2.76Å; R356-D599 IonicContact NE-OD2 3.69Å; R356-D599 PolarHBondContact NE-OD2 2.91Å; R356-D599 IonicContact NH2-OD1 3.46Å; R356-D599 PolarHBondContact NH2-OD1 2.8Å; R356-D599 VanDerWaalsContact NH2-OD1 3.14Å; R356-D599 IonicContact NH2-OD2 3.29Å; R356-D599 PolarHBondContact NH2-OD2 3.07Å
357N94.6Very high86.8Confident6 Ų631.6 Ų31.63%0.03216%0.163CC..THydrogen-bonded Turntrans-9916.2-178.6-61.6112.5000113.3N355 G409 P443 K444 I445N355-N357 PolarHBondContact O-N 2.69Å; N355-N357 PolarHBondContact OD1-N 3.31Å; N357-G409 VanDerWaalsContact CB-O 3.28Å; N357-G409 WeakPolarHBondContact CB-O 3.35Å; N357-G409 PolarHBondContact ND2-O 3.07Å; N357-G409 PolarHBondContact OD1-O 2.74Å; N357-P443 WeakPolarHBondContact CA-O 3.38Å; N357-P443 PolarHBondContact ND2-O 2.73Å; N357-K444 CarbonylContact O-C 3.54Å; N357-K444 WeakPolarHBondContact O-CA 3.49Å; N357-I445 PolarHBondContact O-N 3.3Å
358L93.4Very high86.5Confident3 Ų336.5 Ų36.52%0.01619%0.189CC..BIsolated β-bridgetrans-114.8145.4171.7-59.9-178000110.1V353 N355 P360 W416 L417 I445 F448V353-L358 HydrophobicContact CG1-CD1 3.47Å; V353-L358 VanDerWaalsContact CG1-CD1 3.47Å; N355-L358 HydrophobicContact CB-CB 4.33Å; N355-L358 HydrophobicContact CB-CD1 3.79Å; N355-L358 HydrophobicContact CB-CG 3.83Å; N355-L358 PolarHBondContact O-N 3.06Å; N355-L358 VanDerWaalsContact O-N 3.15Å; L358-P360 WeakPolarHBondContact O-CD 3.46Å; L358-W416 HydrophobicContact CD1-CE3 4.12Å; L358-W416 HydrophobicContact CD1-CZ3 3.9Å; L358-L417 HydrophobicContact CD1-CD2 3.91Å; L358-L417 HydrophobicContact CD1-CG 4.43Å; L358-L417 HydrophobicContact CD2-CD1 3.95Å; L358-L417 HydrophobicContact CD2-CD2 4.43Å; L358-L417 HydrophobicContact CD2-CG 4.25Å; L358-I445 HydrophobicContact CD2-CB 3.78Å; L358-I445 HydrophobicContact CD2-CD1 4.01Å; L358-I445 HydrophobicContact CD2-CG1 4.41Å; L358-I445 HydrophobicContact CD2-CG2 4.45Å; L358-F448 HydrophobicContact CB-CD1 4.42Å; L358-F448 HydrophobicContact CB-CE1 3.78Å; L358-F448 HydrophobicContact CB-CZ 4.12Å; L358-F448 HydrophobicContact CD1-CE1 4.28Å; L358-F448 HydrophobicContact CD1-CE2 4.23Å; L358-F448 HydrophobicContact CD1-CZ 4.1Å; L358-F448 HydrophobicContact CD2-CD1 4.07Å; L358-F448 HydrophobicContact CD2-CE1 4.28Å; L358-F448 HydrophobicContact CD2-CG 4.5Å; L358-F448 HydrophobicContact CG-CE1 4.32Å
359V93.5Very high86.4Confident2 Ų237 Ų371%0.01219%0.192CC..  trans-67.3123174.8178.20000109L361 Y375 M378 L436 K444 I445V359-L361 PolarHBondContact O-N 3.37Å; V359-Y375 HydrophobicContact CB-CD1 4.41Å; V359-Y375 HydrophobicContact CG1-CD1 3.59Å; V359-Y375 HydrophobicContact CG1-CE1 4.44Å; V359-Y375 HydrophobicContact CG1-CG 3.95Å; V359-M378 HydrophobicContact CB-CE 4.3Å; V359-M378 HydrophobicContact CG1-CE 3.8Å; V359-M378 HydrophobicContact CG2-CE 4.17Å; V359-L436 HydrophobicContact CG1-CD1 4.47Å; V359-L436 HydrophobicContact CG2-CB 4.16Å; V359-L436 HydrophobicContact CG2-CD1 3.78Å; V359-L436 HydrophobicContact CG2-CG 4.49Å; V359-K444 HydrophobicContact CG2-CB 3.67Å; V359-I445 PolarHBondContact N-O 2.81Å
360P90Very high86.9Confident40 Ų4036 Ų3626%0.2618%0.183SC..  trans-65.6119.3-179.6-22.134.3000112L358 L362 Y375 E376L358-P360 WeakPolarHBondContact O-CD 3.46Å; P360-L362 PolarHBondContact O-N 3.35Å; P360-Y375 WeakPolarHBondContact O-CA 3.28Å; P360-E376 PolarHBondContact O-N 3.12Å
361L90.6Very high87.2Confident22 Ų2236.8 Ų36.812%0.11519%0.186CC..EExtended strand (participates in β ladder)trans-76.7110167.9-176.266.1000108.9F284 M347 V359 G363 L373 Y375F284-L361 HydrophobicContact CD2-CD2 4.22Å; F284-L361 HydrophobicContact CD2-CG 4.1Å; F284-L361 HydrophobicContact CE2-CD2 3.51Å; F284-L361 HydrophobicContact CE2-CG 3.79Å; F284-L361 HydrophobicContact CZ-CD2 4.27Å; M347-L361 HydrophobicContact SD-CD2 4.26Å; V359-L361 PolarHBondContact O-N 3.37Å; L361-G363 WeakPolarHBondContact CD1-O 3.43Å; L361-L373 HydrophobicContact CD1-CB 4.08Å; L361-Y375 HydrophobicContact CB-CD1 4.3Å; L361-Y375 HydrophobicContact CB-CE1 4.04Å; L361-Y375 HydrophobicContact CD1-CD1 4.01Å; L361-Y375 HydrophobicContact CD1-CE1 3.55Å; L361-Y375 HydrophobicContact CD1-CE2 4.36Å; L361-Y375 HydrophobicContact CG-CE1 4.38Å
362L89.4Confident87.7Confident31 Ų3136.6 Ų36.616%0.16218%0.184CC..EExtended strand (participates in β ladder)trans-74.5-37.1179-58.2179.5000111.1M283 F284 P360 M374 E376M283-L362 WeakPolarHBondContact CA-O 3.02Å; M283-L362 HydrophobicContact CE-CB 3.94Å; M283-L362 WeakPolarHBondContact CE-O 3.15Å; F284-L362 PolarHBondContact N-O 3.25Å; P360-L362 PolarHBondContact O-N 3.35Å; L362-M374 HydrophobicContact CB-CB 4.46Å; L362-M374 WeakPolarHBondContact CB-O 3.46Å; L362-M374 PolarHBondContact N-O 3.06Å; L362-E376 HydrophobicContact CD2-CB 4.4Å
363G90.5Very high88.4Confident0 Ų032.5 Ų32.50%016%0.155CC..EExtended strand (participates in β ladder)trans173-174.2-176.200000113.1F282 L361 M374F282-G363 CarbonylContact O-C 3.58Å; F282-G363 WeakPolarHBondContact O-CA 3.46Å; L361-G363 WeakPolarHBondContact CD1-O 3.43Å; G363-M374 PolarHBondContact N-O 2.92Å; G363-M374 PolarHBondContact O-N 3.26Å
364Y91.6Very high89Confident2 Ų231.6 Ų31.61%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-147.1162.9176.771-88.5000111.7F282 F284 F343 D344 M347 V366 L372F282-Y364 HydrophobicContact CB-CD1 3.95Å; F282-Y364 HydrophobicContact CB-CE1 3.5Å; F282-Y364 HydrophobicContact CB-CE2 4.18Å; F282-Y364 HydrophobicContact CB-CG 4.45Å; F282-Y364 HydrophobicContact CD2-CD2 4.29Å; F282-Y364 HydrophobicContact CD2-CE1 4.3Å; F282-Y364 AromaticContact CD2-CE2 3.51Å; F282-Y364 HydrophobicContact CD2-CE2 3.51Å; F282-Y364 AromaticContact CD2-CZ 3.51Å; F282-Y364 WeakPolarHBondContact CD2-OH 3.01Å; F282-Y364 HydrophobicContact CE2-CE2 4.18Å; F282-Y364 HydrophobicContact CG-CE1 4.02Å; F282-Y364 HydrophobicContact CG-CE2 4.08Å; F282-Y364 AromaticContact CG-CZ 3.61Å; F282-Y364 WeakPolarHBondContact CG-OH 3.39Å; F282-Y364 PolarHBondContact N-O 3.42Å; F282-Y364 PolarHBondContact O-N 2.73Å; F284-Y364 HydrophobicContact CE2-CD1 4.01Å; F284-Y364 AromaticContact CZ-CD1 3.8Å; F284-Y364 HydrophobicContact CZ-CD1 3.8Å; F284-Y364 AromaticContact CZ-CE1 3.89Å; F284-Y364 HydrophobicContact CZ-CE1 3.89Å; F343-Y364 HydrophobicContact CD1-CD2 4.28Å; F343-Y364 HydrophobicContact CD1-CE2 4.3Å; F343-Y364 AromaticContact CE1-CD2 3.61Å; F343-Y364 HydrophobicContact CE1-CD2 3.61Å; F343-Y364 HydrophobicContact CE1-CE2 4.08Å; F343-Y364 HydrophobicContact CE1-CG 4.27Å; D344-Y364 PolarHBondContact OD1-OH 3.46Å; M347-Y364 HydrophobicContact CB-CD1 3.58Å; M347-Y364 HydrophobicContact CB-CE1 3.42Å; M347-Y364 VanDerWaalsContact CB-CE1 3.42Å; M347-Y364 HydrophobicContact CB-CE2 4.4Å; M347-Y364 HydrophobicContact CB-CG 4.14Å; M347-Y364 HydrophobicContact CG-CD1 3.73Å; M347-Y364 HydrophobicContact CG-CD2 4.05Å; M347-Y364 HydrophobicContact CG-CE1 3.98Å; M347-Y364 HydrophobicContact CG-CE2 4.27Å; M347-Y364 HydrophobicContact CG-CG 3.77Å; M347-Y364 HydrophobicContact SD-CD1 4.07Å; M347-Y364 HydrophobicContact SD-CG 4.02Å; Y364-V366 HydrophobicContact CD2-CG2 4.07Å; Y364-V366 HydrophobicContact CE2-CG2 4.01Å; Y364-L372 CarbonylContact C-O 3.48Å; Y364-L372 WeakPolarHBondContact CA-O 3.18Å; Y364-L372 WeakPolarHBondContact CB-O 3.09Å
365C89.5Confident89.5Confident0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-136.3134.3178.3174.20000110V279 V281 L296 L372V279-C365 WeakPolarHBondContact CG1-SG 3.34Å; V281-C365 HydrophobicContact CG2-CB 4.15Å; L296-C365 HydrophobicContact CD1-CB 4.31Å; C365-L372 HydrophobicContact CB-CB 4.21Å; C365-L372 PolarHBondContact N-O 3.12Å; C365-L372 PolarHBondContact O-N 3.41Å
366V87.2Confident89.6Confident12 Ų1227.7 Ų27.77%0.07313%0.132CC..EExtended strand (participates in β ladder)trans-114.1115174.4178.80000108.7V279 E340 F343 Y364 R371V279-V366 WeakPolarHBondContact CG1-O 3.32Å; E340-V366 HydrophobicContact CB-CG1 4.48Å; E340-V366 HydrophobicContact CG-CB 4.46Å; E340-V366 HydrophobicContact CG-CG1 3.89Å; F343-V366 HydrophobicContact CD1-CG2 3.56Å; F343-V366 HydrophobicContact CE1-CG2 3.67Å; Y364-V366 HydrophobicContact CD2-CG2 4.07Å; Y364-V366 HydrophobicContact CE2-CG2 4.01Å; V366-R371 VanDerWaalsContact CG1-NH1 3.33Å
367A83.5Confident89.8Confident1 Ų126.9 Ų26.91%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-131.8103.3-179.400000109.9L273 V279 L293 K369 E370L273-A367 HydrophobicContact CD1-CB 4.29Å; L273-A367 HydrophobicContact CD2-CB 3.84Å; V279-A367 HydrophobicContact CG1-CB 3.95Å; V279-A367 HydrophobicContact CG2-CB 4.13Å; L293-A367 HydrophobicContact CD2-CB 4.15Å; A367-K369 PolarHBondContact O-N 3.09Å; A367-K369 VanDerWaalsContact O-N 3.15Å; A367-E370 PolarHBondContact N-O 3.48Å; A367-E370 WeakPolarHBondContact O-CB 3.05Å; A367-E370 PolarHBondContact O-N 2.81Å
368N79.1Confident89.8Confident104 Ų10426.8 Ų26.856%0.55613%0.129SC*.THydrogen-bonded Turntrans56.1-115.3-171.2-61.1-28.9000111.6Q276 R371Q276-N368 PolarHBondContact NE2-OD1 2.74Å; Q276-N368 PolarHBondContact OE1-ND2 3.18Å; Q276-N368 VanDerWaalsContact OE1-ND2 3.14Å; N368-R371 PolarHBondContact O-NH1 3.09Å
369K79.2Confident89.9Confident126 Ų12629 Ų2955%0.54815%0.148SC..THydrogen-bonded Turntrans-88.4-14.5175.4-63.3-171.9174-164.60113A367 R371A367-K369 PolarHBondContact O-N 3.09Å; A367-K369 VanDerWaalsContact O-N 3.15Å; K369-R371 PolarHBondContact O-NH1 3.29Å
370E86.6Confident90Very high28 Ų2830.9 Ų30.913%0.13116%0.158CC..EExtended strand (participates in β ladder)trans-79138.6-176.7-58.5-63.4158.400110.3W269 L273 R332 A367W269-E370 HydrophobicContact CE3-CG 3.9Å; W269-E370 HydrophobicContact CZ3-CG 4.26Å; L273-E370 HydrophobicContact CD1-CB 4.39Å; L273-E370 HydrophobicContact CD1-CG 4.26Å; L273-E370 HydrophobicContact CD2-CB 4.49Å; L273-E370 HydrophobicContact CD2-CG 4.08Å; R332-E370 IonicContact CZ-OE1 2.68Å; R332-E370 IonicContact CZ-OE2 3.09Å; R332-E370 IonicContact NE-OE1 3.93Å; R332-E370 IonicContact NE-OE2 2.69Å; R332-E370 PolarHBondContact NE-OE2 3.19Å; R332-E370 IonicContact NH2-OE1 3.23Å; R332-E370 PolarHBondContact NH2-OE1 3.24Å; R332-E370 IonicContact NH2-OE2 2.77Å; R332-E370 PolarHBondContact NH2-OE2 2.93Å; A367-E370 PolarHBondContact N-O 3.48Å; A367-E370 WeakPolarHBondContact O-CB 3.05Å; A367-E370 PolarHBondContact O-N 2.81Å
371R88.2Confident90.2Very high24 Ų2429.8 Ų29.89%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-127.7113.5177.4-58.8-65.9-175.9-86.1-1.5107.4L333 R338 F343 V366 N368 K369L333-R371 HydrophobicContact CB-CB 4.14Å; L333-R371 HydrophobicContact CD1-CB 3.99Å; L333-R371 HydrophobicContact CG-CB 4.36Å; L333-R371 PolarHBondContact N-O 2.92Å; R338-R371 PolarHBondContact O-NH2 3.2Å; F343-R371 HydrophobicContact CD2-CG 4.32Å; F343-R371 HydrophobicContact CE1-CB 4.45Å; F343-R371 HydrophobicContact CE2-CB 4.01Å; F343-R371 HydrophobicContact CE2-CG 4.07Å; F343-R371 HydrophobicContact CZ-CB 3.84Å; F343-R371 HydrophobicContact CZ-CG 4.18Å; V366-R371 VanDerWaalsContact CG1-NH1 3.33Å; N368-R371 PolarHBondContact O-NH1 3.09Å; K369-R371 PolarHBondContact O-NH1 3.29Å
372L92.6Very high90.4Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-112.9129.4-177.3-53.7178.8000109.6W269 L293 F303 I330 K331 R332 Y364 C365W269-L372 HydrophobicContact CH2-CD2 4.01Å; W269-L372 HydrophobicContact CZ3-CD2 4.09Å; L293-L372 HydrophobicContact CD1-CD1 4.1Å; F303-L372 HydrophobicContact CE2-CD1 4.5Å; F303-L372 HydrophobicContact CZ-CD1 3.84Å; I330-L372 HydrophobicContact CG2-CB 4.21Å; K331-L372 CarbonylContact O-C 3.59Å; K331-L372 VanDerWaalsContact O-CA 3.3Å; K331-L372 WeakPolarHBondContact O-CA 3.15Å; R332-L372 HydrophobicContact CB-CD2 3.84Å; R332-L372 HydrophobicContact CG-CD2 3.9Å; Y364-L372 CarbonylContact C-O 3.48Å; Y364-L372 WeakPolarHBondContact CA-O 3.18Å; Y364-L372 WeakPolarHBondContact CB-O 3.09Å; C365-L372 HydrophobicContact CB-CB 4.21Å; C365-L372 PolarHBondContact N-O 3.12Å; C365-L372 PolarHBondContact O-N 3.41Å
373L93Very high90.7Very high0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-109.5140.1173.4-54-173.1000109.6I330 K331 L333 F343 M347 L361 Y375 L450I330-L373 CarbonylContact C-O 3.52Å; I330-L373 VanDerWaalsContact CA-O 3.28Å; I330-L373 WeakPolarHBondContact CA-O 3Å; K331-L373 HydrophobicContact CB-CB 4.25Å; K331-L373 PolarHBondContact N-O 3.36Å; K331-L373 PolarHBondContact O-N 3Å; L333-L373 HydrophobicContact CD1-CD1 4Å; L333-L373 HydrophobicContact CD1-CD2 4.32Å; L333-L373 HydrophobicContact CD1-CG 4Å; L333-L373 HydrophobicContact CD2-CD1 3.92Å; L333-L373 HydrophobicContact CD2-CG 4.26Å; L333-L373 HydrophobicContact CG-CD1 4.24Å; L333-L373 HydrophobicContact CG-CG 4.13Å; F343-L373 HydrophobicContact CZ-CD2 3.89Å; M347-L373 HydrophobicContact CE-CD2 4.05Å; M347-L373 HydrophobicContact SD-CD2 3.35Å; M347-L373 WeakPolarHBondContact SD-CD2 3.33Å; L361-L373 HydrophobicContact CD1-CB 4.08Å; L373-Y375 HydrophobicContact CB-CD2 4.41Å; L373-Y375 HydrophobicContact CB-CE2 3.6Å; L373-Y375 HydrophobicContact CD1-CE2 4.35Å; L373-Y375 VanDerWaalsContact CD1-OH 3.27Å; L373-Y375 WeakPolarHBondContact CD1-OH 3.33Å; L373-L450 HydrophobicContact CD1-CD1 4.23Å; L373-L450 HydrophobicContact CD1-CD2 3.45Å; L373-L450 VanDerWaalsContact CD1-CD2 3.45Å
374M92.9Very high90.8Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-120.2126-175.3-55.4172.6-65.600109.5V281 M283 M291 L296 L328 M329 I330 L362 G363V281-M374 HydrophobicContact CG1-CE 3.41Å; V281-M374 VanDerWaalsContact CG1-CE 3.41Å; V281-M374 HydrophobicContact CG1-SD 4.11Å; M283-M374 HydrophobicContact CE-CE 4.49Å; M283-M374 HydrophobicContact SD-CE 3.47Å; M283-M374 WeakPolarHBondContact SD-CE 3.46Å; M291-M374 HydrophobicContact CE-CE 3.55Å; M291-M374 HydrophobicContact CE-SD 3.2Å; M291-M374 WeakPolarHBondContact CE-SD 3.31Å; M291-M374 HydrophobicContact SD-SD 4.39Å; L296-M374 HydrophobicContact CD1-SD 3.58Å; L296-M374 VanDerWaalsContact CD1-SD 3.58Å; L296-M374 HydrophobicContact CD2-CG 4.34Å; L296-M374 HydrophobicContact CD2-SD 3.41Å; L296-M374 WeakPolarHBondContact CD2-SD 3.44Å; L296-M374 HydrophobicContact CG-SD 4.1Å; L328-M374 HydrophobicContact CD1-CB 4.41Å; M329-M374 CarbonylContact O-C 3.55Å; M329-M374 WeakPolarHBondContact O-CA 3.28Å; I330-M374 HydrophobicContact CG1-CG 4.27Å; L362-M374 HydrophobicContact CB-CB 4.46Å; L362-M374 WeakPolarHBondContact CB-O 3.46Å; L362-M374 PolarHBondContact N-O 3.06Å; G363-M374 PolarHBondContact N-O 2.92Å; G363-M374 PolarHBondContact O-N 3.26Å
375Y93.4Very high90.9Very high11 Ų1133 Ų334%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-123.3155.4-176.7-61-82.2000110.4M317 L328 M329 K331 V359 P360 L361 L373M317-Y375 HydrophobicContact CE-CD2 4.08Å; M317-Y375 HydrophobicContact CE-CE2 4.24Å; M317-Y375 HydrophobicContact SD-CD2 4.5Å; L328-Y375 WeakPolarHBondContact CA-O 3.09Å; L328-Y375 WeakPolarHBondContact CB-O 3.37Å; M329-Y375 PolarHBondContact N-O 3.2Å; M329-Y375 PolarHBondContact O-N 2.98Å; K331-Y375 HydrophobicContact CB-CE2 4.16Å; V359-Y375 HydrophobicContact CB-CD1 4.41Å; V359-Y375 HydrophobicContact CG1-CD1 3.59Å; V359-Y375 HydrophobicContact CG1-CE1 4.44Å; V359-Y375 HydrophobicContact CG1-CG 3.95Å; P360-Y375 WeakPolarHBondContact O-CA 3.28Å; L361-Y375 HydrophobicContact CB-CD1 4.3Å; L361-Y375 HydrophobicContact CB-CE1 4.04Å; L361-Y375 HydrophobicContact CD1-CD1 4.01Å; L361-Y375 HydrophobicContact CD1-CE1 3.55Å; L361-Y375 HydrophobicContact CD1-CE2 4.36Å; L361-Y375 HydrophobicContact CG-CE1 4.38Å; L373-Y375 HydrophobicContact CB-CD2 4.41Å; L373-Y375 HydrophobicContact CB-CE2 3.6Å; L373-Y375 HydrophobicContact CD1-CE2 4.35Å; L373-Y375 VanDerWaalsContact CD1-OH 3.27Å; L373-Y375 WeakPolarHBondContact CD1-OH 3.33Å
376E91.4Very high91Very high91 Ų9134.2 Ų34.243%0.42517%0.174SC..EExtended strand (participates in β ladder)trans-61.9140.3167.6-169.2170.4162.200110.4M329 P360 L362 M378M329-E376 WeakPolarHBondContact CE-O 3.16Å; P360-E376 PolarHBondContact O-N 3.12Å; L362-E376 HydrophobicContact CD2-CB 4.4Å; E376-M378 HydrophobicContact CB-CE 4.41Å
377Y94.9Very high91.3Very high61 Ų6134.6 Ų34.624%0.23918%0.175CC..  trans-70.9136.3-179.3179.8-107000112.3I309 K319 L327 M329I309-Y377 HydrophobicContact CD1-CE2 4.24Å; K319-Y377 HydrophobicContact CD-CE2 3.95Å; K319-Y377 HydrophobicContact CG-CD2 4.43Å; K319-Y377 HydrophobicContact CG-CE2 4.08Å; K319-Y377 PolarHBondContact NZ-OH 3.33Å; L327-Y377 HydrophobicContact CB-CD1 3.73Å; L327-Y377 HydrophobicContact CB-CD2 4.41Å; L327-Y377 HydrophobicContact CB-CG 3.64Å; L327-Y377 HydrophobicContact CD1-CD1 3.57Å; L327-Y377 HydrophobicContact CD1-CE1 3.62Å; L327-Y377 HydrophobicContact CD1-CG 4.24Å; L327-Y377 HydrophobicContact CG-CD1 4.3Å; L327-Y377 WeakPolarHBondContact O-CB 3.23Å; M329-Y377 HydrophobicContact CG-CD2 3.7Å; M329-Y377 HydrophobicContact CG-CE2 4.49Å; M329-Y377 HydrophobicContact SD-CD2 4.28Å
378M96.2Very high91.6Very high4 Ų435.6 Ų35.62%0.0218%0.18CC..  trans-107.1111.6179.9-62.4-62.5166.900108.6M329 V359 E376 N380 G381 L436 L437 T438 K444M329-M378 HydrophobicContact CE-CB 3.87Å; M329-M378 HydrophobicContact CE-CG 3.52Å; V359-M378 HydrophobicContact CB-CE 4.3Å; V359-M378 HydrophobicContact CG1-CE 3.8Å; V359-M378 HydrophobicContact CG2-CE 4.17Å; E376-M378 HydrophobicContact CB-CE 4.41Å; M378-N380 VanDerWaalsContact C-N 3.34Å; M378-N380 PolarHBondContact O-N 2.95Å; M378-G381 PolarHBondContact O-N 2.84Å; M378-L436 HydrophobicContact CB-CB 3.86Å; M378-L436 HydrophobicContact CB-CD1 4.44Å; M378-L436 HydrophobicContact CB-CD2 4.17Å; M378-L436 HydrophobicContact CB-CG 4.39Å; M378-L436 HydrophobicContact CG-CB 3.67Å; M378-L436 HydrophobicContact CG-CD1 3.98Å; M378-L436 HydrophobicContact CG-CG 4.28Å; M378-L437 CarbonylContact C-O 3.54Å; M378-T438 HydrophobicContact SD-CG2 4.17Å; M378-K444 HydrophobicContact CE-CB 4.46Å; M378-K444 HydrophobicContact CE-CD 3.31Å; M378-K444 HydrophobicContact SD-CD 3.68Å
379A94.9Very high91.8Very high51 Ų5132.5 Ų32.542%0.42117%0.165SC..THydrogen-bonded Turntrans-62.8-37.3-166.100000113.6L437 A439A379-L437 PolarHBondContact N-O 3.46Å; A379-A439 HydrophobicContact CB-CB 3.99Å
380N94.3Very high91.7Very high40 Ų4032 Ų3221%0.21419%0.185CC..THydrogen-bonded Turntrans-9612.2-177.7-70.3-32.3000113M378 Q386 L437 T438 A439 F441M378-N380 VanDerWaalsContact C-N 3.34Å; M378-N380 PolarHBondContact O-N 2.95Å; N380-Q386 PolarHBondContact O-NE2 2.57Å; N380-Q386 VanDerWaalsContact O-NE2 3.12Å; N380-L437 HydrophobicContact CB-CB 3.81Å; N380-L437 PolarHBondContact N-O 2.84Å; N380-T438 PolarHBondContact ND2-O 3.47Å; N380-A439 PolarHBondContact ND2-O 3.11Å; N380-F441 HydrophobicContact CB-CE1 4.27Å; N380-F441 HydrophobicContact CB-CZ 4.49Å; N380-F441 VanDerWaalsContact ND2-CE2 3.31Å; N380-F441 WeakPolarHBondContact ND2-CE2 3.45Å; N380-F441 WeakPolarHBondContact ND2-CZ 3.39Å
381G94.2Very high91.2Very high17 Ų1734.8 Ų34.818%0.17520%0.201CC..  trans62.6-148.6173.700000113.4M378 L436 L437M378-G381 PolarHBondContact O-N 2.84Å; G381-L436 CarbonylContact O-C 3.57Å; G381-L436 WeakPolarHBondContact O-CA 3.17Å; G381-L436 WeakPolarHBondContact O-CD2 3.46Å; G381-L437 PolarHBondContact O-N 3.4Å
382Y94.7Very high90.2Very high11 Ų1141.9 Ų41.94%0.04324%0.235CC..BIsolated β-bridgetrans-86.5145.7-177.2-66.3-81.9000111.8I309 A310 Y384 D385 Q386 K433 I435 L436I309-Y382 HydrophobicContact CG2-CD2 4.38Å; I309-Y382 HydrophobicContact CG2-CE2 3.87Å; A310-Y382 HydrophobicContact CB-CD2 4.19Å; A310-Y382 HydrophobicContact CB-CE2 3.42Å; A310-Y382 VanDerWaalsContact CB-CE2 3.42Å; Y382-Y384 PolarHBondContact O-N 3.47Å; Y382-D385 PolarHBondContact O-N 2.98Å; Y382-D385 VanDerWaalsContact O-N 3.12Å; Y382-Q386 PolarHBondContact O-N 3.44Å; Y382-K433 WeakPolarHBondContact CD1-O 3.3Å; Y382-K433 WeakPolarHBondContact CE1-O 3.04Å; Y382-I435 CarbonylContact C-O 3.47Å; Y382-I435 WeakPolarHBondContact CA-O 3.35Å; Y382-L436 HydrophobicContact CD1-CD2 3.45Å; Y382-L436 VanDerWaalsContact CD1-CD2 3.45Å; Y382-L436 HydrophobicContact CD1-CG 3.85Å; Y382-L436 HydrophobicContact CD2-CD2 3.97Å; Y382-L436 HydrophobicContact CE1-CD1 4.25Å; Y382-L436 HydrophobicContact CE1-CD2 3.5Å; Y382-L436 HydrophobicContact CE1-CG 3.74Å; Y382-L436 HydrophobicContact CE2-CD2 3.99Å; Y382-L436 HydrophobicContact CG-CD2 3.72Å
383L96.4Very high89.1Confident0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-55.6-38173174.461.6000111.7D385 Q386 L387 L398 I406 I435 L437 V497 L501L383-D385 VanDerWaalsContact C-N 3.28Å; L383-D385 PolarHBondContact O-N 3.24Å; L383-Q386 PolarHBondContact O-N 3.3Å; L383-Q386 VanDerWaalsContact O-N 3.09Å; L383-L387 HydrophobicContact CD1-CD1 3.91Å; L383-L387 HydrophobicContact CD1-CG 3.91Å; L383-L387 HydrophobicContact CD2-CD1 4.37Å; L383-L387 HydrophobicContact CG-CD1 3.89Å; L383-L387 HydrophobicContact CG-CG 4.29Å; L383-L387 PolarHBondContact O-N 3.12Å; L383-L398 HydrophobicContact CD1-CD1 4.07Å; L383-I406 HydrophobicContact CD1-CD1 4.08Å; L383-I406 HydrophobicContact CD1-CG2 4.1Å; L383-I406 HydrophobicContact CD2-CG2 3.79Å; L383-I435 HydrophobicContact CB-CB 4.02Å; L383-I435 HydrophobicContact CB-CG2 4.11Å; L383-I435 HydrophobicContact CD2-CB 4.33Å; L383-I435 HydrophobicContact CD2-CD1 3.9Å; L383-I435 HydrophobicContact CD2-CG2 4.3Å; L383-I435 PolarHBondContact N-O 3.01Å; L383-L437 HydrophobicContact CB-CD1 4.43Å; L383-L437 HydrophobicContact CD1-CD1 4.34Å; L383-V497 HydrophobicContact CD2-CG1 4Å; L383-L501 HydrophobicContact CD1-CD2 4.04Å; L383-L501 HydrophobicContact CD2-CD2 4.19Å
384Y93.8Very high87.7Confident39 Ų3955.2 Ų55.215%0.15331%0.307CS..Hα-helixtrans-52.8-46.9176.7-176.2-89.4000111.8Y382 Q386 L387 H388 S432 K433Y382-Y384 PolarHBondContact O-N 3.47Å; Y384-Q386 VanDerWaalsContact C-N 3.28Å; Y384-Q386 PolarHBondContact O-N 3.15Å; Y384-L387 PolarHBondContact O-N 3.2Å; Y384-H388 AromaticContact CD2-CD2 3.65Å; Y384-H388 HydrophobicContact CE1-CB 4.3Å; Y384-H388 AromaticContact CE2-CD2 3.59Å; Y384-H388 WeakPolarHBondContact O-CB 3.32Å; Y384-H388 PolarHBondContact O-CD2 2.9Å; Y384-H388 PolarHBondContact O-N 3.22Å; Y384-S432 WeakPolarHBondContact CD2-OG 3.23Å; Y384-S432 PolarHBondContact N-O 3.14Å; Y384-S432 VanDerWaalsContact N-O 3.15Å; Y384-K433 HydrophobicContact CD1-CG 4.31Å; Y384-K433 HydrophobicContact CD2-CD 4.38Å; Y384-K433 HydrophobicContact CD2-CG 3.8Å; Y384-K433 HydrophobicContact CG-CD 4.41Å; Y384-K433 HydrophobicContact CG-CG 3.65Å
385D91.7Very high86.8Confident73 Ų7358.5 Ų58.539%0.3932%0.322SS..Hα-helixtrans-71.2-25.4-178-53.3-37.7000112.2Y382 L383Y382-D385 PolarHBondContact O-N 2.98Å; Y382-D385 VanDerWaalsContact O-N 3.12Å; L383-D385 VanDerWaalsContact C-N 3.28Å; L383-D385 PolarHBondContact O-N 3.24Å
386Q92.7Very high86.3Confident26 Ų2666.2 Ų66.212%0.12136%0.355CS..Hα-helixtrans-80-25.7175.8-58.1-61.8-71.400113.3N380 Y382 L383 Y384 F395 L398 L437N380-Q386 PolarHBondContact O-NE2 2.57Å; N380-Q386 VanDerWaalsContact O-NE2 3.12Å; Y382-Q386 PolarHBondContact O-N 3.44Å; L383-Q386 PolarHBondContact O-N 3.3Å; L383-Q386 VanDerWaalsContact O-N 3.09Å; Y384-Q386 VanDerWaalsContact C-N 3.28Å; Y384-Q386 PolarHBondContact O-N 3.15Å; Q386-F395 HydrophobicContact CB-CZ 4.46Å; Q386-F395 WeakPolarHBondContact O-CE1 3.47Å; Q386-L398 HydrophobicContact CB-CD1 3.83Å; Q386-L398 HydrophobicContact CB-CG 4.27Å; Q386-L437 HydrophobicContact CB-CD1 4.38Å; Q386-L437 HydrophobicContact CG-CD1 3.61Å
387L92.7Very high86Confident19 Ų1965.3 Ų65.310%0.09936%0.358CS..Hα-helixtrans-89.6-32.8175.4-69.1175.7000111.8L383 Y384 P389 L398 E500 L501L383-L387 HydrophobicContact CD1-CD1 3.91Å; L383-L387 HydrophobicContact CD1-CG 3.91Å; L383-L387 HydrophobicContact CD2-CD1 4.37Å; L383-L387 HydrophobicContact CG-CD1 3.89Å; L383-L387 HydrophobicContact CG-CG 4.29Å; L383-L387 PolarHBondContact O-N 3.12Å; Y384-L387 PolarHBondContact O-N 3.2Å; L387-P389 VanDerWaalsContact C-CD 3.47Å; L387-P389 WeakPolarHBondContact O-CD 3.4Å; L387-L398 HydrophobicContact CD2-CD1 4.19Å; L387-E500 HydrophobicContact CD1-CB 4Å; L387-L501 HydrophobicContact CD1-CD2 4.15Å; L387-L501 HydrophobicContact CD1-CG 4.47Å; L387-L501 HydrophobicContact CD2-CD2 4.34Å
388H90Very high85.9Confident23 Ų2363 Ų6311%0.10635%0.349CS..SBendtrans-12764-171.5-51.6-54.8000111Y384 E500 G504 Q505 K506Y384-H388 AromaticContact CD2-CD2 3.65Å; Y384-H388 HydrophobicContact CE1-CB 4.3Å; Y384-H388 AromaticContact CE2-CD2 3.59Å; Y384-H388 WeakPolarHBondContact O-CB 3.32Å; Y384-H388 PolarHBondContact O-CD2 2.9Å; Y384-H388 PolarHBondContact O-N 3.22Å; H388-E500 IonicContact CD2-OE1 2.8Å; H388-E500 IonicContact NE2-OE1 3.64Å; H388-E500 PolarHBondContact NE2-OE1 2.89Å; H388-G504 PolarHBondContact CE1-O 3.21Å; H388-Q505 PolarHBondContact CE1-O 3.02Å; H388-Q505 VanDerWaalsContact CE1-O 3.3Å; H388-K506 HydrophobicContact CB-CG 4.45Å; H388-K506 PolarHBondContact CE1-N 3.12Å; H388-K506 WeakPolarHBondContact ND1-CG 3.48Å
389P84Confident85.8Confident38 Ų3866.6 Ų66.625%0.24737%0.369CS..  trans-61.6143.8-177.927.9-35.3000111L387 D391 F395L387-P389 VanDerWaalsContact C-CD 3.47Å; L387-P389 WeakPolarHBondContact O-CD 3.4Å; P389-D391 VanDerWaalsContact C-N 3.25Å; P389-D391 PolarHBondContact O-N 2.96Å; P389-F395 HydrophobicContact CB-CB 3.75Å; P389-F395 HydrophobicContact CB-CD1 4.02Å; P389-F395 HydrophobicContact CB-CD2 4.27Å; P389-F395 HydrophobicContact CB-CG 3.74Å; P389-F395 HydrophobicContact CG-CB 3.89Å; P389-F395 HydrophobicContact CG-CD1 3.93Å; P389-F395 HydrophobicContact CG-CG 4.02Å
390A77.6Confident85.8Confident117 Ų11764.6 Ų64.697%0.96735%0.35SS*.SBendtrans-70.6-24.617700000112.9
391D75.1Confident85.8Confident86 Ų8664.7 Ų64.746%0.4635%0.353SS..  trans-123.3105.4176.8177.618.4000108.6P389 E393 S394P389-D391 VanDerWaalsContact C-N 3.25Å; P389-D391 PolarHBondContact O-N 2.96Å; D391-E393 VanDerWaalsContact C-N 3.31Å; D391-E393 PolarHBondContact OD1-N 3.23Å; D391-S394 PolarHBondContact OD2-OG 2.68Å
392E68Low85.8Confident173 Ų17365.3 Ų65.381%0.80835%0.354SS*.SBendtrans-71.6-24.8-176.5-67.8-177.8-178.400112.4
393E68.4Low85.9Confident189 Ų18965 Ų6588%0.88335%0.353SS*.SBendtrans-75-29.5-173-67-172.717600113D391D391-E393 VanDerWaalsContact C-N 3.31Å; D391-E393 PolarHBondContact OD1-N 3.23Å
394S65.2Low86Confident91 Ų9165 Ų6564%0.63635%0.354SS*.SBendtrans-99.6-6.5-173.461.30000114.4D391D391-S394 PolarHBondContact OD2-OG 2.68Å
395F73.5Confident86.1Confident68 Ų6865.2 Ų65.230%0.29836%0.355SS..  trans-107.3126.7-168.7-157-95.8000113.2Q386 P389 P397Q386-F395 HydrophobicContact CB-CZ 4.46Å; Q386-F395 WeakPolarHBondContact O-CE1 3.47Å; P389-F395 HydrophobicContact CB-CB 3.75Å; P389-F395 HydrophobicContact CB-CD1 4.02Å; P389-F395 HydrophobicContact CB-CD2 4.27Å; P389-F395 HydrophobicContact CB-CG 3.74Å; P389-F395 HydrophobicContact CG-CB 3.89Å; P389-F395 HydrophobicContact CG-CD1 3.93Å; P389-F395 HydrophobicContact CG-CG 4.02Å; F395-P397 WeakPolarHBondContact O-CD 3.27Å
396K82.4Confident86.4Confident173 Ų17361.8 Ų61.875%0.75234%0.337SS*.PPolyproline II helixtrans-80.5120172.6-173.7-174.9178.2-172.30109.2
397P84.9Confident86.7Confident73 Ų7360.6 Ų60.647%0.47433%0.332SS..PPolyproline II helixtrans-58.1146.3176.4-23.733.8000112.1F395 D399F395-P397 WeakPolarHBondContact O-CD 3.27Å; P397-D399 PolarHBondContact O-N 2.88Å
398L92.6Very high86.9Confident13 Ų1360.3 Ų60.37%0.06833%0.33CS..PPolyproline II helixtrans-60.7129.7172.5-72.5175.8000110.3L383 Q386 L387 R403 I406 F441L383-L398 HydrophobicContact CD1-CD1 4.07Å; Q386-L398 HydrophobicContact CB-CD1 3.83Å; Q386-L398 HydrophobicContact CB-CG 4.27Å; L387-L398 HydrophobicContact CD2-CD1 4.19Å; L398-R403 HydrophobicContact CB-CG 3.83Å; L398-R403 PolarHBondContact O-NE 2.96Å; L398-R403 PolarHBondContact O-NH2 3.33Å; L398-I406 HydrophobicContact CD1-CD1 4.06Å; L398-F441 HydrophobicContact CD2-CD1 3.82Å; L398-F441 HydrophobicContact CD2-CE1 3.6Å; L398-F441 HydrophobicContact CD2-CZ 4.45Å
399D93.7Very high87.2Confident79 Ų7959.6 Ų59.642%0.42233%0.328SS..PPolyproline II helixtrans-73.1160.7173.665.92.7000111.7P397 S402 R403P397-D399 PolarHBondContact O-N 2.88Å; D399-S402 PolarHBondContact O-N 3.09Å; D399-S402 WeakPolarHBondContact OD1-CB 3.49Å; D399-S402 PolarHBondContact OD1-N 2.74Å; D399-S402 VanDerWaalsContact OD1-N 3.08Å; D399-S402 PolarHBondContact OD1-OG 3.13Å; D399-R403 WeakPolarHBondContact O-CG 3.38Å; D399-R403 PolarHBondContact O-N 2.99Å
400W95.5Very high87.8Confident8 Ų857.8 Ų57.83%0.0332%0.317CS..Hα-helixtrans-57.7-44.9-177.1176-114.9000114S402 R403 L404 V502 L548 V553 E556 I557 V560W400-S402 VanDerWaalsContact C-N 3.28Å; W400-S402 PolarHBondContact O-N 3.19Å; W400-R403 HydrophobicContact CE3-CB 4.1Å; W400-R403 HydrophobicContact CZ3-CB 4.4Å; W400-R403 PolarHBondContact O-N 3.44Å; W400-R403 VanDerWaalsContact O-N 3.09Å; W400-L404 HydrophobicContact CZ2-CB 4.24Å; W400-L404 HydrophobicContact CZ2-CD1 4.21Å; W400-L404 HydrophobicContact CZ2-CD2 4.34Å; W400-L404 HydrophobicContact CZ2-CG 4.5Å; W400-L404 WeakPolarHBondContact O-CB 3.45Å; W400-L404 PolarHBondContact O-N 3.23Å; W400-V502 HydrophobicContact CH2-CG2 4.43Å; W400-V502 HydrophobicContact CZ3-CG2 4.37Å; W400-L548 HydrophobicContact CB-CD2 4.18Å; W400-L548 HydrophobicContact CE3-CD1 4.03Å; W400-V553 HydrophobicContact CB-CG2 3.97Å; W400-V553 HydrophobicContact CG-CB 4.2Å; W400-V553 HydrophobicContact CG-CG2 3.94Å; W400-E556 HydrophobicContact CZ2-CB 4.27Å; W400-E556 PolarHBondContact NE1-OE2 3.41Å; W400-I557 HydrophobicContact CD2-CD1 4.21Å; W400-I557 HydrophobicContact CD2-CG1 3.5Å; W400-I557 HydrophobicContact CE3-CD1 4.34Å; W400-I557 HydrophobicContact CE3-CG1 3.67Å; W400-I557 HydrophobicContact CG-CD1 4.38Å; W400-I557 HydrophobicContact CG-CG1 4.07Å; W400-I557 HydrophobicContact CH2-CB 4.26Å; W400-I557 HydrophobicContact CH2-CG1 3.93Å; W400-I557 HydrophobicContact CH2-CG2 4.49Å; W400-I557 HydrophobicContact CZ2-CB 4.29Å; W400-I557 HydrophobicContact CZ2-CG1 3.78Å; W400-I557 HydrophobicContact CZ3-CB 4.48Å; W400-I557 HydrophobicContact CZ3-CG1 3.88Å; W400-I557 HydrophobicContact CZ3-CG2 4.45Å; W400-V560 HydrophobicContact CH2-CB 3.8Å; W400-V560 HydrophobicContact CH2-CG1 4.11Å; W400-V560 HydrophobicContact CH2-CG2 3.63Å; W400-V560 HydrophobicContact CZ2-CB 4.3Å; W400-V560 HydrophobicContact CZ2-CG2 3.71Å
401P94.8Very high88.8Confident43 Ų4352.2 Ų52.228%0.27927%0.271SS..Hα-helixtrans-57.5-40.4177.6-25.535.8000112.6K405 Y593P401-K405 VanDerWaalsContact O-CB 3.24Å; P401-K405 WeakPolarHBondContact O-CB 3.39Å; P401-K405 PolarHBondContact O-N 3.42Å; P401-Y593 HydrophobicContact CB-CD1 4.02Å; P401-Y593 HydrophobicContact CB-CE1 3.75Å; P401-Y593 HydrophobicContact CG-CD1 4.34Å; P401-Y593 HydrophobicContact CG-CE1 3.61Å
402S95.1Very high89.7Confident29 Ų2948.6 Ų48.620%0.20325%0.251CS..Hα-helixtrans-66-43.8175-590000111.7D399 W400 L404 K405 I406D399-S402 PolarHBondContact O-N 3.09Å; D399-S402 WeakPolarHBondContact OD1-CB 3.49Å; D399-S402 PolarHBondContact OD1-N 2.74Å; D399-S402 VanDerWaalsContact OD1-N 3.08Å; D399-S402 PolarHBondContact OD1-OG 3.13Å; W400-S402 VanDerWaalsContact C-N 3.28Å; W400-S402 PolarHBondContact O-N 3.19Å; S402-L404 PolarHBondContact O-N 2.97Å; S402-K405 WeakPolarHBondContact O-CB 3.38Å; S402-K405 PolarHBondContact O-N 3.07Å; S402-I406 WeakPolarHBondContact O-CB 3.29Å; S402-I406 WeakPolarHBondContact O-CD1 3.49Å; S402-I406 WeakPolarHBondContact O-CG1 3.45Å; S402-I406 PolarHBondContact O-N 3.46Å
403R96.8Very high90.9Very high5 Ų540.4 Ų40.42%0.01921%0.212CC..Hα-helixtrans-61.5-43.2177.3-64.6-167.7-159.2-164.21.4112L398 D399 W400 I406 A407 L501 D545L398-R403 HydrophobicContact CB-CG 3.83Å; L398-R403 PolarHBondContact O-NE 2.96Å; L398-R403 PolarHBondContact O-NH2 3.33Å; D399-R403 WeakPolarHBondContact O-CG 3.38Å; D399-R403 PolarHBondContact O-N 2.99Å; W400-R403 HydrophobicContact CE3-CB 4.1Å; W400-R403 HydrophobicContact CZ3-CB 4.4Å; W400-R403 PolarHBondContact O-N 3.44Å; W400-R403 VanDerWaalsContact O-N 3.09Å; R403-I406 PolarHBondContact O-N 2.85Å; R403-A407 PolarHBondContact O-N 3.3Å; R403-L501 HydrophobicContact CB-CD2 3.95Å; R403-L501 WeakPolarHBondContact CD-O 3.35Å; R403-L501 HydrophobicContact CG-CD2 4.11Å; R403-L501 PolarHBondContact NH1-O 3.44Å; R403-D545 IonicContact CZ-OD2 2.98Å; R403-D545 VanDerWaalsContact CZ-OD2 3.22Å; R403-D545 IonicContact NH1-OD2 3.32Å; R403-D545 PolarHBondContact NH1-OD2 2.91Å; R403-D545 IonicContact NH2-OD2 3.81Å; R403-D545 PolarHBondContact NH2-OD2 3.38Å
404L97Very high92.1Very high1 Ų131.4 Ų31.41%0.00517%0.17CC..Hα-helixtrans-67.9-41.1178.2-176.357.7000112W400 S402 I406 A407 I408 V560 I589 Y593 F595W400-L404 HydrophobicContact CZ2-CB 4.24Å; W400-L404 HydrophobicContact CZ2-CD1 4.21Å; W400-L404 HydrophobicContact CZ2-CD2 4.34Å; W400-L404 HydrophobicContact CZ2-CG 4.5Å; W400-L404 WeakPolarHBondContact O-CB 3.45Å; W400-L404 PolarHBondContact O-N 3.23Å; S402-L404 PolarHBondContact O-N 2.97Å; L404-I406 VanDerWaalsContact C-N 3.32Å; L404-I406 PolarHBondContact O-N 3.36Å; L404-A407 WeakPolarHBondContact O-CB 3.09Å; L404-A407 PolarHBondContact O-N 3.45Å; L404-I408 HydrophobicContact CD1-CD1 4Å; L404-I408 HydrophobicContact CD1-CG1 4.24Å; L404-I408 HydrophobicContact CG-CD1 3.86Å; L404-I408 VanDerWaalsContact O-CG1 3.32Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.1Å; L404-V560 HydrophobicContact CD1-CG2 3.89Å; L404-I589 HydrophobicContact CD2-CG2 4.46Å; L404-Y593 HydrophobicContact CD2-CD2 3.86Å; L404-Y593 HydrophobicContact CD2-CE2 3.64Å; L404-F595 HydrophobicContact CD2-CE2 4.3Å; L404-F595 HydrophobicContact CG-CE2 4.1Å
405K96.6Very high93.4Very high43 Ų4327 Ų2719%0.18714%0.14CC..Hα-helixtrans-56.9-45.9172.6-175.8-177.4178.4-175.10111.6P401 S402 I408 G409 E440 E442 F595P401-K405 VanDerWaalsContact O-CB 3.24Å; P401-K405 WeakPolarHBondContact O-CB 3.39Å; P401-K405 PolarHBondContact O-N 3.42Å; S402-K405 WeakPolarHBondContact O-CB 3.38Å; S402-K405 PolarHBondContact O-N 3.07Å; K405-I408 PolarHBondContact O-N 2.98Å; K405-G409 PolarHBondContact O-N 3.2Å; K405-E440 PolarHBondContact NZ-O 3.2Å; K405-E442 WeakPolarHBondContact CE-OE1 3.39Å; K405-E442 VanDerWaalsContact CE-OE2 3.31Å; K405-E442 WeakPolarHBondContact CE-OE2 3.49Å; K405-E442 VanDerWaalsContact NZ-CD 3.32Å; K405-E442 IonicContact NZ-OE1 3.82Å; K405-E442 PolarHBondContact NZ-OE1 3.08Å; K405-E442 IonicContact NZ-OE2 3.9Å; K405-F595 HydrophobicContact CB-CD1 4.21Å; K405-F595 HydrophobicContact CB-CE1 3.7Å; K405-F595 HydrophobicContact CB-CE2 4.36Å; K405-F595 HydrophobicContact CB-CZ 3.77Å; K405-F595 HydrophobicContact CD-CD1 4.41Å; K405-F595 HydrophobicContact CD-CE1 4.25Å; K405-F595 HydrophobicContact CG-CD1 4.06Å; K405-F595 HydrophobicContact CG-CE1 3.99Å
406I97.9Very high94.1Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-62.4-45.1177.2-70.1164.6000111L383 L398 S402 R403 L404 T410 I435 L437 P443 L501L383-I406 HydrophobicContact CD1-CD1 4.08Å; L383-I406 HydrophobicContact CD1-CG2 4.1Å; L383-I406 HydrophobicContact CD2-CG2 3.79Å; L398-I406 HydrophobicContact CD1-CD1 4.06Å; S402-I406 WeakPolarHBondContact O-CB 3.29Å; S402-I406 WeakPolarHBondContact O-CD1 3.49Å; S402-I406 WeakPolarHBondContact O-CG1 3.45Å; S402-I406 PolarHBondContact O-N 3.46Å; R403-I406 PolarHBondContact O-N 2.85Å; L404-I406 VanDerWaalsContact C-N 3.32Å; L404-I406 PolarHBondContact O-N 3.36Å; I406-T410 VanDerWaalsContact O-CB 3.28Å; I406-T410 WeakPolarHBondContact O-CB 3.15Å; I406-T410 PolarHBondContact O-N 3.02Å; I406-T410 PolarHBondContact O-OG1 3.39Å; I406-I435 HydrophobicContact CG2-CG2 4.49Å; I406-L437 HydrophobicContact CD1-CD1 4.17Å; I406-L437 HydrophobicContact CD1-CD2 3.72Å; I406-L437 HydrophobicContact CG1-CD2 3.72Å; I406-L437 HydrophobicContact CG2-CD2 4.47Å; I406-P443 HydrophobicContact CG2-CB 4.23Å; I406-L501 HydrophobicContact CG2-CD1 4.4Å; I406-L501 HydrophobicContact CG2-CD2 4.31Å
407A98.1Very high94.4Very high2 Ų218.2 Ų18.22%0.01710%0.1CC..Hα-helixtrans-58.2-51.6176.100000111.7R403 L404 T410 A411 F494 L498 L501 L586R403-A407 PolarHBondContact O-N 3.3Å; L404-A407 WeakPolarHBondContact O-CB 3.09Å; L404-A407 PolarHBondContact O-N 3.45Å; A407-T410 PolarHBondContact O-N 3.39Å; A407-A411 WeakPolarHBondContact O-CB 3.43Å; A407-A411 PolarHBondContact O-N 3.1Å; A407-F494 WeakPolarHBondContact O-CZ 3.4Å; A407-L498 HydrophobicContact CB-CD2 3.63Å; A407-L501 HydrophobicContact CB-CD1 3.92Å; A407-L586 HydrophobicContact CB-CD1 4.2Å
408I97Very high94.3Very high13 Ų1315.3 Ų15.37%0.0678%0.08CC..Hα-helixtrans-62.8-49.2-177.9-69.2166.1000111L404 K405 T410 A411 K412 Y583 L586 F595L404-I408 HydrophobicContact CD1-CD1 4Å; L404-I408 HydrophobicContact CD1-CG1 4.24Å; L404-I408 HydrophobicContact CG-CD1 3.86Å; L404-I408 VanDerWaalsContact O-CG1 3.32Å; L404-I408 WeakPolarHBondContact O-CG1 3.31Å; L404-I408 PolarHBondContact O-N 3.1Å; K405-I408 PolarHBondContact O-N 2.98Å; I408-T410 PolarHBondContact O-N 2.89Å; I408-A411 PolarHBondContact O-N 3.04Å; I408-K412 WeakPolarHBondContact O-CB 2.85Å; I408-K412 PolarHBondContact O-N 3.45Å; I408-Y583 HydrophobicContact CG2-CD2 4.3Å; I408-Y583 HydrophobicContact CG2-CE2 3.93Å; I408-L586 WeakPolarHBondContact CD1-O 3.37Å; I408-L586 HydrophobicContact CG1-CB 3.76Å; I408-F595 HydrophobicContact CD1-CD2 3.51Å; I408-F595 HydrophobicContact CD1-CE2 3.71Å
409G96.3Very high93.8Very high7 Ų719 Ų197%0.07210%0.097CC..Hα-helixtrans-65.7-37.3-178.700000112.7N357 K405 K412 G413N357-G409 VanDerWaalsContact CB-O 3.28Å; N357-G409 WeakPolarHBondContact CB-O 3.35Å; N357-G409 PolarHBondContact ND2-O 3.07Å; N357-G409 PolarHBondContact OD1-O 2.74Å; K405-G409 PolarHBondContact O-N 3.2Å; G409-K412 WeakPolarHBondContact O-CB 3.27Å; G409-K412 PolarHBondContact O-N 2.87Å; G409-G413 PolarHBondContact O-N 3.32Å
410T97.9Very high93Very high0 Ų017.7 Ų17.70%09%0.094CC..Hα-helixtrans-66.8-45.4174.4-54.60000111.2I406 A407 I408 K412 G413 L414 I435 P443 I445 F494I406-T410 VanDerWaalsContact O-CB 3.28Å; I406-T410 WeakPolarHBondContact O-CB 3.15Å; I406-T410 PolarHBondContact O-N 3.02Å; I406-T410 PolarHBondContact O-OG1 3.39Å; A407-T410 PolarHBondContact O-N 3.39Å; I408-T410 PolarHBondContact O-N 2.89Å; T410-K412 VanDerWaalsContact C-N 3.29Å; T410-K412 PolarHBondContact O-N 3.02Å; T410-G413 PolarHBondContact O-N 3.28Å; T410-L414 HydrophobicContact CG2-CD1 4.29Å; T410-L414 PolarHBondContact O-N 3.48Å; T410-I435 HydrophobicContact CG2-CD1 3.65Å; T410-I435 HydrophobicContact CG2-CG1 4.01Å; T410-P443 WeakPolarHBondContact OG1-CB 3.4Å; T410-I445 HydrophobicContact CG2-CD1 4.28Å; T410-I445 HydrophobicContact CG2-CG1 4.07Å; T410-F494 HydrophobicContact CG2-CD2 3.86Å; T410-F494 HydrophobicContact CG2-CE2 3.47Å; T410-F494 VanDerWaalsContact CG2-CE2 3.47Å; T410-F494 HydrophobicContact CG2-CZ 4.48Å
411A97.3Very high91.8Very high0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-59.7-41.4176.700000111.7A407 I408 L414 A415 F494 M579 V582 L586A407-A411 WeakPolarHBondContact O-CB 3.43Å; A407-A411 PolarHBondContact O-N 3.1Å; I408-A411 PolarHBondContact O-N 3.04Å; A411-L414 PolarHBondContact O-N 2.97Å; A411-A415 VanDerWaalsContact O-CB 3.27Å; A411-A415 WeakPolarHBondContact O-CB 3.33Å; A411-A415 PolarHBondContact O-N 3.45Å; A411-F494 HydrophobicContact CB-CE1 3.78Å; A411-F494 HydrophobicContact CB-CZ 3.77Å; A411-M579 HydrophobicContact CB-CE 4.05Å; A411-V582 HydrophobicContact CB-CG1 4.41Å; A411-L586 HydrophobicContact CB-CD1 3.83Å
412K94.7Very high90.4Very high11 Ų1123.7 Ų23.75%0.04813%0.125CC..Hα-helixtrans-58.8-48.8174.5-173.9172.2178.8158.30112.2I408 G409 T410 L414 A415 W416 Y583 D599 I601I408-K412 WeakPolarHBondContact O-CB 2.85Å; I408-K412 PolarHBondContact O-N 3.45Å; G409-K412 WeakPolarHBondContact O-CB 3.27Å; G409-K412 PolarHBondContact O-N 2.87Å; T410-K412 VanDerWaalsContact C-N 3.29Å; T410-K412 PolarHBondContact O-N 3.02Å; K412-L414 PolarHBondContact O-N 3.21Å; K412-A415 PolarHBondContact O-N 3.34Å; K412-W416 WeakPolarHBondContact O-CB 2.81Å; K412-W416 PolarHBondContact O-N 3.27Å; K412-Y583 HydrophobicContact CB-CD2 3.65Å; K412-Y583 HydrophobicContact CB-CE2 3.57Å; K412-Y583 HydrophobicContact CB-CG 4.39Å; K412-Y583 HydrophobicContact CD-CE2 3.95Å; K412-Y583 HydrophobicContact CG-CD2 4.33Å; K412-Y583 HydrophobicContact CG-CE2 3.88Å; K412-D599 WeakPolarHBondContact CE-O 3.43Å; K412-D599 PolarHBondContact NZ-O 2.73Å; K412-I601 HydrophobicContact CG-CD1 4.49Å
413G93.7Very high89.1Confident0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-61.4-42.6178.100000112.7G409 T410 W416 L417G409-G413 PolarHBondContact O-N 3.32Å; T410-G413 PolarHBondContact O-N 3.28Å; G413-W416 PolarHBondContact O-N 3.24Å; G413-L417 WeakPolarHBondContact O-CG 3.48Å; G413-L417 PolarHBondContact O-N 3.2Å; G413-L417 VanDerWaalsContact O-N 3.07Å
414L94.3Very high87.9Confident0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-67.8-42.9176.8-80.5174.2000112.9T410 A411 K412 W416 L417 H418 H427 I430 I445 F494 M579T410-L414 HydrophobicContact CG2-CD1 4.29Å; T410-L414 PolarHBondContact O-N 3.48Å; A411-L414 PolarHBondContact O-N 2.97Å; K412-L414 PolarHBondContact O-N 3.21Å; L414-W416 VanDerWaalsContact C-N 3.27Å; L414-W416 PolarHBondContact O-N 2.92Å; L414-L417 HydrophobicContact CD2-CD1 4.27Å; L414-L417 PolarHBondContact O-N 2.82Å; L414-H418 PolarHBondContact O-N 3.24Å; L414-H427 HydrophobicContact CD2-CB 4.36Å; L414-I430 HydrophobicContact CD1-CD1 4.02Å; L414-I430 HydrophobicContact CD1-CG1 4.21Å; L414-I430 HydrophobicContact CD1-CG2 4.35Å; L414-I430 HydrophobicContact CD2-CD1 3.38Å; L414-I430 HydrophobicContact CD2-CG1 3.88Å; L414-I430 HydrophobicContact CG-CD1 4.13Å; L414-I445 HydrophobicContact CD2-CD1 4.23Å; L414-I445 HydrophobicContact CG-CD1 3.81Å; L414-F494 HydrophobicContact CD1-CB 3.89Å; L414-F494 HydrophobicContact CD1-CD2 3.76Å; L414-F494 HydrophobicContact CD1-CG 3.85Å; L414-M579 HydrophobicContact CB-CB 4.34Å; L414-M579 HydrophobicContact CB-CE 3.6Å; L414-M579 HydrophobicContact CB-CG 4.01Å; L414-M579 HydrophobicContact CB-SD 4.34Å; L414-M579 HydrophobicContact CD1-CE 3.66Å; L414-M579 HydrophobicContact CD1-SD 4.21Å; L414-M579 HydrophobicContact CG-CE 4.28Å
415A91.3Very high87.1Confident0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-58-42.9174.700000111A411 K412 H418 H419 M579 F580 I601A411-A415 VanDerWaalsContact O-CB 3.27Å; A411-A415 WeakPolarHBondContact O-CB 3.33Å; A411-A415 PolarHBondContact O-N 3.45Å; K412-A415 PolarHBondContact O-N 3.34Å; A415-H418 PolarHBondContact O-N 3.36Å; A415-H419 WeakPolarHBondContact O-CB 3.41Å; A415-H419 PolarHBondContact O-CD2 3.31Å; A415-H419 PolarHBondContact O-N 3.46Å; A415-M579 HydrophobicContact CB-CB 4.19Å; A415-F580 HydrophobicContact CB-CB 4.43Å; A415-I601 HydrophobicContact CB-CD1 3.62Å
416W89.2Confident86.4Confident56 Ų5631.7 Ų31.721%0.21216%0.159CC..Hα-helixtrans-63-43.3175.9-175.889.6000112.5V353 N355 L358 K412 G413 L414 H418 S420 C421 I601V353-W416 HydrophobicContact CG1-CH2 3.76Å; V353-W416 HydrophobicContact CG1-CZ3 3.58Å; N355-W416 HydrophobicContact CB-CD2 4.23Å; N355-W416 HydrophobicContact CB-CE3 4.16Å; N355-W416 HydrophobicContact CB-CZ3 4.4Å; N355-W416 VanDerWaalsContact ND2-CG 3.31Å; L358-W416 HydrophobicContact CD1-CE3 4.12Å; L358-W416 HydrophobicContact CD1-CZ3 3.9Å; K412-W416 WeakPolarHBondContact O-CB 2.81Å; K412-W416 PolarHBondContact O-N 3.27Å; G413-W416 PolarHBondContact O-N 3.24Å; L414-W416 VanDerWaalsContact C-N 3.27Å; L414-W416 PolarHBondContact O-N 2.92Å; W416-H418 VanDerWaalsContact C-N 3.31Å; W416-H418 PolarHBondContact O-N 2.74Å; W416-S420 VanDerWaalsContact CD1-CB 3.48Å; W416-S420 WeakPolarHBondContact O-CA 3.13Å; W416-S420 WeakPolarHBondContact O-CB 3.37Å; W416-S420 PolarHBondContact O-N 3.17Å; W416-C421 HydrophobicContact CE3-CB 4.48Å; W416-C421 HydrophobicContact CH2-CB 4.21Å; W416-C421 HydrophobicContact CZ3-CB 4.04Å; W416-C421 PolarHBondContact O-N 3.31Å; W416-I601 HydrophobicContact CB-CD1 4.23Å
417L87.3Confident85.9Confident0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-61.2-38.8176.2-72.9171.8000112.6L358 G413 L414 I425 F448L358-L417 HydrophobicContact CD1-CD2 3.91Å; L358-L417 HydrophobicContact CD1-CG 4.43Å; L358-L417 HydrophobicContact CD2-CD1 3.95Å; L358-L417 HydrophobicContact CD2-CD2 4.43Å; L358-L417 HydrophobicContact CD2-CG 4.25Å; G413-L417 WeakPolarHBondContact O-CG 3.48Å; G413-L417 PolarHBondContact O-N 3.2Å; G413-L417 VanDerWaalsContact O-N 3.07Å; L414-L417 HydrophobicContact CD2-CD1 4.27Å; L414-L417 PolarHBondContact O-N 2.82Å; L417-I425 CarbonylContact C-O 3.6Å; L417-I425 HydrophobicContact CB-CB 4.39Å; L417-I425 HydrophobicContact CD2-CB 3.95Å; L417-I425 HydrophobicContact CD2-CD1 4.05Å; L417-I425 HydrophobicContact CD2-CG2 4.06Å; L417-I425 PolarHBondContact O-N 3.49Å; L417-F448 HydrophobicContact CD1-CB 4.17Å; L417-F448 HydrophobicContact CD2-CD2 4.43Å
418H84.1Confident85.2Confident11 Ų1132.5 Ų32.55%0.05116%0.162CC..Hα-helixtrans-79.6-37.1-177-72.7-172.5000113.7L414 A415 W416 R424 I425 D490 M579L414-H418 PolarHBondContact O-N 3.24Å; A415-H418 PolarHBondContact O-N 3.36Å; W416-H418 VanDerWaalsContact C-N 3.31Å; W416-H418 PolarHBondContact O-N 2.74Å; H418-R424 VanDerWaalsContact O-CD 3.29Å; H418-R424 WeakPolarHBondContact O-CD 3.26Å; H418-R424 WeakPolarHBondContact O-CG 3.43Å; H418-I425 PolarHBondContact CD2-O 2.86Å; H418-D490 IonicContact CD2-OD2 2.71Å; H418-D490 VanDerWaalsContact CE1-CB 3.49Å; H418-D490 WeakPolarHBondContact CE1-CB 3.37Å; H418-D490 IonicContact CE1-OD2 3.9Å; H418-D490 IonicContact NE2-OD2 3.06Å; H418-D490 PolarHBondContact NE2-OD2 2.97Å; H418-M579 VanDerWaalsContact CE1-CG 3.47Å; H418-M579 WeakPolarHBondContact CE1-CG 3.43Å; H418-M579 WeakPolarHBondContact ND1-CG 3.29Å
419H80.5Confident84.5Confident90 Ų9032.2 Ų32.242%0.41716%0.16SC..Hα-helixtrans-115.3-23.3-167.8-65.2-94.6000114.6A415A415-H419 WeakPolarHBondContact O-CB 3.41Å; A415-H419 PolarHBondContact O-CD2 3.31Å; A415-H419 PolarHBondContact O-N 3.46Å
420S77.6Confident84.4Confident52 Ų5231.9 Ų31.936%0.36416%0.157SC..THydrogen-bonded Turntrans-113.1-25.3-173.8-51.80000113.9W416 I601W416-S420 VanDerWaalsContact CD1-CB 3.48Å; W416-S420 WeakPolarHBondContact O-CA 3.13Å; W416-S420 WeakPolarHBondContact O-CB 3.37Å; W416-S420 PolarHBondContact O-N 3.17Å; S420-I601 WeakPolarHBondContact OG-CG2 3.01Å
421C71.1Confident84.2Confident19 Ų1931.9 Ų31.913%0.12816%0.157CC..SBendtrans-76.4133.9177.7-169.20000111.2W416 P423 R424 I425W416-C421 HydrophobicContact CE3-CB 4.48Å; W416-C421 HydrophobicContact CH2-CB 4.21Å; W416-C421 HydrophobicContact CZ3-CB 4.04Å; W416-C421 PolarHBondContact O-N 3.31Å; C421-P423 CarbonylContact C-O 3.49Å; C421-P423 CarbonylContact O-C 3.51Å; C421-P423 VanDerWaalsContact O-C 3.24Å; C421-P423 PolarHBondContact SG-O 3.13Å; C421-R424 WeakPolarHBondContact O-CA 3.38Å; C421-R424 PolarHBondContact O-N 3.33Å; C421-R424 VanDerWaalsContact O-N 3.07Å; C421-I425 HydrophobicContact CB-CG1 4.48Å; C421-I425 WeakPolarHBondContact SG-CD1 3.35Å
422N65Low84.1Confident158 Ų15831.9 Ų31.985%0.84516%0.157SC*.SBendtrans-125113.9173.3-17313.7000110.4
423P67.3Low83.9Confident53 Ų5335 Ų3534%0.34417%0.17SC..SBendcis-67.4150.6029.7-35.4000112C421 I425C421-P423 CarbonylContact C-O 3.49Å; C421-P423 CarbonylContact O-C 3.51Å; C421-P423 VanDerWaalsContact O-C 3.24Å; C421-P423 PolarHBondContact SG-O 3.13Å; P423-I425 PolarHBondContact O-N 2.91Å
424R71.6Confident83.8Confident161 Ų16135.1 Ų35.161%0.60817%0.171SC*.  trans-53133.9173.9166.8173.555.3-167.5-7.1110.6H418 C421H418-R424 VanDerWaalsContact O-CD 3.29Å; H418-R424 WeakPolarHBondContact O-CD 3.26Å; H418-R424 WeakPolarHBondContact O-CG 3.43Å; C421-R424 WeakPolarHBondContact O-CA 3.38Å; C421-R424 PolarHBondContact O-N 3.33Å; C421-R424 VanDerWaalsContact O-N 3.07Å
425I80.1Confident83.9Confident5 Ų535.1 Ų35.13%0.02617%0.171CC..  trans-107.5121.3178.4-62.6177.1000109.1L350 V353 L417 H418 C421 P423L350-I425 HydrophobicContact CD2-CD1 4.47Å; V353-I425 HydrophobicContact CG2-CD1 4.1Å; L417-I425 CarbonylContact C-O 3.6Å; L417-I425 HydrophobicContact CB-CB 4.39Å; L417-I425 HydrophobicContact CD2-CB 3.95Å; L417-I425 HydrophobicContact CD2-CD1 4.05Å; L417-I425 HydrophobicContact CD2-CG2 4.06Å; L417-I425 PolarHBondContact O-N 3.49Å; H418-I425 PolarHBondContact CD2-O 2.86Å; C421-I425 HydrophobicContact CB-CG1 4.48Å; C421-I425 WeakPolarHBondContact SG-CD1 3.35Å; P423-I425 PolarHBondContact O-N 2.91Å
426I82.2Confident84.2Confident27 Ų2735.1 Ų35.114%0.13817%0.171CC..  trans-96.7129.3165.9-55.3171.5000106.5R428 A485 P487 D490I426-R428 HydrophobicContact CB-CG 4.27Å; I426-R428 HydrophobicContact CG2-CG 3.8Å; I426-A485 HydrophobicContact CG2-CB 4.5Å; I426-P487 HydrophobicContact CD1-CG 4.25Å; I426-P487 HydrophobicContact CG1-CG 4.27Å; I426-D490 WeakPolarHBondContact CG2-OD2 3.46Å
427H86.9Confident84.6Confident0 Ų032.5 Ų32.50%016%0.161CC..  trans-73.5-42.3-175.5-170.3-79.3000112.2L414 N429 I430 S446 F448 D490L414-H427 HydrophobicContact CD2-CB 4.36Å; H427-N429 PolarHBondContact CE1-O 3.44Å; H427-N429 VanDerWaalsContact CE1-O 3.23Å; H427-N429 PolarHBondContact ND1-N 3.17Å; H427-N429 PolarHBondContact ND1-O 2.99Å; H427-N429 PolarHBondContact O-N 3.28Å; H427-I430 HydrophobicContact CB-CD1 3.6Å; H427-I430 HydrophobicContact CB-CG1 3.7Å; H427-I430 VanDerWaalsContact CD2-CD1 3.45Å; H427-I430 WeakPolarHBondContact CD2-CD1 3.09Å; H427-I430 WeakPolarHBondContact ND1-CD1 3.18Å; H427-I430 PolarHBondContact ND1-N 2.91Å; H427-S446 PolarHBondContact NE2-O 2.87Å; H427-F448 PolarHBondContact NE2-N 3.06Å; H427-D490 PolarHBondContact N-OD2 2.73Å
428R83.4Confident85Confident20 Ų2033.4 Ų33.48%0.07517%0.167CC..SBendtrans68-12.3177.2-45.9-178.5179.2-179.7-4.9116.1I426 A451 D458 S462 G470 A485 D490I426-R428 HydrophobicContact CB-CG 4.27Å; I426-R428 HydrophobicContact CG2-CG 3.8Å; R428-A451 HydrophobicContact CB-CB 4.04Å; R428-A451 HydrophobicContact CG-CB 4.48Å; R428-D458 IonicContact CZ-OD2 2.77Å; R428-D458 IonicContact NH1-OD1 3.45Å; R428-D458 IonicContact NH1-OD2 3.13Å; R428-D458 PolarHBondContact NH1-OD2 3.41Å; R428-S462 PolarHBondContact NH2-O 3.25Å; R428-G470 PolarHBondContact O-N 3.28Å; R428-A485 HydrophobicContact CG-CB 3.8Å; R428-D490 WeakPolarHBondContact CA-OD1 3.46Å; R428-D490 PolarHBondContact N-OD1 3.09Å
429N83.5Confident85.5Confident7 Ų735.6 Ų35.64%0.03719%0.187CC..  trans-134.140.9179.5-15767000113.7R313 H427 S431 C434 G470 D471R313-N429 PolarHBondContact NH2-OD1 3.14Å; H427-N429 PolarHBondContact CE1-O 3.44Å; H427-N429 VanDerWaalsContact CE1-O 3.23Å; H427-N429 PolarHBondContact ND1-N 3.17Å; H427-N429 PolarHBondContact ND1-O 2.99Å; H427-N429 PolarHBondContact O-N 3.28Å; N429-S431 PolarHBondContact O-N 2.92Å; N429-C434 PolarHBondContact ND2-SG 2.86Å; N429-C434 PolarHBondContact O-SG 2.77Å; N429-G470 WeakPolarHBondContact OD1-CA 3.42Å; N429-G470 PolarHBondContact OD1-O 3.43Å; N429-G470 VanDerWaalsContact OD1-O 3.12Å; N429-D471 PolarHBondContact ND2-OD1 2.02Å; N429-D471 PolarHBondContact OD1-N 2.98Å
430I92.5Very high86.1Confident0 Ų037.3 Ų37.30%020%0.195CC..  trans-70.1129.8179-64.1-66.8000109.7L414 H427 I445 Y474 S493 F494 V497L414-I430 HydrophobicContact CD1-CD1 4.02Å; L414-I430 HydrophobicContact CD1-CG1 4.21Å; L414-I430 HydrophobicContact CD1-CG2 4.35Å; L414-I430 HydrophobicContact CD2-CD1 3.38Å; L414-I430 HydrophobicContact CD2-CG1 3.88Å; L414-I430 HydrophobicContact CG-CD1 4.13Å; H427-I430 HydrophobicContact CB-CD1 3.6Å; H427-I430 HydrophobicContact CB-CG1 3.7Å; H427-I430 VanDerWaalsContact CD2-CD1 3.45Å; H427-I430 WeakPolarHBondContact CD2-CD1 3.09Å; H427-I430 WeakPolarHBondContact ND1-CD1 3.18Å; H427-I430 PolarHBondContact ND1-N 2.91Å; I430-I445 HydrophobicContact CD1-CG2 4.23Å; I430-Y474 WeakPolarHBondContact O-CB 3.41Å; I430-S493 WeakPolarHBondContact O-CB 3.45Å; I430-F494 HydrophobicContact CG2-CB 4.2Å; I430-V497 HydrophobicContact CG2-CG2 4.25Å
431S93.5Very high86.9Confident0 Ų037.7 Ų37.70%019%0.19CC..SBendtrans-160.4168174.165.90000109.3N429 K433 C434 D471N429-S431 PolarHBondContact O-N 2.92Å; S431-K433 PolarHBondContact O-N 3.37Å; S431-K433 PolarHBondContact OG-N 2.95Å; S431-C434 PolarHBondContact O-N 3.01Å; S431-C434 PolarHBondContact OG-N 3.25Å; S431-D471 WeakPolarHBondContact CB-OD2 3.46Å; S431-D471 PolarHBondContact OG-OD2 3.43Å
432S95.1Very high88.1Confident0 Ų039.9 Ų39.90%020%0.199CC..G310 helixtrans-63.9-19.3171.150.50000112.6Y384 C434 Y474 E500Y384-S432 WeakPolarHBondContact CD2-OG 3.23Å; Y384-S432 PolarHBondContact N-O 3.14Å; Y384-S432 VanDerWaalsContact N-O 3.15Å; S432-C434 VanDerWaalsContact C-N 3.27Å; S432-C434 PolarHBondContact O-N 2.03Å; S432-Y474 PolarHBondContact OG-OH 3.32Å; S432-E500 WeakPolarHBondContact CB-OE2 3.46Å; S432-E500 PolarHBondContact OG-OE2 3.25Å
433K91.6Very high89.6Confident75 Ų7532.4 Ų32.433%0.32616%0.159SC..G310 helixtrans-78.2-5.3170.8-62-179.8-179.8177.90113.8Y382 Y384 S431Y382-K433 WeakPolarHBondContact CD1-O 3.3Å; Y382-K433 WeakPolarHBondContact CE1-O 3.04Å; Y384-K433 HydrophobicContact CD1-CG 4.31Å; Y384-K433 HydrophobicContact CD2-CD 4.38Å; Y384-K433 HydrophobicContact CD2-CG 3.8Å; Y384-K433 HydrophobicContact CG-CD 4.41Å; Y384-K433 HydrophobicContact CG-CG 3.65Å; S431-K433 PolarHBondContact O-N 3.37Å; S431-K433 PolarHBondContact OG-N 2.95Å
434C92.1Very high91Very high3 Ų331.4 Ų31.42%0.0215%0.149CC..G310 helixtrans-107.5-0.9174-660000113N429 S431 S432 S446N429-C434 PolarHBondContact ND2-SG 2.86Å; N429-C434 PolarHBondContact O-SG 2.77Å; S431-C434 PolarHBondContact O-N 3.01Å; S431-C434 PolarHBondContact OG-N 3.25Å; S432-C434 VanDerWaalsContact C-N 3.27Å; S432-C434 PolarHBondContact O-N 2.03Å; C434-S446 WeakPolarHBondContact CA-OG 3.36Å; C434-S446 WeakPolarHBondContact O-CB 3.43Å; C434-S446 PolarHBondContact O-N 3.04Å; C434-S446 PolarHBondContact O-OG 3.47Å
435I96.6Very high92.1Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-105.7115.3179.1-60.7162.4000108Y382 L383 I406 T410 P443 V497Y382-I435 CarbonylContact C-O 3.47Å; Y382-I435 WeakPolarHBondContact CA-O 3.35Å; L383-I435 HydrophobicContact CB-CB 4.02Å; L383-I435 HydrophobicContact CB-CG2 4.11Å; L383-I435 HydrophobicContact CD2-CB 4.33Å; L383-I435 HydrophobicContact CD2-CD1 3.9Å; L383-I435 HydrophobicContact CD2-CG2 4.3Å; L383-I435 PolarHBondContact N-O 3.01Å; I406-I435 HydrophobicContact CG2-CG2 4.49Å; T410-I435 HydrophobicContact CG2-CD1 3.65Å; T410-I435 HydrophobicContact CG2-CG1 4.01Å; I435-P443 HydrophobicContact CG2-CB 4.05Å; I435-V497 HydrophobicContact CD1-CG1 3.7Å; I435-V497 HydrophobicContact CD1-CG2 4.36Å
436L97.1Very high92.7Very high1 Ų123.6 Ų23.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-100.7152.5175.5-74.7165.7000110.7M329 V359 M378 G381 Y382 K444M329-L436 HydrophobicContact CE-CD1 3.5Å; M329-L436 VanDerWaalsContact CE-CD1 3.5Å; M329-L436 HydrophobicContact SD-CD1 4.31Å; V359-L436 HydrophobicContact CG1-CD1 4.47Å; V359-L436 HydrophobicContact CG2-CB 4.16Å; V359-L436 HydrophobicContact CG2-CD1 3.78Å; V359-L436 HydrophobicContact CG2-CG 4.49Å; M378-L436 HydrophobicContact CB-CB 3.86Å; M378-L436 HydrophobicContact CB-CD1 4.44Å; M378-L436 HydrophobicContact CB-CD2 4.17Å; M378-L436 HydrophobicContact CB-CG 4.39Å; M378-L436 HydrophobicContact CG-CB 3.67Å; M378-L436 HydrophobicContact CG-CD1 3.98Å; M378-L436 HydrophobicContact CG-CG 4.28Å; G381-L436 CarbonylContact O-C 3.57Å; G381-L436 WeakPolarHBondContact O-CA 3.17Å; G381-L436 WeakPolarHBondContact O-CD2 3.46Å; Y382-L436 HydrophobicContact CD1-CD2 3.45Å; Y382-L436 VanDerWaalsContact CD1-CD2 3.45Å; Y382-L436 HydrophobicContact CD1-CG 3.85Å; Y382-L436 HydrophobicContact CD2-CD2 3.97Å; Y382-L436 HydrophobicContact CE1-CD1 4.25Å; Y382-L436 HydrophobicContact CE1-CD2 3.5Å; Y382-L436 HydrophobicContact CE1-CG 3.74Å; Y382-L436 HydrophobicContact CE2-CD2 3.99Å; Y382-L436 HydrophobicContact CG-CD2 3.72Å; L436-K444 PolarHBondContact N-O 3.3Å; L436-K444 PolarHBondContact O-N 3.09Å
437L97.3Very high92.9Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-119.8131-174-61.5169.6000111.7M378 A379 N380 G381 L383 Q386 I406 F441 E442 P443M378-L437 CarbonylContact C-O 3.54Å; A379-L437 PolarHBondContact N-O 3.46Å; N380-L437 HydrophobicContact CB-CB 3.81Å; N380-L437 PolarHBondContact N-O 2.84Å; G381-L437 PolarHBondContact O-N 3.4Å; L383-L437 HydrophobicContact CB-CD1 4.43Å; L383-L437 HydrophobicContact CD1-CD1 4.34Å; Q386-L437 HydrophobicContact CB-CD1 4.38Å; Q386-L437 HydrophobicContact CG-CD1 3.61Å; I406-L437 HydrophobicContact CD1-CD1 4.17Å; I406-L437 HydrophobicContact CD1-CD2 3.72Å; I406-L437 HydrophobicContact CG1-CD2 3.72Å; I406-L437 HydrophobicContact CG2-CD2 4.47Å; L437-F441 HydrophobicContact CD1-CD1 4.2Å; L437-E442 WeakPolarHBondContact CA-O 3.47Å; L437-P443 HydrophobicContact CD2-CB 4.37Å
438T95.9Very high92.5Very high19 Ų1923.5 Ų23.512%0.11712%0.118CC..  trans-70.3174.6171.175.60000111M378 N380 E440 F441 E442 K444M378-T438 HydrophobicContact SD-CG2 4.17Å; N380-T438 PolarHBondContact ND2-O 3.47Å; T438-E440 PolarHBondContact O-N 3.05Å; T438-E440 PolarHBondContact OG1-N 3.23Å; T438-E440 PolarHBondContact OG1-OE2 3.49Å; T438-E440 VanDerWaalsContact OG1-OE2 3.08Å; T438-F441 PolarHBondContact O-N 3.02Å; T438-E442 HydrophobicContact CG2-CB 3.95Å; T438-E442 PolarHBondContact N-O 3.47Å; T438-E442 VanDerWaalsContact N-O 3.09Å; T438-E442 WeakPolarHBondContact OG1-CB 3.31Å; T438-E442 PolarHBondContact OG1-N 2.92Å; T438-K444 HydrophobicContact CG2-CD 3.89Å; T438-K444 VanDerWaalsContact CG2-CE 3.47Å; T438-K444 HydrophobicContact CG2-CG 4.47Å
439A94.6Very high92.1Very high57 Ų5722.7 Ų22.747%0.47112%0.116SC..THydrogen-bonded Turntrans-57.5-31.6174.900000112.6A379 N380 F441A379-A439 HydrophobicContact CB-CB 3.99Å; N380-A439 PolarHBondContact ND2-O 3.11Å; A439-F441 VanDerWaalsContact C-N 3.28Å; A439-F441 PolarHBondContact O-N 3.02Å
440E94.1Very high91.3Very high127 Ų12722.4 Ų22.459%0.59312%0.115SC*.THydrogen-bonded Turntrans-89.515.1177.6-54.770.3-15100113.3K405 T438 E442K405-E440 PolarHBondContact NZ-O 3.2Å; T438-E440 PolarHBondContact O-N 3.05Å; T438-E440 PolarHBondContact OG1-N 3.23Å; T438-E440 PolarHBondContact OG1-OE2 3.49Å; T438-E440 VanDerWaalsContact OG1-OE2 3.08Å; E440-E442 HydrophobicContact CB-CG 4.47Å; E440-E442 PolarHBondContact O-N 2.56Å
441F93.7Very high89.8Confident59 Ų5922.9 Ų22.926%0.25912%0.119SC..  trans56.829.7-177.1-69.6-93.9000113.8N380 L398 L437 T438 A439N380-F441 HydrophobicContact CB-CE1 4.27Å; N380-F441 HydrophobicContact CB-CZ 4.49Å; N380-F441 VanDerWaalsContact ND2-CE2 3.31Å; N380-F441 WeakPolarHBondContact ND2-CE2 3.45Å; N380-F441 WeakPolarHBondContact ND2-CZ 3.39Å; L398-F441 HydrophobicContact CD2-CD1 3.82Å; L398-F441 HydrophobicContact CD2-CE1 3.6Å; L398-F441 HydrophobicContact CD2-CZ 4.45Å; L437-F441 HydrophobicContact CD1-CD1 4.2Å; T438-F441 PolarHBondContact O-N 3.02Å; A439-F441 VanDerWaalsContact C-N 3.28Å; A439-F441 PolarHBondContact O-N 3.02Å
442E95.1Very high88.4Confident66 Ų6624 Ų2431%0.30812%0.123SC..  trans-75.2130.1170.1-64.9-66.2163.600110.3K405 L437 T438 E440K405-E442 WeakPolarHBondContact CE-OE1 3.39Å; K405-E442 VanDerWaalsContact CE-OE2 3.31Å; K405-E442 WeakPolarHBondContact CE-OE2 3.49Å; K405-E442 VanDerWaalsContact NZ-CD 3.32Å; K405-E442 IonicContact NZ-OE1 3.82Å; K405-E442 PolarHBondContact NZ-OE1 3.08Å; K405-E442 IonicContact NZ-OE2 3.9Å; L437-E442 WeakPolarHBondContact CA-O 3.47Å; T438-E442 HydrophobicContact CG2-CB 3.95Å; T438-E442 PolarHBondContact N-O 3.47Å; T438-E442 VanDerWaalsContact N-O 3.09Å; T438-E442 WeakPolarHBondContact OG1-CB 3.31Å; T438-E442 PolarHBondContact OG1-N 2.92Å; E440-E442 HydrophobicContact CB-CG 4.47Å; E440-E442 PolarHBondContact O-N 2.56Å
443P97.4Very high86.4Confident0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-77.2135.2179.333.6-38.4000112.2N357 I406 T410 I435 L437N357-P443 WeakPolarHBondContact CA-O 3.38Å; N357-P443 PolarHBondContact ND2-O 2.73Å; I406-P443 HydrophobicContact CG2-CB 4.23Å; T410-P443 WeakPolarHBondContact OG1-CB 3.4Å; I435-P443 HydrophobicContact CG2-CB 4.05Å; L437-P443 HydrophobicContact CD2-CB 4.37Å
444K96.9Very high84.5Confident32 Ų3221.2 Ų21.214%0.13911%0.112CC..EExtended strand (participates in β ladder)trans-132.3119.8173.3-69.9179.4178.4-700110.8R356 N357 V359 M378 L436 T438 S446R356-K444 PolarHBondContact O-NZ 3.06Å; N357-K444 CarbonylContact O-C 3.54Å; N357-K444 WeakPolarHBondContact O-CA 3.49Å; V359-K444 HydrophobicContact CG2-CB 3.67Å; M378-K444 HydrophobicContact CE-CB 4.46Å; M378-K444 HydrophobicContact CE-CD 3.31Å; M378-K444 HydrophobicContact SD-CD 3.68Å; L436-K444 PolarHBondContact N-O 3.3Å; L436-K444 PolarHBondContact O-N 3.09Å; T438-K444 HydrophobicContact CG2-CD 3.89Å; T438-K444 VanDerWaalsContact CG2-CE 3.47Å; T438-K444 HydrophobicContact CG2-CG 4.47Å; K444-S446 PolarHBondContact O-N 2.76Å
445I95.5Very high82.7Confident0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-74.4124.5177.9-54.9158.4000108.7N357 L358 V359 T410 L414 I430 F448N357-I445 PolarHBondContact O-N 3.3Å; L358-I445 HydrophobicContact CD2-CB 3.78Å; L358-I445 HydrophobicContact CD2-CD1 4.01Å; L358-I445 HydrophobicContact CD2-CG1 4.41Å; L358-I445 HydrophobicContact CD2-CG2 4.45Å; V359-I445 PolarHBondContact N-O 2.81Å; T410-I445 HydrophobicContact CG2-CD1 4.28Å; T410-I445 HydrophobicContact CG2-CG1 4.07Å; L414-I445 HydrophobicContact CD2-CD1 4.23Å; L414-I445 HydrophobicContact CG-CD1 3.81Å; I430-I445 HydrophobicContact CD1-CG2 4.23Å; I445-F448 WeakPolarHBondContact O-CD1 3.45Å
446S92.6Very high80.4Confident2 Ų223.8 Ų23.81%0.01413%0.128CC..  trans-99.3175.7174.5710000110.5H427 C434 K444 F448H427-S446 PolarHBondContact NE2-O 2.87Å; C434-S446 WeakPolarHBondContact CA-OG 3.36Å; C434-S446 WeakPolarHBondContact O-CB 3.43Å; C434-S446 PolarHBondContact O-N 3.04Å; C434-S446 PolarHBondContact O-OG 3.47Å; K444-S446 PolarHBondContact O-N 2.76Å; S446-F448 PolarHBondContact O-N 3.07Å
447D84.6Confident78.2Confident13 Ų1324 Ų247%0.0713%0.129CC..SBendtrans59.27171.4-69.51000118.1T314 K331 G449 L450T314-D447 PolarHBondContact OG1-OD2 3.22Å; K331-D447 IonicContact NZ-OD1 2.77Å; K331-D447 PolarHBondContact NZ-OD1 2.84Å; K331-D447 IonicContact NZ-OD2 2.67Å; K331-D447 PolarHBondContact NZ-OD2 3.06Å; D447-G449 PolarHBondContact O-N 2.71Å; D447-L450 HydrophobicContact CB-CD1 4.03Å; D447-L450 HydrophobicContact CB-CG 4.4Å; D447-L450 WeakPolarHBondContact O-CB 3.36Å; D447-L450 WeakPolarHBondContact O-CG 3.32Å; D447-L450 PolarHBondContact O-N 3.03Å; D447-L450 VanDerWaalsContact O-N 3.12Å; D447-L450 VanDerWaalsContact OD1-CD1 3.3Å; D447-L450 WeakPolarHBondContact OD1-CD1 3.45Å
448F80.2Confident75.9Confident12 Ų1224 Ų245%0.05313%0.129CC..THydrogen-bonded Turntrans-61.6132.9175.662.7-89000111.4L350 V353 L358 L417 H427 I445 S446 L450L350-F448 HydrophobicContact CD2-CD2 4.01Å; L350-F448 HydrophobicContact CD2-CE2 4.1Å; V353-F448 HydrophobicContact CB-CE2 4.14Å; V353-F448 HydrophobicContact CG1-CE2 3.8Å; V353-F448 HydrophobicContact CG1-CZ 4.33Å; L358-F448 HydrophobicContact CB-CD1 4.42Å; L358-F448 HydrophobicContact CB-CE1 3.78Å; L358-F448 HydrophobicContact CB-CZ 4.12Å; L358-F448 HydrophobicContact CD1-CE1 4.28Å; L358-F448 HydrophobicContact CD1-CE2 4.23Å; L358-F448 HydrophobicContact CD1-CZ 4.1Å; L358-F448 HydrophobicContact CD2-CD1 4.07Å; L358-F448 HydrophobicContact CD2-CE1 4.28Å; L358-F448 HydrophobicContact CD2-CG 4.5Å; L358-F448 HydrophobicContact CG-CE1 4.32Å; L417-F448 HydrophobicContact CD1-CB 4.17Å; L417-F448 HydrophobicContact CD2-CD2 4.43Å; H427-F448 PolarHBondContact NE2-N 3.06Å; I445-F448 WeakPolarHBondContact O-CD1 3.45Å; S446-F448 PolarHBondContact O-N 3.07Å; F448-L450 PolarHBondContact O-N 3.29Å; F448-L450 VanDerWaalsContact O-N 3.14Å
449G73.4Confident73.6Confident3 Ų327.7 Ų27.73%0.03115%0.151CC..THydrogen-bonded Turntrans72.7-7.6-17700000115.3D447 A451 R452 L453D447-G449 PolarHBondContact O-N 2.71Å; G449-A451 PolarHBondContact O-N 3.37Å; G449-R452 WeakPolarHBondContact O-CB 3.4Å; G449-R452 PolarHBondContact O-N 2.97Å; G449-L453 PolarHBondContact O-N 2.95Å
450L67.6Low71.3Confident2 Ų230.7 Ų30.71%0.0116%0.155CC..Hα-helixtrans-66.8-37177.2-61.4-167000112.1T314 K331 L333 L373 D447 F448 R452 L453 M454T314-L450 HydrophobicContact CG2-CB 4.1Å; K331-L450 HydrophobicContact CD-CD1 3.93Å; L333-L450 HydrophobicContact CD2-CD1 4.15Å; L373-L450 HydrophobicContact CD1-CD1 4.23Å; L373-L450 HydrophobicContact CD1-CD2 3.45Å; L373-L450 VanDerWaalsContact CD1-CD2 3.45Å; D447-L450 HydrophobicContact CB-CD1 4.03Å; D447-L450 HydrophobicContact CB-CG 4.4Å; D447-L450 WeakPolarHBondContact O-CB 3.36Å; D447-L450 WeakPolarHBondContact O-CG 3.32Å; D447-L450 PolarHBondContact O-N 3.03Å; D447-L450 VanDerWaalsContact O-N 3.12Å; D447-L450 VanDerWaalsContact OD1-CD1 3.3Å; D447-L450 WeakPolarHBondContact OD1-CD1 3.45Å; F448-L450 PolarHBondContact O-N 3.29Å; F448-L450 VanDerWaalsContact O-N 3.14Å; L450-R452 PolarHBondContact O-N 2.93Å; L450-R452 VanDerWaalsContact O-N 3.17Å; L450-L453 HydrophobicContact CD2-CD1 3.46Å; L450-L453 VanDerWaalsContact CD2-CD1 3.46Å; L450-L453 WeakPolarHBondContact O-CB 3.4Å; L450-L453 PolarHBondContact O-N 3.09Å; L450-M454 WeakPolarHBondContact O-CB 3.47Å; L450-M454 VanDerWaalsContact O-CG 3.23Å; L450-M454 WeakPolarHBondContact O-CG 3.47Å; L450-M454 PolarHBondContact O-N 3.39Å
451A60.8Low69Low10 Ų1032.2 Ų32.28%0.08317%0.167CC..Hα-helixtrans-56-34.3174.600000112.4R428 G449R428-A451 HydrophobicContact CB-CB 4.04Å; R428-A451 HydrophobicContact CG-CB 4.48Å; G449-A451 PolarHBondContact O-N 3.37Å
452R63.8Low66.8Low22 Ų2230 Ų308%0.08316%0.159CC..Hα-helixtrans-71.5-39.4173.8-172.8177.974-156.2-0.3112.3R338 E346 G449 L450 N455 D458R338-R452 PolarHBondContact NH1-O 3.44Å; E346-R452 IonicContact OE1-NE 3.64Å; E346-R452 IonicContact OE2-CZ 3.36Å; E346-R452 IonicContact OE2-NE 3.13Å; E346-R452 PolarHBondContact OE2-NE 3.47Å; E346-R452 IonicContact OE2-NH2 3.91Å; E346-R452 PolarHBondContact OE2-NH2 2.84Å; G449-R452 WeakPolarHBondContact O-CB 3.4Å; G449-R452 PolarHBondContact O-N 2.97Å; L450-R452 PolarHBondContact O-N 2.93Å; L450-R452 VanDerWaalsContact O-N 3.17Å; R452-N455 VanDerWaalsContact O-O 3.08Å; R452-D458 HydrophobicContact CG-CB 3.79Å
453L54.5Low64.6Low1 Ų129.4 Ų29.41%0.00516%0.16CC..Hα-helixtrans-71.3-38179.1-79.4155.7000114.1R338 F343 E346 M347 L350 G449 L450 N455R338-L453 WeakPolarHBondContact CD-O 3.45Å; F343-L453 HydrophobicContact CD2-CD2 4.15Å; F343-L453 HydrophobicContact CE2-CD2 4.32Å; E346-L453 HydrophobicContact CB-CD2 3.31Å; E346-L453 HydrophobicContact CB-CG 4.28Å; E346-L453 HydrophobicContact CG-CD2 4.07Å; M347-L453 HydrophobicContact CE-CD1 3.14Å; M347-L453 HydrophobicContact CE-CD2 3.58Å; M347-L453 HydrophobicContact CE-CG 3.99Å; L350-L453 HydrophobicContact CD1-CD1 3.25Å; L350-L453 HydrophobicContact CD1-CG 3.98Å; G449-L453 PolarHBondContact O-N 2.95Å; L450-L453 HydrophobicContact CD2-CD1 3.46Å; L450-L453 VanDerWaalsContact CD2-CD1 3.46Å; L450-L453 WeakPolarHBondContact O-CB 3.4Å; L450-L453 PolarHBondContact O-N 3.09Å; L453-N455 PolarHBondContact O-N 3.37Å
454M51.2Low62.2Low17 Ų1733.8 Ų33.88%0.08418%0.179CC..Hα-helixtrans-72.2-22.1-178.6-66.6-53.9-60.800111.5T314 L333 Q334 S336 L450 P456T314-M454 HydrophobicContact CG2-CG 4.3Å; L333-M454 HydrophobicContact CB-SD 3.91Å; L333-M454 HydrophobicContact CD1-SD 4.2Å; L333-M454 HydrophobicContact CD2-SD 4.2Å; L333-M454 HydrophobicContact CG-SD 4.33Å; Q334-M454 HydrophobicContact CB-CE 3.61Å; Q334-M454 VanDerWaalsContact O-CE 3.26Å; Q334-M454 WeakPolarHBondContact O-CE 3.12Å; S336-M454 VanDerWaalsContact CB-O 3.27Å; S336-M454 WeakPolarHBondContact CB-O 3.36Å; L450-M454 WeakPolarHBondContact O-CB 3.47Å; L450-M454 VanDerWaalsContact O-CG 3.23Å; L450-M454 WeakPolarHBondContact O-CG 3.47Å; L450-M454 PolarHBondContact O-N 3.39Å; M454-P456 WeakPolarHBondContact O-CD 3.28Å
455N54.9Low60Low5 Ų532.7 Ų32.73%0.02718%0.175CC..  trans-92.9113175.9-165.2-6000110.3R338 R452 L453 I457 D458R338-N455 PolarHBondContact NH1-O 3.23Å; R452-N455 VanDerWaalsContact O-O 3.08Å; L453-N455 PolarHBondContact O-N 3.37Å; N455-I457 PolarHBondContact O-N 2.92Å; N455-I457 VanDerWaalsContact O-N 3.08Å; N455-I457 VanDerWaalsContact OD1-CB 3.25Å; N455-I457 WeakPolarHBondContact OD1-CB 3.35Å; N455-I457 PolarHBondContact OD1-N 3.49Å; N455-D458 HydrophobicContact CB-CB 4.38Å; N455-D458 WeakPolarHBondContact CB-OD2 3.49Å; N455-D458 PolarHBondContact ND2-OD2 3.03Å; N455-D458 PolarHBondContact O-N 3.27Å
456P48.2Very low57.9Low51 Ų5132.9 Ų32.933%0.33118%0.176SC..THydrogen-bonded Turntrans-64-14.3176.523.1-29.2000113.1S336 R338 M454S336-P456 WeakPolarHBondContact O-CG 3.22Å; R338-P456 HydrophobicContact CG-CB 3.87Å; M454-P456 WeakPolarHBondContact O-CD 3.28Å
457I50.1Low55.9Low6 Ų632.8 Ų32.83%0.03118%0.175CC..THydrogen-bonded Turntrans-94.8-18.1-169.9-58.8179.6000112N152 T153 K176 N455 T459N152-I457 HydrophobicContact CB-CD1 3.49Å; N152-I457 VanDerWaalsContact CB-CD1 3.49Å; T153-I457 WeakPolarHBondContact OG1-CD1 3.44Å; K176-I457 HydrophobicContact CB-CG2 3.82Å; K176-I457 HydrophobicContact CD-CG2 3.31Å; K176-I457 HydrophobicContact CG-CG2 3.56Å; K176-I457 VanDerWaalsContact NZ-CG2 3.33Å; K176-I457 PolarHBondContact NZ-O 2.98Å; N455-I457 PolarHBondContact O-N 2.92Å; N455-I457 VanDerWaalsContact O-N 3.08Å; N455-I457 VanDerWaalsContact OD1-CB 3.25Å; N455-I457 WeakPolarHBondContact OD1-CB 3.35Å; N455-I457 PolarHBondContact OD1-N 3.49Å; I457-T459 PolarHBondContact O-N 3.07Å; I457-T459 VanDerWaalsContact O-N 3.15Å
458D48.8Very low54.7Low1 Ų134.2 Ų34.21%0.00518%0.181CC..  trans-76.8101.6175.4-74-37000110.7R338 R428 R452 N455 S462R338-D458 PolarHBondContact NH1-O 3.3Å; R338-D458 VanDerWaalsContact NH1-O 3.1Å; R428-D458 IonicContact CZ-OD2 2.77Å; R428-D458 IonicContact NH1-OD1 3.45Å; R428-D458 IonicContact NH1-OD2 3.13Å; R428-D458 PolarHBondContact NH1-OD2 3.41Å; R452-D458 HydrophobicContact CG-CB 3.79Å; N455-D458 HydrophobicContact CB-CB 4.38Å; N455-D458 WeakPolarHBondContact CB-OD2 3.49Å; N455-D458 PolarHBondContact ND2-OD2 3.03Å; N455-D458 PolarHBondContact O-N 3.27Å; D458-S462 WeakPolarHBondContact CA-OG 3.3Å; D458-S462 PolarHBondContact OD1-OG 2.63Å
459T46.9Very low53.7Low95 Ų9534 Ų3458%0.58318%0.18SC*.  trans-78.1164.6153.458.40000108.4I457 L461 S462I457-T459 PolarHBondContact O-N 3.07Å; I457-T459 VanDerWaalsContact O-N 3.15Å; T459-L461 PolarHBondContact O-N 2.91Å; T459-S462 PolarHBondContact O-N 3.17Å; T459-S462 VanDerWaalsContact O-N 3.14Å
460H48.2Very low53.5Low120 Ų12034.2 Ų34.256%0.55618%0.183SC*.THydrogen-bonded Turntrans-49.9-5.3-173.3-57.6-56.8000116.9E346E346-H460 IonicContact OE1-CE1 3.12Å; E346-H460 PolarHBondContact OE1-CE1 3.38Å; E346-H460 IonicContact OE1-ND1 3.6Å; E346-H460 PolarHBondContact OE1-ND1 2.79Å
461L43.8Very low53.8Low160 Ų16035.7 Ų35.784%0.83819%0.191SC*.THydrogen-bonded Turntrans-125-10.6-174.5-68.7163.4000115.8T459 T463T459-L461 PolarHBondContact O-N 2.91Å; L461-T463 PolarHBondContact O-N 3.01Å
462S49.3Very low54.3Low12 Ų1237.3 Ų37.38%0.08420%0.196CC..  trans-80.3123.8-177.464.30000113.6K176 R428 D458 T459K176-S462 PolarHBondContact NZ-OG 3.35Å; K176-S462 VanDerWaalsContact NZ-OG 3.11Å; R428-S462 PolarHBondContact NH2-O 3.25Å; D458-S462 WeakPolarHBondContact CA-OG 3.3Å; D458-S462 PolarHBondContact OD1-OG 2.63Å; T459-S462 PolarHBondContact O-N 3.17Å; T459-S462 VanDerWaalsContact O-N 3.14Å
463T47.4Very low55.3Low53 Ų5336.9 Ų36.933%0.32520%0.198SC..  trans-86.9-12.6168.652.20000112.2L461 V465 V484 A485L461-T463 PolarHBondContact O-N 3.01Å; T463-V465 WeakPolarHBondContact O-CG2 3.43Å; T463-V484 CarbonylContact O-C 3.48Å; T463-V484 WeakPolarHBondContact O-CA 3.35Å; T463-A485 PolarHBondContact O-N 2.84Å
464F48.1Very low57Low93 Ų9337.1 Ų37.141%0.40820%0.199SC..BIsolated β-bridgetrans-75.5126.5-179.7-59.6-70.3000112.3M483 V484F464-M483 WeakPolarHBondContact CA-O 2.98Å; F464-V484 HydrophobicContact CD1-CG2 3.73Å; F464-V484 HydrophobicContact CE1-CG2 3.63Å
465V50Low58.8Low8 Ų838.1 Ų38.15%0.04821%0.206CC..  trans-119.2145.9-174.8-1670000111.1T463 G467 E468 F469 M483 A485T463-V465 WeakPolarHBondContact O-CG2 3.43Å; V465-G467 PolarHBondContact O-N 3.37Å; V465-E468 HydrophobicContact CG1-CB 3.94Å; V465-F469 HydrophobicContact CB-CE1 3.87Å; V465-F469 HydrophobicContact CB-CE2 4.13Å; V465-F469 HydrophobicContact CB-CZ 3.61Å; V465-F469 HydrophobicContact CG1-CE1 4.48Å; V465-F469 HydrophobicContact CG1-CZ 4.46Å; V465-F469 HydrophobicContact CG2-CD1 4.45Å; V465-F469 HydrophobicContact CG2-CE1 3.62Å; V465-F469 HydrophobicContact CG2-CZ 3.78Å; V465-M483 PolarHBondContact N-O 3.39Å; V465-A485 HydrophobicContact CG2-CB 3.93Å
466N51.4Low60.4Low4 Ų437.9 Ų37.92%0.02121%0.205CC..SBendtrans-71.234.7-179.5-71.72.6000114.6T128 I129 N152 E468T128-N466 WeakPolarHBondContact OG1-CB 3.37Å; T128-N466 PolarHBondContact OG1-O 3.33Å; I129-N466 HydrophobicContact CD1-CB 4.36Å; I129-N466 VanDerWaalsContact CD1-ND2 3.29Å; I129-N466 WeakPolarHBondContact CD1-ND2 3.41Å; I129-N466 WeakPolarHBondContact CG1-ND2 3.39Å; N152-N466 PolarHBondContact ND2-OD1 3.4Å; N466-E468 PolarHBondContact O-N 2.96Å
467G51Low62.3Low0 Ų038 Ų380%021%0.206CC..SBendtrans74.66.7-172.400000113.8W71 V465 F469W71-G467 WeakPolarHBondContact CH2-O 3.25Å; W71-G467 WeakPolarHBondContact CZ3-O 3.39Å; V465-G467 PolarHBondContact O-N 3.37Å; G467-F469 VanDerWaalsContact C-N 3.31Å; G467-F469 PolarHBondContact O-N 3.2Å; G467-F469 VanDerWaalsContact O-N 3.13Å
468E59.7Low63.8Low44 Ų4438.8 Ų38.821%0.20621%0.209CC..  trans-88.256.7-177.9-90.8-164.7-144.700112.2R313 V465 N466R313-E468 VanDerWaalsContact NH1-CB 3.28Å; R313-E468 PolarHBondContact NH1-O 3.05Å; R313-E468 IonicContact NH1-OE2 3.17Å; R313-E468 PolarHBondContact NH1-OE2 3.09Å; R313-E468 PolarHBondContact NH2-O 2.68Å; V465-E468 HydrophobicContact CG1-CB 3.94Å; N466-E468 PolarHBondContact O-N 2.96Å
469F59.7Low65.2Low7 Ų738.8 Ų38.83%0.03121%0.209CC..  trans-95.7127.1179-68.1-72.5000112.8V465 G467 V475 Y479 M483 A485V465-F469 HydrophobicContact CB-CE1 3.87Å; V465-F469 HydrophobicContact CB-CE2 4.13Å; V465-F469 HydrophobicContact CB-CZ 3.61Å; V465-F469 HydrophobicContact CG1-CE1 4.48Å; V465-F469 HydrophobicContact CG1-CZ 4.46Å; V465-F469 HydrophobicContact CG2-CD1 4.45Å; V465-F469 HydrophobicContact CG2-CE1 3.62Å; V465-F469 HydrophobicContact CG2-CZ 3.78Å; G467-F469 VanDerWaalsContact C-N 3.31Å; G467-F469 PolarHBondContact O-N 3.2Å; G467-F469 VanDerWaalsContact O-N 3.13Å; F469-V475 HydrophobicContact CB-CG1 3.81Å; F469-V475 HydrophobicContact CB-CG2 4.4Å; F469-V475 WeakPolarHBondContact O-CG2 3.29Å; F469-Y479 HydrophobicContact CB-CD2 3.72Å; F469-Y479 HydrophobicContact CB-CE2 4.46Å; F469-Y479 HydrophobicContact CB-CG 4.41Å; F469-Y479 HydrophobicContact CD1-CD1 4.16Å; F469-Y479 AromaticContact CD1-CD2 3.02Å; F469-Y479 HydrophobicContact CD1-CD2 3.02Å; F469-Y479 HydrophobicContact CD1-CE1 4.47Å; F469-Y479 AromaticContact CD1-CE2 3.37Å; F469-Y479 HydrophobicContact CD1-CE2 3.37Å; F469-Y479 AromaticContact CD1-CG 3.42Å; F469-Y479 HydrophobicContact CD1-CG 3.42Å; F469-Y479 VanDerWaalsContact CD1-CG 3.42Å; F469-Y479 HydrophobicContact CD2-CD2 4.36Å; F469-Y479 HydrophobicContact CD2-CG 4.28Å; F469-Y479 AromaticContact CE1-CD1 3.9Å; F469-Y479 HydrophobicContact CE1-CD1 3.9Å; F469-Y479 AromaticContact CE1-CD2 3.64Å; F469-Y479 HydrophobicContact CE1-CD2 3.64Å; F469-Y479 HydrophobicContact CE1-CE1 4.21Å; F469-Y479 AromaticContact CE1-CE2 3.9Å; F469-Y479 HydrophobicContact CE1-CE2 3.9Å; F469-Y479 AromaticContact CE1-CG 3.58Å; F469-Y479 HydrophobicContact CE1-CG 3.58Å; F469-Y479 HydrophobicContact CE2-CG 4.43Å; F469-Y479 AromaticContact CG-CD2 3.45Å; F469-Y479 HydrophobicContact CG-CD2 3.45Å; F469-Y479 VanDerWaalsContact CG-CD2 3.45Å; F469-Y479 HydrophobicContact CG-CE2 4.2Å; F469-Y479 AromaticContact CG-CG 3.78Å; F469-Y479 HydrophobicContact CG-CG 3.78Å; F469-Y479 HydrophobicContact CZ-CD1 4.42Å; F469-Y479 HydrophobicContact CZ-CG 4.1Å; F469-M483 HydrophobicContact CD2-SD 4.47Å; F469-M483 HydrophobicContact CE2-CB 4.33Å; F469-M483 HydrophobicContact CE2-SD 3.77Å; F469-A485 HydrophobicContact CE1-CB 4.26Å
470G68.6Low66.4Low8 Ų838.8 Ų38.88%0.08221%0.213CC..SBendtrans58.2177.8162.200000116.6R428 N429R428-G470 PolarHBondContact O-N 3.28Å; N429-G470 WeakPolarHBondContact OD1-CA 3.42Å; N429-G470 PolarHBondContact OD1-O 3.43Å; N429-G470 VanDerWaalsContact OD1-O 3.12Å
471D74.3Confident67.5Low33 Ų3342.2 Ų42.218%0.17622%0.221CC..SBendtrans-90.6148.1157.5-64.8-32000107.3N429 S431 Y474 V475N429-D471 PolarHBondContact ND2-OD1 2.02Å; N429-D471 PolarHBondContact OD1-N 2.98Å; S431-D471 WeakPolarHBondContact CB-OD2 3.46Å; S431-D471 PolarHBondContact OG-OD2 3.43Å; D471-Y474 HydrophobicContact CB-CD2 3.83Å; D471-Y474 HydrophobicContact CB-CE2 4.27Å; D471-Y474 WeakPolarHBondContact O-CB 3.49Å; D471-Y474 WeakPolarHBondContact O-CD2 3.46Å; D471-Y474 PolarHBondContact O-N 3.32Å; D471-V475 WeakPolarHBondContact O-CG2 3.41Å
472F70.7Confident68.8Low44 Ų4436.6 Ų36.619%0.19319%0.193CC..THydrogen-bonded Turntrans-57.6141.8178.9-170.8-100.6000111.8H72 E75 Y474 T508H72-F472 HydrophobicContact CB-CB 3.74Å; H72-F472 HydrophobicContact CB-CD1 4.06Å; H72-F472 HydrophobicContact CB-CG 3.95Å; E75-F472 VanDerWaalsContact CD-CE1 3.45Å; E75-F472 WeakPolarHBondContact OE1-CE1 3.32Å; E75-F472 WeakPolarHBondContact OE1-CZ 3.45Å; E75-F472 WeakPolarHBondContact OE2-CE1 3.49Å; E75-F472 WeakPolarHBondContact OE2-CZ 3.19Å; F472-Y474 VanDerWaalsContact C-N 3.28Å; F472-Y474 VanDerWaalsContact O-CD2 3.31Å; F472-Y474 WeakPolarHBondContact O-CD2 3.39Å; F472-Y474 PolarHBondContact O-N 3.08Å; F472-T508 HydrophobicContact CD1-CG2 3.58Å; F472-T508 HydrophobicContact CE1-CG2 4.28Å; F472-T508 WeakPolarHBondContact O-CG2 3.15Å
473G84.5Confident69.8Low12 Ų1236.8 Ų36.812%0.12419%0.193CC..THydrogen-bonded Turntrans86.3-21-16900000114.7V496G473-V496 WeakPolarHBondContact O-CG2 3.5Å
474Y91.5Very high71Confident7 Ų735.9 Ų35.93%0.02719%0.187CC..THydrogen-bonded Turntrans-106.8-8.5179.5-53-97.6000113.1I430 S432 D471 F472 A476 Y492 S493 V496 V497 E500 A507I430-Y474 WeakPolarHBondContact O-CB 3.41Å; S432-Y474 PolarHBondContact OG-OH 3.32Å; D471-Y474 HydrophobicContact CB-CD2 3.83Å; D471-Y474 HydrophobicContact CB-CE2 4.27Å; D471-Y474 WeakPolarHBondContact O-CB 3.49Å; D471-Y474 WeakPolarHBondContact O-CD2 3.46Å; D471-Y474 PolarHBondContact O-N 3.32Å; F472-Y474 VanDerWaalsContact C-N 3.28Å; F472-Y474 VanDerWaalsContact O-CD2 3.31Å; F472-Y474 WeakPolarHBondContact O-CD2 3.39Å; F472-Y474 PolarHBondContact O-N 3.08Å; Y474-A476 PolarHBondContact O-N 3.03Å; Y474-Y492 WeakPolarHBondContact O-CD1 3.17Å; Y474-S493 WeakPolarHBondContact O-CA 3.42Å; Y474-S493 WeakPolarHBondContact O-CB 3.42Å; Y474-S493 PolarHBondContact O-OG 3.3Å; Y474-V496 HydrophobicContact CD1-CB 3.75Å; Y474-V496 HydrophobicContact CD1-CG1 3.57Å; Y474-V496 HydrophobicContact CE1-CB 4.25Å; Y474-V496 HydrophobicContact CE1-CG1 3.72Å; Y474-V496 HydrophobicContact CG-CB 4.49Å; Y474-V496 HydrophobicContact CG-CG1 4.21Å; Y474-V497 HydrophobicContact CD1-CG2 4.14Å; Y474-V497 HydrophobicContact CE1-CG2 3.87Å; Y474-E500 WeakPolarHBondContact CE1-OE2 3.42Å; Y474-E500 PolarHBondContact OH-OE1 3.48Å; Y474-E500 VanDerWaalsContact OH-OE1 3.04Å; Y474-E500 PolarHBondContact OH-OE2 3.43Å; Y474-A507 HydrophobicContact CD2-CB 4.19Å; Y474-A507 HydrophobicContact CE1-CB 4Å; Y474-A507 HydrophobicContact CE2-CB 3.57Å; Y474-A507 VanDerWaalsContact CZ-CB 3.47Å
475V87.8Confident72.5Confident38 Ų3831.5 Ų31.523%0.2317%0.168CC..SBendtrans-71.5123.2-176.1-177.40000110.5F469 D471 Y479 Y492F469-V475 HydrophobicContact CB-CG1 3.81Å; F469-V475 HydrophobicContact CB-CG2 4.4Å; F469-V475 WeakPolarHBondContact O-CG2 3.29Å; D471-V475 WeakPolarHBondContact O-CG2 3.41Å; V475-Y479 HydrophobicContact CG1-CD2 4.1Å; V475-Y492 VanDerWaalsContact O-CE1 3.28Å; V475-Y492 WeakPolarHBondContact O-CE1 3.4Å
476A88.8Confident74.1Confident0 Ų033.1 Ų33.10%018%0.178CC..  trans-62134.5175.600000111Y474 E478 Y479 Y492Y474-A476 PolarHBondContact O-N 3.03Å; A476-E478 WeakPolarHBondContact CB-OE1 3.46Å; A476-E478 WeakPolarHBondContact CB-OE2 3.02Å; A476-E478 PolarHBondContact O-N 3.22Å; A476-E478 VanDerWaalsContact O-N 3.08Å; A476-Y479 HydrophobicContact CB-CD1 4.41Å; A476-Y479 HydrophobicContact CB-CD2 4.15Å; A476-Y479 HydrophobicContact CB-CE2 4.35Å; A476-Y479 HydrophobicContact CB-CG 4.25Å; A476-Y479 WeakPolarHBondContact O-CB 3.44Å; A476-Y479 PolarHBondContact O-N 3.13Å; A476-Y492 VanDerWaalsContact CA-CD1 3.45Å; A476-Y492 HydrophobicContact CB-CD1 3.95Å; A476-Y492 HydrophobicContact CB-CG 3.91Å
477P87.8Confident75.8Confident54 Ų5434.7 Ų34.735%0.35119%0.188SC..Hα-helixtrans-60.7-26.3-172.222.6-34000113.4Y479 S480 Y492 P570P477-Y479 VanDerWaalsContact C-N 3.3Å; P477-Y479 PolarHBondContact O-N 3.49Å; P477-S480 PolarHBondContact O-OG 3.46Å; P477-Y492 HydrophobicContact CG-CE2 4.35Å; P477-P570 HydrophobicContact CG-CB 4.39Å
478E81.6Confident77.7Confident22 Ų2237 Ų3710%0.10320%0.198CC..Hα-helixtrans-73.3-16.9177.568.8-86.6-160.900114.5A476 R481 T482 A573 R576A476-E478 WeakPolarHBondContact CB-OE1 3.46Å; A476-E478 WeakPolarHBondContact CB-OE2 3.02Å; A476-E478 PolarHBondContact O-N 3.22Å; A476-E478 VanDerWaalsContact O-N 3.08Å; E478-R481 PolarHBondContact O-N 2.86Å; E478-T482 WeakPolarHBondContact O-CB 3.19Å; E478-T482 WeakPolarHBondContact O-CG2 3.48Å; E478-T482 PolarHBondContact O-N 3.27Å; E478-T482 PolarHBondContact O-OG1 3Å; E478-A573 HydrophobicContact CG-CB 4.32Å; E478-A573 WeakPolarHBondContact OE1-CB 3.45Å; E478-R576 VanDerWaalsContact CD-NH1 3.34Å; E478-R576 IonicContact OE1-CZ 2.79Å; E478-R576 IonicContact OE1-NH1 2.8Å; E478-R576 PolarHBondContact OE1-NH1 3.4Å; E478-R576 IonicContact OE1-NH2 2.65Å; E478-R576 IonicContact OE2-CZ 2.74Å; E478-R576 IonicContact OE2-NH1 2.7Å; E478-R576 PolarHBondContact OE2-NH1 2.85Å; E478-R576 IonicContact OE2-NH2 2.8Å; E478-R576 PolarHBondContact OE2-NH2 3.07Å
479Y78.2Confident79.2Confident1 Ų134.9 Ų34.90%0.00419%0.189CC..Hα-helixtrans-68.6-36.7-177.1-76.8-7.5000112.4F469 V475 A476 P477 R481 M483 V484 T486 G489F469-Y479 HydrophobicContact CB-CD2 3.72Å; F469-Y479 HydrophobicContact CB-CE2 4.46Å; F469-Y479 HydrophobicContact CB-CG 4.41Å; F469-Y479 HydrophobicContact CD1-CD1 4.16Å; F469-Y479 AromaticContact CD1-CD2 3.02Å; F469-Y479 HydrophobicContact CD1-CD2 3.02Å; F469-Y479 HydrophobicContact CD1-CE1 4.47Å; F469-Y479 AromaticContact CD1-CE2 3.37Å; F469-Y479 HydrophobicContact CD1-CE2 3.37Å; F469-Y479 AromaticContact CD1-CG 3.42Å; F469-Y479 HydrophobicContact CD1-CG 3.42Å; F469-Y479 VanDerWaalsContact CD1-CG 3.42Å; F469-Y479 HydrophobicContact CD2-CD2 4.36Å; F469-Y479 HydrophobicContact CD2-CG 4.28Å; F469-Y479 AromaticContact CE1-CD1 3.9Å; F469-Y479 HydrophobicContact CE1-CD1 3.9Å; F469-Y479 AromaticContact CE1-CD2 3.64Å; F469-Y479 HydrophobicContact CE1-CD2 3.64Å; F469-Y479 HydrophobicContact CE1-CE1 4.21Å; F469-Y479 AromaticContact CE1-CE2 3.9Å; F469-Y479 HydrophobicContact CE1-CE2 3.9Å; F469-Y479 AromaticContact CE1-CG 3.58Å; F469-Y479 HydrophobicContact CE1-CG 3.58Å; F469-Y479 HydrophobicContact CE2-CG 4.43Å; F469-Y479 AromaticContact CG-CD2 3.45Å; F469-Y479 HydrophobicContact CG-CD2 3.45Å; F469-Y479 VanDerWaalsContact CG-CD2 3.45Å; F469-Y479 HydrophobicContact CG-CE2 4.2Å; F469-Y479 AromaticContact CG-CG 3.78Å; F469-Y479 HydrophobicContact CG-CG 3.78Å; F469-Y479 HydrophobicContact CZ-CD1 4.42Å; F469-Y479 HydrophobicContact CZ-CG 4.1Å; V475-Y479 HydrophobicContact CG1-CD2 4.1Å; A476-Y479 HydrophobicContact CB-CD1 4.41Å; A476-Y479 HydrophobicContact CB-CD2 4.15Å; A476-Y479 HydrophobicContact CB-CE2 4.35Å; A476-Y479 HydrophobicContact CB-CG 4.25Å; A476-Y479 WeakPolarHBondContact O-CB 3.44Å; A476-Y479 PolarHBondContact O-N 3.13Å; P477-Y479 VanDerWaalsContact C-N 3.3Å; P477-Y479 PolarHBondContact O-N 3.49Å; Y479-R481 PolarHBondContact O-N 3.22Å; Y479-M483 WeakPolarHBondContact O-CA 3.33Å; Y479-M483 PolarHBondContact O-N 2.97Å; Y479-V484 VanDerWaalsContact CD1-O 3.23Å; Y479-V484 WeakPolarHBondContact CD1-O 3.49Å; Y479-V484 WeakPolarHBondContact CE1-O 3.21Å; Y479-T486 PolarHBondContact OH-N 3.16Å; Y479-T486 PolarHBondContact OH-O 3.45Å; Y479-T486 VanDerWaalsContact OH-O 3.1Å; Y479-G489 WeakPolarHBondContact OH-CA 3.49Å
480S72.4Confident80.8Confident94 Ų9434.5 Ų34.566%0.65719%0.187SC*.Hα-helixtrans-62.1-32.8175.560.50000112.6P477P477-S480 PolarHBondContact O-OG 3.46Å
481R71.2Confident82.1Confident192 Ų19234.2 Ų34.273%0.72518%0.184SC*.Hα-helixtrans-87-42.5-179.4-176172.161.684-1.2113.2E478 Y479E478-R481 PolarHBondContact O-N 2.86Å; Y479-R481 PolarHBondContact O-N 3.22Å
482T71.9Confident83.1Confident42 Ų4233.4 Ų33.426%0.25818%0.178SC..Hα-helixtrans-93-30.3-171.161.80000112.7E478 V484E478-T482 WeakPolarHBondContact O-CB 3.19Å; E478-T482 WeakPolarHBondContact O-CG2 3.48Å; E478-T482 PolarHBondContact O-N 3.27Å; E478-T482 PolarHBondContact O-OG1 3Å; T482-V484 VanDerWaalsContact O-CG2 3.31Å; T482-V484 WeakPolarHBondContact O-CG2 2.99Å; T482-V484 PolarHBondContact O-N 3.36Å; T482-V484 PolarHBondContact OG1-N 3.48Å
483M69.6Low84.3Confident16 Ų1631.4 Ų31.48%0.07917%0.169CC..  trans53.430.8-168.3-56.9-76.3-9500112.7T128 F150 F464 V465 F469 Y479T128-M483 HydrophobicContact CG2-CE 3.83Å; F150-M483 HydrophobicContact CD1-CE 4.15Å; F150-M483 HydrophobicContact CD1-CG 3.96Å; F150-M483 HydrophobicContact CE1-CG 3.73Å; F464-M483 WeakPolarHBondContact CA-O 2.98Å; V465-M483 PolarHBondContact N-O 3.39Å; F469-M483 HydrophobicContact CD2-SD 4.47Å; F469-M483 HydrophobicContact CE2-CB 4.33Å; F469-M483 HydrophobicContact CE2-SD 3.77Å; Y479-M483 WeakPolarHBondContact O-CA 3.33Å; Y479-M483 PolarHBondContact O-N 2.97Å
484V72.3Confident85Confident35 Ų3530.8 Ų30.821%0.21216%0.164CC..BIsolated β-bridgetrans-120.6117.4-176.8175.10000109.9T463 F464 Y479 T482 T486T463-V484 CarbonylContact O-C 3.48Å; T463-V484 WeakPolarHBondContact O-CA 3.35Å; F464-V484 HydrophobicContact CD1-CG2 3.73Å; F464-V484 HydrophobicContact CE1-CG2 3.63Å; Y479-V484 VanDerWaalsContact CD1-O 3.23Å; Y479-V484 WeakPolarHBondContact CD1-O 3.49Å; Y479-V484 WeakPolarHBondContact CE1-O 3.21Å; T482-V484 VanDerWaalsContact O-CG2 3.31Å; T482-V484 WeakPolarHBondContact O-CG2 2.99Å; T482-V484 PolarHBondContact O-N 3.36Å; T482-V484 PolarHBondContact OG1-N 3.48Å; V484-T486 HydrophobicContact CG1-CG2 4.09Å
485A79.8Confident85.3Confident1 Ų130.5 Ų30.51%0.00816%0.162CC..  trans-70.9134.1171.300000111.3I426 R428 T463 V465 F469I426-A485 HydrophobicContact CG2-CB 4.5Å; R428-A485 HydrophobicContact CG-CB 3.8Å; T463-A485 PolarHBondContact O-N 2.84Å; V465-A485 HydrophobicContact CG2-CB 3.93Å; F469-A485 HydrophobicContact CE1-CB 4.26Å
486T84.3Confident85.8Confident41 Ų4128.7 Ų28.725%0.25215%0.151SC..  trans-138.3155.1-179.768.90000110.8Y479 V484 K488 G489 D490Y479-T486 PolarHBondContact OH-N 3.16Å; Y479-T486 PolarHBondContact OH-O 3.45Å; Y479-T486 VanDerWaalsContact OH-O 3.1Å; V484-T486 HydrophobicContact CG1-CG2 4.09Å; T486-K488 PolarHBondContact O-N 2.69Å; T486-K488 PolarHBondContact OG1-N 2.83Å; T486-G489 PolarHBondContact O-N 2.89Å; T486-G489 PolarHBondContact OG1-N 2.95Å; T486-G489 VanDerWaalsContact OG1-N 3.1Å; T486-D490 PolarHBondContact O-N 2.93Å
487P87Confident86.2Confident37 Ų3728.7 Ų28.724%0.2415%0.152CC..Hα-helixtrans-56.1-30.8170.4-25.235.2000112.9I426 G489 D490 V491I426-P487 HydrophobicContact CD1-CG 4.25Å; I426-P487 HydrophobicContact CG1-CG 4.27Å; P487-G489 VanDerWaalsContact C-N 3.32Å; P487-G489 PolarHBondContact O-N 3.14Å; P487-D490 WeakPolarHBondContact O-CB 3.4Å; P487-D490 PolarHBondContact O-N 3.07Å; P487-V491 WeakPolarHBondContact O-CG2 3.39Å; P487-V491 PolarHBondContact O-N 3.22Å
488K90.3Very high86.8Confident48 Ų4826.1 Ų26.121%0.20914%0.135CC..Hα-helixtrans-72-23.6177.8-63.2-66.4-179.1176.40113.6T486 Y492 A573 R576 P577T486-K488 PolarHBondContact O-N 2.69Å; T486-K488 PolarHBondContact OG1-N 2.83Å; K488-Y492 PolarHBondContact O-N 3.15Å; K488-Y492 VanDerWaalsContact O-N 3.14Å; K488-A573 HydrophobicContact CB-CB 4.38Å; K488-A573 WeakPolarHBondContact CD-O 3.3Å; K488-A573 WeakPolarHBondContact CG-O 3.38Å; K488-R576 HydrophobicContact CD-CB 4.22Å; K488-R576 PolarHBondContact NZ-O 3.38Å; K488-R576 PolarHBondContact O-NH1 3.22Å; K488-P577 PolarHBondContact NZ-O 3.26Å
489G91Very high87.5Confident0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-74.1-38.4169.800000111.9Y479 T486 P487 V491 Y492 S493Y479-G489 WeakPolarHBondContact OH-CA 3.49Å; T486-G489 PolarHBondContact O-N 2.89Å; T486-G489 PolarHBondContact OG1-N 2.95Å; T486-G489 VanDerWaalsContact OG1-N 3.1Å; P487-G489 VanDerWaalsContact C-N 3.32Å; P487-G489 PolarHBondContact O-N 3.14Å; G489-V491 VanDerWaalsContact C-N 3.3Å; G489-V491 PolarHBondContact O-N 3.37Å; G489-Y492 WeakPolarHBondContact O-CB 3.19Å; G489-Y492 PolarHBondContact O-N 3.47Å; G489-S493 PolarHBondContact O-N 2.96Å; G489-S493 PolarHBondContact O-OG 3.02Å; G489-S493 VanDerWaalsContact O-OG 3.09Å
490D92.9Very high88.5Confident0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-61.5-38.2170.2-79.8-3.6000111.6H418 I426 H427 R428 T486 P487 S493 F494H418-D490 IonicContact CD2-OD2 2.71Å; H418-D490 VanDerWaalsContact CE1-CB 3.49Å; H418-D490 WeakPolarHBondContact CE1-CB 3.37Å; H418-D490 IonicContact CE1-OD2 3.9Å; H418-D490 IonicContact NE2-OD2 3.06Å; H418-D490 PolarHBondContact NE2-OD2 2.97Å; I426-D490 WeakPolarHBondContact CG2-OD2 3.46Å; H427-D490 PolarHBondContact N-OD2 2.73Å; R428-D490 WeakPolarHBondContact CA-OD1 3.46Å; R428-D490 PolarHBondContact N-OD1 3.09Å; T486-D490 PolarHBondContact O-N 2.93Å; P487-D490 WeakPolarHBondContact O-CB 3.4Å; P487-D490 PolarHBondContact O-N 3.07Å; D490-S493 PolarHBondContact O-N 3.25Å; D490-F494 WeakPolarHBondContact O-CB 3.5Å; D490-F494 PolarHBondContact O-N 3.47Å
491V96Very high89.7Confident1 Ų120.7 Ų20.71%0.00610%0.099CC..Hα-helixtrans-61-44.1174.1173.20000111.1P487 G489 F494 G495 C567 R576 P577 M579P487-V491 WeakPolarHBondContact O-CG2 3.39Å; P487-V491 PolarHBondContact O-N 3.22Å; G489-V491 VanDerWaalsContact C-N 3.3Å; G489-V491 PolarHBondContact O-N 3.37Å; V491-F494 PolarHBondContact O-N 3.46Å; V491-G495 PolarHBondContact O-N 2.91Å; V491-C567 HydrophobicContact CG1-CB 3.92Å; V491-R576 HydrophobicContact CG1-CB 4.06Å; V491-P577 HydrophobicContact CG1-CG 4.31Å; V491-P577 WeakPolarHBondContact CG2-O 3.4Å; V491-M579 HydrophobicContact CB-SD 4.27Å; V491-M579 HydrophobicContact CG2-CG 3.72Å; V491-M579 HydrophobicContact CG2-SD 3.7Å
492Y96.5Very high90.9Very high17 Ų1711.6 Ų11.67%0.0677%0.065CC..Hα-helixtrans-60-50.8175.1178.5-82.8000111.1Y474 V475 A476 P477 K488 G489 F494 G495 V496 C567 V568Y474-Y492 WeakPolarHBondContact O-CD1 3.17Å; V475-Y492 VanDerWaalsContact O-CE1 3.28Å; V475-Y492 WeakPolarHBondContact O-CE1 3.4Å; A476-Y492 VanDerWaalsContact CA-CD1 3.45Å; A476-Y492 HydrophobicContact CB-CD1 3.95Å; A476-Y492 HydrophobicContact CB-CG 3.91Å; P477-Y492 HydrophobicContact CG-CE2 4.35Å; K488-Y492 PolarHBondContact O-N 3.15Å; K488-Y492 VanDerWaalsContact O-N 3.14Å; G489-Y492 WeakPolarHBondContact O-CB 3.19Å; G489-Y492 PolarHBondContact O-N 3.47Å; Y492-F494 VanDerWaalsContact C-N 3.29Å; Y492-F494 PolarHBondContact O-N 3.4Å; Y492-G495 WeakPolarHBondContact O-CA 3.38Å; Y492-G495 PolarHBondContact O-N 3.31Å; Y492-V496 HydrophobicContact CD1-CG2 4.3Å; Y492-V496 HydrophobicContact CE1-CG2 3.94Å; Y492-V496 PolarHBondContact O-N 2.7Å; Y492-C567 WeakPolarHBondContact CA-O 3.46Å; Y492-V568 HydrophobicContact CD2-CB 4.13Å; Y492-V568 HydrophobicContact CD2-CG1 4.49Å; Y492-V568 HydrophobicContact CE2-CB 3.96Å; Y492-V568 HydrophobicContact CE2-CG1 4.49Å; Y492-V568 WeakPolarHBondContact CE2-O 3.48Å
493S95.6Very high92Very high1 Ų19.7 Ų9.71%0.0075%0.053CC..Hα-helixtrans-58.2-40.4178.8-58.80000112.3I430 Y474 G489 D490 V496 V497I430-S493 WeakPolarHBondContact O-CB 3.45Å; Y474-S493 WeakPolarHBondContact O-CA 3.42Å; Y474-S493 WeakPolarHBondContact O-CB 3.42Å; Y474-S493 PolarHBondContact O-OG 3.3Å; G489-S493 PolarHBondContact O-N 2.96Å; G489-S493 PolarHBondContact O-OG 3.02Å; G489-S493 VanDerWaalsContact O-OG 3.09Å; D490-S493 PolarHBondContact O-N 3.25Å; S493-V496 PolarHBondContact O-N 2.59Å; S493-V497 PolarHBondContact O-N 3.39Å
494F98Very high93.1Very high0 Ų09.9 Ų9.90%06%0.059CC..Hα-helixtrans-69.2-35.7174-177.3-111.9000112.7A407 T410 A411 L414 I430 D490 V491 Y492 V496 V497 L498 M579 V582 L586A407-F494 WeakPolarHBondContact O-CZ 3.4Å; T410-F494 HydrophobicContact CG2-CD2 3.86Å; T410-F494 HydrophobicContact CG2-CE2 3.47Å; T410-F494 VanDerWaalsContact CG2-CE2 3.47Å; T410-F494 HydrophobicContact CG2-CZ 4.48Å; A411-F494 HydrophobicContact CB-CE1 3.78Å; A411-F494 HydrophobicContact CB-CZ 3.77Å; L414-F494 HydrophobicContact CD1-CB 3.89Å; L414-F494 HydrophobicContact CD1-CD2 3.76Å; L414-F494 HydrophobicContact CD1-CG 3.85Å; I430-F494 HydrophobicContact CG2-CB 4.2Å; D490-F494 WeakPolarHBondContact O-CB 3.5Å; D490-F494 PolarHBondContact O-N 3.47Å; V491-F494 PolarHBondContact O-N 3.46Å; Y492-F494 VanDerWaalsContact C-N 3.29Å; Y492-F494 PolarHBondContact O-N 3.4Å; F494-V496 PolarHBondContact O-N 2.94Å; F494-V497 HydrophobicContact CD2-CB 4.35Å; F494-V497 WeakPolarHBondContact O-CA 3.39Å; F494-V497 WeakPolarHBondContact O-CB 3.49Å; F494-V497 PolarHBondContact O-N 3.44Å; F494-V497 VanDerWaalsContact O-N 3.07Å; F494-L498 HydrophobicContact CD1-CD1 4.11Å; F494-L498 HydrophobicContact CD1-CG 4.18Å; F494-L498 HydrophobicContact CE1-CD1 3.74Å; F494-L498 HydrophobicContact CE1-CD2 3.85Å; F494-L498 HydrophobicContact CE1-CG 3.75Å; F494-L498 HydrophobicContact CE2-CD2 4.4Å; F494-L498 HydrophobicContact CZ-CD1 4.4Å; F494-L498 HydrophobicContact CZ-CD2 3.66Å; F494-L498 HydrophobicContact CZ-CG 3.96Å; F494-L498 PolarHBondContact O-N 3.48Å; F494-M579 HydrophobicContact CB-CE 4.27Å; F494-M579 HydrophobicContact CB-SD 4.1Å; F494-M579 HydrophobicContact CD1-CE 3.36Å; F494-M579 HydrophobicContact CD1-SD 3.95Å; F494-M579 HydrophobicContact CE1-CE 3.77Å; F494-M579 HydrophobicContact CG-CE 3.79Å; F494-M579 HydrophobicContact CG-SD 4.24Å; F494-V582 HydrophobicContact CD1-CG1 3.98Å; F494-V582 HydrophobicContact CE1-CG1 3.63Å; F494-L586 HydrophobicContact CE1-CD1 4Å; F494-L586 HydrophobicContact CZ-CD1 4.18Å
495G98.3Very high94.1Very high0 Ų09.7 Ų9.70%06%0.056CC..Hα-helixtrans-55.8-40.8171.700000112.3V491 Y492 L498 L499 C567V491-G495 PolarHBondContact O-N 2.91Å; Y492-G495 WeakPolarHBondContact O-CA 3.38Å; Y492-G495 PolarHBondContact O-N 3.31Å; G495-L498 WeakPolarHBondContact O-CB 3.44Å; G495-L498 PolarHBondContact O-N 3.23Å; G495-L499 WeakPolarHBondContact O-CG 3.44Å; G495-L499 PolarHBondContact O-N 3.4Å; G495-C567 VanDerWaalsContact CA-CB 3.45Å
496V98.1Very high94.7Very high0 Ų013.5 Ų13.50%07%0.072CC..Hα-helixtrans-63.2-42.6173.8-179.90000111.4G473 Y474 Y492 S493 F494 L498 L499 E500 A507 V528 V568G473-V496 WeakPolarHBondContact O-CG2 3.5Å; Y474-V496 HydrophobicContact CD1-CB 3.75Å; Y474-V496 HydrophobicContact CD1-CG1 3.57Å; Y474-V496 HydrophobicContact CE1-CB 4.25Å; Y474-V496 HydrophobicContact CE1-CG1 3.72Å; Y474-V496 HydrophobicContact CG-CB 4.49Å; Y474-V496 HydrophobicContact CG-CG1 4.21Å; Y492-V496 HydrophobicContact CD1-CG2 4.3Å; Y492-V496 HydrophobicContact CE1-CG2 3.94Å; Y492-V496 PolarHBondContact O-N 2.7Å; S493-V496 PolarHBondContact O-N 2.59Å; F494-V496 PolarHBondContact O-N 2.94Å; V496-L498 VanDerWaalsContact C-N 3.3Å; V496-L498 PolarHBondContact O-N 2.91Å; V496-L499 WeakPolarHBondContact O-CA 3.42Å; V496-L499 WeakPolarHBondContact O-CB 3.41Å; V496-L499 PolarHBondContact O-N 3.31Å; V496-L499 VanDerWaalsContact O-N 3.09Å; V496-E500 WeakPolarHBondContact O-CG 3.33Å; V496-E500 PolarHBondContact O-N 3.18Å; V496-A507 HydrophobicContact CG1-CB 3.53Å; V496-V528 HydrophobicContact CG2-CG2 3.69Å; V496-V568 HydrophobicContact CG2-CG1 3.99Å
497V98.4Very high95.1Very high1 Ų111.7 Ų11.71%0.0066%0.061CC..Hα-helixtrans-59.8-40.3173.8176.30000111.7L383 I430 I435 Y474 S493 F494 L499 E500 L501L383-V497 HydrophobicContact CD2-CG1 4Å; I430-V497 HydrophobicContact CG2-CG2 4.25Å; I435-V497 HydrophobicContact CD1-CG1 3.7Å; I435-V497 HydrophobicContact CD1-CG2 4.36Å; Y474-V497 HydrophobicContact CD1-CG2 4.14Å; Y474-V497 HydrophobicContact CE1-CG2 3.87Å; S493-V497 PolarHBondContact O-N 3.39Å; F494-V497 HydrophobicContact CD2-CB 4.35Å; F494-V497 WeakPolarHBondContact O-CA 3.39Å; F494-V497 WeakPolarHBondContact O-CB 3.49Å; F494-V497 PolarHBondContact O-N 3.44Å; F494-V497 VanDerWaalsContact O-N 3.07Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 2.97Å; V497-E500 PolarHBondContact O-N 3.2Å; V497-L501 HydrophobicContact CG1-CD1 4.2Å; V497-L501 WeakPolarHBondContact O-CG 3.34Å; V497-L501 PolarHBondContact O-N 2.7Å
498L98.6Very high95Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-63.1-38.9174.4-66.8178.2000111.8A407 F494 G495 V496 L501 V502 V560 V563 A564 V582 L586A407-L498 HydrophobicContact CB-CD2 3.63Å; F494-L498 HydrophobicContact CD1-CD1 4.11Å; F494-L498 HydrophobicContact CD1-CG 4.18Å; F494-L498 HydrophobicContact CE1-CD1 3.74Å; F494-L498 HydrophobicContact CE1-CD2 3.85Å; F494-L498 HydrophobicContact CE1-CG 3.75Å; F494-L498 HydrophobicContact CE2-CD2 4.4Å; F494-L498 HydrophobicContact CZ-CD1 4.4Å; F494-L498 HydrophobicContact CZ-CD2 3.66Å; F494-L498 HydrophobicContact CZ-CG 3.96Å; F494-L498 PolarHBondContact O-N 3.48Å; G495-L498 WeakPolarHBondContact O-CB 3.44Å; G495-L498 PolarHBondContact O-N 3.23Å; V496-L498 VanDerWaalsContact C-N 3.3Å; V496-L498 PolarHBondContact O-N 2.91Å; L498-L501 HydrophobicContact CD2-CD1 4.43Å; L498-L501 PolarHBondContact O-N 3.38Å; L498-V502 WeakPolarHBondContact O-CG2 3.24Å; L498-V502 PolarHBondContact O-N 3.46Å; L498-V560 HydrophobicContact CD2-CG1 4.36Å; L498-V563 HydrophobicContact CD1-CG1 4.15Å; L498-A564 HydrophobicContact CB-CB 3.57Å; L498-A564 HydrophobicContact CD1-CB 4.23Å; L498-V582 HydrophobicContact CD1-CG1 4.39Å; L498-L586 HydrophobicContact CD1-CD1 4.36Å; L498-L586 HydrophobicContact CD2-CD1 3.98Å; L498-L586 HydrophobicContact CD2-CD2 4.35Å
499L98.3Very high94.7Very high0 Ų011.2 Ų11.20%06%0.064CC..Hα-helixtrans-63-43.5173.7-65.2176.4000111.1G495 V496 V497 L501 V502 T503 L527 V528 I531 L561 A564 V568G495-L499 WeakPolarHBondContact O-CG 3.44Å; G495-L499 PolarHBondContact O-N 3.4Å; V496-L499 WeakPolarHBondContact O-CA 3.42Å; V496-L499 WeakPolarHBondContact O-CB 3.41Å; V496-L499 PolarHBondContact O-N 3.31Å; V496-L499 VanDerWaalsContact O-N 3.09Å; V497-L499 VanDerWaalsContact C-N 3.32Å; V497-L499 PolarHBondContact O-N 2.97Å; L499-L501 VanDerWaalsContact C-N 3.33Å; L499-L501 PolarHBondContact O-N 3.44Å; L499-V502 PolarHBondContact O-N 3.3Å; L499-T503 VanDerWaalsContact O-CB 3.29Å; L499-T503 WeakPolarHBondContact O-CB 3.29Å; L499-T503 WeakPolarHBondContact O-CG2 3.41Å; L499-T503 PolarHBondContact O-N 3.17Å; L499-T503 PolarHBondContact O-OG1 2.84Å; L499-L527 HydrophobicContact CB-CD2 3.63Å; L499-L527 HydrophobicContact CB-CG 3.98Å; L499-L527 HydrophobicContact CD1-CG 4.33Å; L499-V528 HydrophobicContact CD1-CG2 4.06Å; L499-I531 HydrophobicContact CD1-CB 4.48Å; L499-I531 HydrophobicContact CD1-CG1 4.03Å; L499-I531 HydrophobicContact CD2-CD1 4.22Å; L499-I531 HydrophobicContact CD2-CG1 3.94Å; L499-I531 HydrophobicContact CD2-CG2 4.29Å; L499-I531 HydrophobicContact CG-CG1 4.49Å; L499-L561 HydrophobicContact CD2-CD1 3.62Å; L499-A564 HydrophobicContact CD2-CB 3.59Å; L499-A564 HydrophobicContact CG-CB 3.99Å; L499-V568 HydrophobicContact CD1-CG1 4.12Å; L499-V568 HydrophobicContact CD1-CG2 4.16Å
500E97.5Very high94.4Very high0 Ų011.3 Ų11.30%07%0.065CC..Hα-helixtrans-60-43.9175.4-62.9-169.6108.200111.6L387 H388 S432 Y474 V496 V497 V502 T503 G504 Q505 A507 L527L387-E500 HydrophobicContact CD1-CB 4Å; H388-E500 IonicContact CD2-OE1 2.8Å; H388-E500 IonicContact NE2-OE1 3.64Å; H388-E500 PolarHBondContact NE2-OE1 2.89Å; S432-E500 WeakPolarHBondContact CB-OE2 3.46Å; S432-E500 PolarHBondContact OG-OE2 3.25Å; Y474-E500 WeakPolarHBondContact CE1-OE2 3.42Å; Y474-E500 PolarHBondContact OH-OE1 3.48Å; Y474-E500 VanDerWaalsContact OH-OE1 3.04Å; Y474-E500 PolarHBondContact OH-OE2 3.43Å; V496-E500 WeakPolarHBondContact O-CG 3.33Å; V496-E500 PolarHBondContact O-N 3.18Å; V497-E500 PolarHBondContact O-N 3.2Å; E500-V502 VanDerWaalsContact C-N 3.34Å; E500-V502 PolarHBondContact O-N 3.34Å; E500-T503 PolarHBondContact O-N 3.36Å; E500-G504 WeakPolarHBondContact O-CA 3.38Å; E500-G504 PolarHBondContact O-N 3.31Å; E500-Q505 WeakPolarHBondContact CG-O 3.3Å; E500-A507 HydrophobicContact CG-CB 4.49Å; E500-A507 PolarHBondContact OE1-N 2.85Å; E500-L527 HydrophobicContact CG-CD2 3.88Å
501L97.9Very high93.7Very high3 Ų314.9 Ų14.92%0.0169%0.087CC..Hα-helixtrans-61.4-39.8177.5-73.3166.6000112.3L383 L387 R403 I406 A407 V497 L498 L499L383-L501 HydrophobicContact CD1-CD2 4.04Å; L383-L501 HydrophobicContact CD2-CD2 4.19Å; L387-L501 HydrophobicContact CD1-CD2 4.15Å; L387-L501 HydrophobicContact CD1-CG 4.47Å; L387-L501 HydrophobicContact CD2-CD2 4.34Å; R403-L501 HydrophobicContact CB-CD2 3.95Å; R403-L501 WeakPolarHBondContact CD-O 3.35Å; R403-L501 HydrophobicContact CG-CD2 4.11Å; R403-L501 PolarHBondContact NH1-O 3.44Å; I406-L501 HydrophobicContact CG2-CD1 4.4Å; I406-L501 HydrophobicContact CG2-CD2 4.31Å; A407-L501 HydrophobicContact CB-CD1 3.92Å; V497-L501 HydrophobicContact CG1-CD1 4.2Å; V497-L501 WeakPolarHBondContact O-CG 3.34Å; V497-L501 PolarHBondContact O-N 2.7Å; L498-L501 HydrophobicContact CD2-CD1 4.43Å; L498-L501 PolarHBondContact O-N 3.38Å; L499-L501 VanDerWaalsContact C-N 3.33Å; L499-L501 PolarHBondContact O-N 3.44Å
502V97Very high92.2Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-76.1-39179.81680000112.5W400 L498 L499 E500 I544 D545 I557 V560 L561W400-V502 HydrophobicContact CH2-CG2 4.43Å; W400-V502 HydrophobicContact CZ3-CG2 4.37Å; L498-V502 WeakPolarHBondContact O-CG2 3.24Å; L498-V502 PolarHBondContact O-N 3.46Å; L499-V502 PolarHBondContact O-N 3.3Å; E500-V502 VanDerWaalsContact C-N 3.34Å; E500-V502 PolarHBondContact O-N 3.34Å; V502-I544 HydrophobicContact CG1-CG1 4.27Å; V502-D545 WeakPolarHBondContact O-CB 3.39Å; V502-D545 PolarHBondContact O-N 3.43Å; V502-I557 HydrophobicContact CG1-CG2 3.76Å; V502-I557 HydrophobicContact CG2-CG2 4.42Å; V502-V560 HydrophobicContact CG2-CB 4.22Å; V502-V560 HydrophobicContact CG2-CG1 3.78Å; V502-L561 HydrophobicContact CG1-CB 4.15Å; V502-L561 HydrophobicContact CG1-CD1 4.09Å; V502-L561 HydrophobicContact CG1-CD2 4.3Å; V502-L561 HydrophobicContact CG1-CG 4.41Å
503T95.1Very high90.1Very high3 Ų322.8 Ų22.82%0.01813%0.129CC..Hα-helixtrans-99.4-20.4-167.365.60000113.7L499 E500 Q505 L527 W530 I531 A543L499-T503 VanDerWaalsContact O-CB 3.29Å; L499-T503 WeakPolarHBondContact O-CB 3.29Å; L499-T503 WeakPolarHBondContact O-CG2 3.41Å; L499-T503 PolarHBondContact O-N 3.17Å; L499-T503 PolarHBondContact O-OG1 2.84Å; E500-T503 PolarHBondContact O-N 3.36Å; T503-Q505 PolarHBondContact O-N 3.47Å; T503-Q505 WeakPolarHBondContact OG1-CB 3.48Å; T503-Q505 PolarHBondContact OG1-N 2.74Å; T503-Q505 VanDerWaalsContact OG1-N 3.14Å; T503-L527 HydrophobicContact CG2-CD1 4.4Å; T503-W530 HydrophobicContact CG2-CZ3 4.27Å; T503-I531 HydrophobicContact CG2-CD1 4.1Å; T503-A543 WeakPolarHBondContact CA-O 3.47Å; T503-A543 VanDerWaalsContact CB-O 3.28Å; T503-A543 WeakPolarHBondContact CB-O 3.47Å; T503-A543 HydrophobicContact CG2-CB 4.08Å; T503-A543 WeakPolarHBondContact CG2-O 3.13Å
504G93.2Very high88Confident19 Ų1924.1 Ų24.120%0.19614%0.138CC..  trans66.35.7-16900000113.4H388 E500H388-G504 PolarHBondContact CE1-O 3.21Å; E500-G504 WeakPolarHBondContact O-CA 3.38Å; E500-G504 PolarHBondContact O-N 3.31Å
505Q92.7Very high85.5Confident31 Ų3132.5 Ų32.515%0.14518%0.177CC..  trans-90.7153.3-177.9-61-64.3-42.800111.1H388 E500 T503 V510 T511 L527 W530H388-Q505 PolarHBondContact CE1-O 3.02Å; H388-Q505 VanDerWaalsContact CE1-O 3.3Å; E500-Q505 WeakPolarHBondContact CG-O 3.3Å; T503-Q505 PolarHBondContact O-N 3.47Å; T503-Q505 WeakPolarHBondContact OG1-CB 3.48Å; T503-Q505 PolarHBondContact OG1-N 2.74Å; T503-Q505 VanDerWaalsContact OG1-N 3.14Å; Q505-V510 HydrophobicContact CG-CG1 4.12Å; Q505-T511 PolarHBondContact NE2-O 2.87Å; Q505-T511 PolarHBondContact OE1-O 3.01Å; Q505-T511 PolarHBondContact OE1-OG1 3.41Å; Q505-L527 HydrophobicContact CB-CD1 3.85Å; Q505-W530 HydrophobicContact CG-CZ3 4.11Å
506K92.3Very high83.1Confident81 Ų8141.4 Ų41.435%0.35222%0.219SC..  trans-73.1145.2173.6-66.7175.3179.9176.10109.9H388 T508 S509H388-K506 HydrophobicContact CB-CG 4.45Å; H388-K506 PolarHBondContact CE1-N 3.12Å; H388-K506 WeakPolarHBondContact ND1-CG 3.48Å; K506-T508 PolarHBondContact O-N 2.85Å; K506-T508 VanDerWaalsContact O-N 3.13Å; K506-S509 PolarHBondContact O-N 3.46Å; K506-S509 VanDerWaalsContact O-O 3.12Å
507A92.1Very high80.5Confident3 Ų347.4 Ų47.43%0.02525%0.245CC..SBendtrans-54-33175.600000114.3Y474 V496 E500 N526 L527Y474-A507 HydrophobicContact CD2-CB 4.19Å; Y474-A507 HydrophobicContact CE1-CB 4Å; Y474-A507 HydrophobicContact CE2-CB 3.57Å; Y474-A507 VanDerWaalsContact CZ-CB 3.47Å; V496-A507 HydrophobicContact CG1-CB 3.53Å; E500-A507 HydrophobicContact CG-CB 4.49Å; E500-A507 PolarHBondContact OE1-N 2.85Å; A507-N526 WeakPolarHBondContact O-CB 3.46Å; A507-L527 WeakPolarHBondContact O-CB 3.43Å; A507-L527 PolarHBondContact O-N 3.21Å
508T86Confident78.1Confident25 Ų2552.6 Ų52.615%0.15329%0.288CS..SBendtrans-95.9-25.5-171.5550000114.2F472 K506F472-T508 HydrophobicContact CD1-CG2 3.58Å; F472-T508 HydrophobicContact CE1-CG2 4.28Å; F472-T508 WeakPolarHBondContact O-CG2 3.15Å; K506-T508 PolarHBondContact O-N 2.85Å; K506-T508 VanDerWaalsContact O-N 3.13Å
509S84.2Confident75.4Confident50 Ų5061.6 Ų61.635%0.3533%0.33SS..  trans-145.5134.5-173.263.20000110.3K506K506-S509 PolarHBondContact O-N 3.46Å; K506-S509 VanDerWaalsContact O-O 3.12Å
510V84.1Confident73.2Confident3 Ų365.5 Ų65.52%0.01835%0.348CS..BIsolated β-bridgetrans-109.4115.4176.1-179.50000109.7Q505 F523 L527 W530Q505-V510 HydrophobicContact CG-CG1 4.12Å; V510-F523 HydrophobicContact CB-CB 4.44Å; V510-F523 HydrophobicContact CB-CD1 4.43Å; V510-F523 HydrophobicContact CG2-CD1 4.46Å; V510-L527 HydrophobicContact CG2-CB 4.49Å; V510-L527 HydrophobicContact CG2-CD1 4.05Å; V510-W530 HydrophobicContact CB-CD2 4.32Å; V510-W530 HydrophobicContact CB-CG 4.31Å; V510-W530 HydrophobicContact CG1-CD2 3.6Å; V510-W530 HydrophobicContact CG1-CE3 3.83Å; V510-W530 HydrophobicContact CG1-CG 4.01Å; V510-W530 HydrophobicContact CG1-CH2 4.14Å; V510-W530 HydrophobicContact CG1-CZ2 3.95Å; V510-W530 HydrophobicContact CG1-CZ3 4.09Å; V510-W530 HydrophobicContact CG2-CB 3.81Å; V510-W530 HydrophobicContact CG2-CD2 4.05Å; V510-W530 HydrophobicContact CG2-CE3 4.05Å; V510-W530 HydrophobicContact CG2-CG 3.97Å
511T78.6Confident71.2Confident75 Ų7572.5 Ų72.546%0.4638%0.381SS..  trans-93.9114.3173.938.90000109.2Q505 V513Q505-T511 PolarHBondContact NE2-O 2.87Å; Q505-T511 PolarHBondContact OE1-O 3.01Å; Q505-T511 PolarHBondContact OE1-OG1 3.41Å; T511-V513 PolarHBondContact O-N 2.87Å
512K63.8Low69.8Low90 Ų9076.6 Ų76.639%0.39140%0.403SS..  trans-76102.9170.1-81.6-174.8167.9-174.40108.7S514 E520K512-S514 PolarHBondContact O-N 2.8Å; K512-E520 IonicContact NZ-OE2 2.83Å; K512-E520 PolarHBondContact NZ-OE2 2.94Å
513V52.8Low68.9Low93 Ų9378.9 Ų78.956%0.56441%0.413SS*.  trans-79.372164-1710000107.8T511 R546T511-V513 PolarHBondContact O-N 2.87Å; V513-R546 PolarHBondContact O-NH1 3.37Å; V513-R546 PolarHBondContact O-NH2 2.97Å
514S50.1Low68Low30 Ų3084.9 Ų84.921%0.2144%0.439CS..  trans-94.797.1165.253.80000108.7K512 E516 K517K512-S514 PolarHBondContact O-N 2.8Å; S514-E516 PolarHBondContact O-N 3.13Å; S514-K517 PolarHBondContact O-N 2.96Å; S514-K517 PolarHBondContact OG-O 3.27Å
515E46.2Very low67.4Low175 Ų17584.6 Ų84.682%0.81844%0.436SS*.THydrogen-bonded Turntrans-51.8-25.7171.6-66.4-179.7165.900112.7
516E47.5Very low67.3Low187 Ų18784.7 Ų84.787%0.87444%0.438SS*.THydrogen-bonded Turntrans-89.5-11.6-174.7-67.1-174.1159.500115.1S514S514-E516 PolarHBondContact O-N 3.13Å
517K45Very low67.3Low127 Ų12780.9 Ų80.955%0.55242%0.421SS*.  trans-145.586.5-178.7-67.7-173.8-175.4174.30111.5S514 E519 E520S514-K517 PolarHBondContact O-N 2.96Å; S514-K517 PolarHBondContact OG-O 3.27Å; K517-E519 PolarHBondContact O-N 3Å; K517-E520 HydrophobicContact CB-CG 4.46Å; K517-E520 PolarHBondContact O-N 3.43Å
518A47.6Very low67.4Low110 Ų11081 Ų8191%0.90942%0.422SS*.THydrogen-bonded Turntrans-61.3-6.1175.800000114.8
519E42.1Very low67.7Low188 Ų18884.6 Ų84.688%0.87944%0.436SS*.THydrogen-bonded Turntrans-111.83.4-174.5-65.8-175.5173.600114.7K517 E521K517-E519 PolarHBondContact O-N 3Å; E519-E521 PolarHBondContact O-N 2.87Å
520E50.8Low68.2Low83 Ų8383.2 Ų83.239%0.38842%0.424SS..SBendtrans-73.2115.3171-84.7-170.5-170.500110K512 K517 N522K512-E520 IonicContact NZ-OE2 2.83Å; K512-E520 PolarHBondContact NZ-OE2 2.94Å; K517-E520 HydrophobicContact CB-CG 4.46Å; K517-E520 PolarHBondContact O-N 3.43Å; E520-N522 PolarHBondContact O-N 3.36Å
521E55.8Low68.7Low146 Ų14683.3 Ų83.368%0.68242%0.424SS*.PPolyproline II helixtrans-49.9129.1171.8-72.9-168.4-174.100110.2E519 F523 K524E519-E521 PolarHBondContact O-N 2.87Å; E521-F523 PolarHBondContact O-N 3.09Å; E521-K524 VanDerWaalsContact OE2-CE 3.27Å; E521-K524 WeakPolarHBondContact OE2-CE 3.36Å; E521-K524 IonicContact OE2-NZ 3.14Å; E521-K524 PolarHBondContact OE2-NZ 3Å
522N67.8Low69.3Low90 Ų9083.2 Ų83.248%0.48142%0.423SS..PPolyproline II helixtrans-51.9140.9171.7-81.8-28.9000110.1E520 K524E520-N522 PolarHBondContact O-N 3.36Å; N522-K524 PolarHBondContact O-N 2.71Å; N522-K524 VanDerWaalsContact O-N 3.15Å
523F78.3Confident70.7Confident47 Ų4783.3 Ų83.321%0.20642%0.424CS..BIsolated β-bridgetrans-61.9120.3176.8178.8-101.9000109.2V510 E521 G525 N526 E529 W530 K533V510-F523 HydrophobicContact CB-CB 4.44Å; V510-F523 HydrophobicContact CB-CD1 4.43Å; V510-F523 HydrophobicContact CG2-CD1 4.46Å; E521-F523 PolarHBondContact O-N 3.09Å; F523-G525 VanDerWaalsContact CD1-O 3.3Å; F523-G525 WeakPolarHBondContact CD1-O 3.43Å; F523-G525 WeakPolarHBondContact CE1-O 3.39Å; F523-G525 PolarHBondContact O-N 2.99Å; F523-N526 WeakPolarHBondContact CE1-O 3.35Å; F523-E529 HydrophobicContact CE1-CB 3.97Å; F523-E529 HydrophobicContact CZ-CB 3.85Å; F523-W530 HydrophobicContact CD1-CB 3.6Å; F523-W530 AromaticContact CD1-CD1 3.92Å; F523-W530 HydrophobicContact CD1-CG 4.06Å; F523-W530 AromaticContact CD2-CD1 4Å; F523-W530 VanDerWaalsContact CE1-CA 3.48Å; F523-W530 HydrophobicContact CE1-CB 3.48Å; F523-W530 VanDerWaalsContact CE1-CB 3.48Å; F523-W530 HydrophobicContact CE1-CG 4.33Å; F523-W530 VanDerWaalsContact CE1-N 3.3Å; F523-W530 HydrophobicContact CG-CB 4.28Å; F523-W530 AromaticContact CG-CD1 3.71Å; F523-W530 HydrophobicContact CG-CG 4.3Å; F523-W530 HydrophobicContact CZ-CB 4.08Å; F523-K533 HydrophobicContact CD2-CD 4.27Å; F523-K533 HydrophobicContact CE2-CD 3.84Å
524K76.9Confident72.6Confident129 Ų12979.4 Ų79.456%0.56140%0.399SS*.  trans-81.26.1-172.9-63.3-178.2-177162.10114.4L21 E521 N522L21-K524 HydrophobicContact CD2-CD 3.78Å; E521-K524 VanDerWaalsContact OE2-CE 3.27Å; E521-K524 WeakPolarHBondContact OE2-CE 3.36Å; E521-K524 IonicContact OE2-NZ 3.14Å; E521-K524 PolarHBondContact OE2-NZ 3Å; N522-K524 PolarHBondContact O-N 2.71Å; N522-K524 VanDerWaalsContact O-N 3.15Å
525G81.6Confident74.6Confident13 Ų1381 Ų8113%0.13441%0.411CS..SBendtrans-110177.8178.700000112.7F523 E529F523-G525 VanDerWaalsContact CD1-O 3.3Å; F523-G525 WeakPolarHBondContact CD1-O 3.43Å; F523-G525 WeakPolarHBondContact CE1-O 3.39Å; F523-G525 PolarHBondContact O-N 2.99Å; G525-E529 WeakPolarHBondContact CA-OE2 3.18Å
526N89.2Confident76.8Confident34 Ų3477.2 Ų77.218%0.18240%0.403CS..  trans-78.8172.517766.858.7000112.3A507 F523 V528 E529 W530A507-N526 WeakPolarHBondContact O-CB 3.46Å; F523-N526 WeakPolarHBondContact CE1-O 3.35Å; N526-V528 VanDerWaalsContact C-N 3.29Å; N526-V528 PolarHBondContact O-N 3.1Å; N526-V528 WeakPolarHBondContact OD1-CB 3.43Å; N526-V528 PolarHBondContact OD1-N 3.49Å; N526-E529 PolarHBondContact N-OE2 3.37Å; N526-E529 PolarHBondContact ND2-OE1 3.04Å; N526-E529 PolarHBondContact ND2-OE2 2.99Å; N526-E529 PolarHBondContact O-N 2.86Å; N526-E529 PolarHBondContact OD1-N 3.01Å; N526-W530 PolarHBondContact O-N 3.34Å
527L93.4Very high78.9Confident0 Ų072.2 Ų72.20%038%0.38CS..Hα-helixtrans-57.7-39.5-177.4-177.353.5000113.1L499 E500 T503 Q505 A507 V510 W530 I531L499-L527 HydrophobicContact CB-CD2 3.63Å; L499-L527 HydrophobicContact CB-CG 3.98Å; L499-L527 HydrophobicContact CD1-CG 4.33Å; E500-L527 HydrophobicContact CG-CD2 3.88Å; T503-L527 HydrophobicContact CG2-CD1 4.4Å; Q505-L527 HydrophobicContact CB-CD1 3.85Å; A507-L527 WeakPolarHBondContact O-CB 3.43Å; A507-L527 PolarHBondContact O-N 3.21Å; V510-L527 HydrophobicContact CG2-CB 4.49Å; V510-L527 HydrophobicContact CG2-CD1 4.05Å; L527-W530 HydrophobicContact CD1-CE3 3.87Å; L527-W530 HydrophobicContact CD1-CZ3 4.32Å; L527-W530 PolarHBondContact O-N 3.09Å; L527-I531 HydrophobicContact CD1-CG1 4.31Å; L527-I531 VanDerWaalsContact O-CG1 3.26Å; L527-I531 WeakPolarHBondContact O-CG1 3.44Å; L527-I531 PolarHBondContact O-N 3.16Å
528V94.6Very high81.2Confident7 Ų771 Ų714%0.04239%0.387CS..Hα-helixtrans-68.7-41.1-180178.60000111.2V496 L499 N526 W530 I531 T532 V568V496-V528 HydrophobicContact CG2-CG2 3.69Å; L499-V528 HydrophobicContact CD1-CG2 4.06Å; N526-V528 VanDerWaalsContact C-N 3.29Å; N526-V528 PolarHBondContact O-N 3.1Å; N526-V528 WeakPolarHBondContact OD1-CB 3.43Å; N526-V528 PolarHBondContact OD1-N 3.49Å; V528-W530 VanDerWaalsContact C-N 3.31Å; V528-W530 PolarHBondContact O-N 3.28Å; V528-I531 PolarHBondContact O-N 3.09Å; V528-T532 WeakPolarHBondContact O-CB 3.29Å; V528-T532 PolarHBondContact O-N 3.3Å; V528-T532 PolarHBondContact O-OG1 3.39Å; V528-V568 HydrophobicContact CG1-CB 4.03Å; V528-V568 HydrophobicContact CG1-CG2 4.01Å; V528-V568 HydrophobicContact CG2-CB 4.19Å; V528-V568 HydrophobicContact CG2-CG1 4.14Å
529E92.2Very high83.3Confident99 Ų9969.6 Ų69.646%0.46336%0.361SS..Hα-helixtrans-63.8-38.9175.5-69.3169.2162.200111.5F523 G525 N526 T532 K533F523-E529 HydrophobicContact CE1-CB 3.97Å; F523-E529 HydrophobicContact CZ-CB 3.85Å; G525-E529 WeakPolarHBondContact CA-OE2 3.18Å; N526-E529 PolarHBondContact N-OE2 3.37Å; N526-E529 PolarHBondContact ND2-OE1 3.04Å; N526-E529 PolarHBondContact ND2-OE2 2.99Å; N526-E529 PolarHBondContact O-N 2.86Å; N526-E529 PolarHBondContact OD1-N 3.01Å; E529-T532 PolarHBondContact O-N 2.88Å; E529-K533 PolarHBondContact O-N 3.49Å
530W92.9Very high85.7Confident22 Ų2261.7 Ų61.78%0.08333%0.325CS..Hα-helixtrans-64.4-47.1176-175.860000112T503 Q505 V510 F523 N526 L527 V528 T532 K533 L534 A543T503-W530 HydrophobicContact CG2-CZ3 4.27Å; Q505-W530 HydrophobicContact CG-CZ3 4.11Å; V510-W530 HydrophobicContact CB-CD2 4.32Å; V510-W530 HydrophobicContact CB-CG 4.31Å; V510-W530 HydrophobicContact CG1-CD2 3.6Å; V510-W530 HydrophobicContact CG1-CE3 3.83Å; V510-W530 HydrophobicContact CG1-CG 4.01Å; V510-W530 HydrophobicContact CG1-CH2 4.14Å; V510-W530 HydrophobicContact CG1-CZ2 3.95Å; V510-W530 HydrophobicContact CG1-CZ3 4.09Å; V510-W530 HydrophobicContact CG2-CB 3.81Å; V510-W530 HydrophobicContact CG2-CD2 4.05Å; V510-W530 HydrophobicContact CG2-CE3 4.05Å; V510-W530 HydrophobicContact CG2-CG 3.97Å; F523-W530 HydrophobicContact CD1-CB 3.6Å; F523-W530 AromaticContact CD1-CD1 3.92Å; F523-W530 HydrophobicContact CD1-CG 4.06Å; F523-W530 AromaticContact CD2-CD1 4Å; F523-W530 VanDerWaalsContact CE1-CA 3.48Å; F523-W530 HydrophobicContact CE1-CB 3.48Å; F523-W530 VanDerWaalsContact CE1-CB 3.48Å; F523-W530 HydrophobicContact CE1-CG 4.33Å; F523-W530 VanDerWaalsContact CE1-N 3.3Å; F523-W530 HydrophobicContact CG-CB 4.28Å; F523-W530 AromaticContact CG-CD1 3.71Å; F523-W530 HydrophobicContact CG-CG 4.3Å; F523-W530 HydrophobicContact CZ-CB 4.08Å; N526-W530 PolarHBondContact O-N 3.34Å; L527-W530 HydrophobicContact CD1-CE3 3.87Å; L527-W530 HydrophobicContact CD1-CZ3 4.32Å; L527-W530 PolarHBondContact O-N 3.09Å; V528-W530 VanDerWaalsContact C-N 3.31Å; V528-W530 PolarHBondContact O-N 3.28Å; W530-T532 VanDerWaalsContact C-N 3.29Å; W530-T532 PolarHBondContact O-N 3.42Å; W530-K533 WeakPolarHBondContact O-CB 3.28Å; W530-K533 PolarHBondContact O-N 2.9Å; W530-L534 HydrophobicContact CD2-CD1 3.91Å; W530-L534 HydrophobicContact CD2-CG 4.48Å; W530-L534 HydrophobicContact CE3-CD1 4.18Å; W530-L534 HydrophobicContact CH2-CD1 3.95Å; W530-L534 HydrophobicContact CZ2-CD1 3.61Å; W530-L534 HydrophobicContact CZ3-CD1 4.2Å; W530-L534 PolarHBondContact O-N 3.3Å; W530-A543 HydrophobicContact CH2-CB 4.17Å; W530-A543 HydrophobicContact CZ3-CB 3.96Å
531I94.9Very high87.5Confident4 Ų463.1 Ų63.12%0.02133%0.331CS..Hα-helixtrans-61.2-40.3175.8-69.3-66.5000111.2L499 T503 L527 V528 K533 L534 S535 L540 A543 L561L499-I531 HydrophobicContact CD1-CB 4.48Å; L499-I531 HydrophobicContact CD1-CG1 4.03Å; L499-I531 HydrophobicContact CD2-CD1 4.22Å; L499-I531 HydrophobicContact CD2-CG1 3.94Å; L499-I531 HydrophobicContact CD2-CG2 4.29Å; L499-I531 HydrophobicContact CG-CG1 4.49Å; T503-I531 HydrophobicContact CG2-CD1 4.1Å; L527-I531 HydrophobicContact CD1-CG1 4.31Å; L527-I531 VanDerWaalsContact O-CG1 3.26Å; L527-I531 WeakPolarHBondContact O-CG1 3.44Å; L527-I531 PolarHBondContact O-N 3.16Å; V528-I531 PolarHBondContact O-N 3.09Å; I531-K533 PolarHBondContact O-N 3.45Å; I531-L534 PolarHBondContact O-N 3.41Å; I531-S535 VanDerWaalsContact O-CB 3.31Å; I531-S535 WeakPolarHBondContact O-CB 3.3Å; I531-S535 PolarHBondContact O-N 3.26Å; I531-L540 HydrophobicContact CD1-CD1 4.3Å; I531-L540 HydrophobicContact CG2-CD1 3.96Å; I531-A543 HydrophobicContact CD1-CB 3.47Å; I531-A543 VanDerWaalsContact CD1-CB 3.47Å; I531-L561 HydrophobicContact CD1-CD1 4.31Å
532T92.9Very high89.2Confident73 Ų7362.1 Ų62.145%0.44833%0.327SS..Hα-helixtrans-61.8-44.7175.9-57.50000111.1V528 E529 W530 S535 S536V528-T532 WeakPolarHBondContact O-CB 3.29Å; V528-T532 PolarHBondContact O-N 3.3Å; V528-T532 PolarHBondContact O-OG1 3.39Å; E529-T532 PolarHBondContact O-N 2.88Å; W530-T532 VanDerWaalsContact C-N 3.29Å; W530-T532 PolarHBondContact O-N 3.42Å; T532-S535 PolarHBondContact O-N 3.35Å; T532-S536 PolarHBondContact O-N 3.2Å
533K91.9Very high90.3Very high93 Ų9357.9 Ų57.940%0.40430%0.304SS..Hα-helixtrans-59.6-52.6174.6179.2179.4175179.70111.3F523 E529 W530 I531 S535 S536 E537F523-K533 HydrophobicContact CD2-CD 4.27Å; F523-K533 HydrophobicContact CE2-CD 3.84Å; E529-K533 PolarHBondContact O-N 3.49Å; W530-K533 WeakPolarHBondContact O-CB 3.28Å; W530-K533 PolarHBondContact O-N 2.9Å; I531-K533 PolarHBondContact O-N 3.45Å; K533-S535 VanDerWaalsContact C-N 3.29Å; K533-S535 PolarHBondContact O-N 3.03Å; K533-S536 PolarHBondContact O-N 2.95Å; K533-S536 VanDerWaalsContact O-N 3.09Å; K533-S536 PolarHBondContact O-OG 3.1Å; K533-E537 WeakPolarHBondContact CE-OE1 3.48Å; K533-E537 PolarHBondContact O-N 3.25Å
534L92.8Very high91.1Very high10 Ų1056.3 Ų56.35%0.05230%0.298CS..Hα-helixtrans-59.5-39.9179.1-71.5-179.8000112.3W530 I531 E537 S538 K539 A543W530-L534 HydrophobicContact CD2-CD1 3.91Å; W530-L534 HydrophobicContact CD2-CG 4.48Å; W530-L534 HydrophobicContact CE3-CD1 4.18Å; W530-L534 HydrophobicContact CH2-CD1 3.95Å; W530-L534 HydrophobicContact CZ2-CD1 3.61Å; W530-L534 HydrophobicContact CZ3-CD1 4.2Å; W530-L534 PolarHBondContact O-N 3.3Å; I531-L534 PolarHBondContact O-N 3.41Å; L534-E537 CarbonylContact O-C 3.58Å; L534-E537 PolarHBondContact O-N 3.27Å; L534-S538 PolarHBondContact O-N 3.16Å; L534-S538 VanDerWaalsContact O-N 3.16Å; L534-K539 HydrophobicContact CD2-CB 3.91Å; L534-K539 PolarHBondContact O-N 3.48Å; L534-A543 HydrophobicContact CD1-CB 3.71Å
535S92.3Very high91.8Very high65 Ų6551.4 Ų51.446%0.45528%0.278SS..Hα-helixtrans-61.9-43.4174.6-1710000111.7I531 T532 K533 E537 S538I531-S535 VanDerWaalsContact O-CB 3.31Å; I531-S535 WeakPolarHBondContact O-CB 3.3Å; I531-S535 PolarHBondContact O-N 3.26Å; T532-S535 PolarHBondContact O-N 3.35Å; K533-S535 VanDerWaalsContact C-N 3.29Å; K533-S535 PolarHBondContact O-N 3.03Å; S535-E537 VanDerWaalsContact C-N 3.27Å; S535-E537 PolarHBondContact O-N 2.65Å; S535-S538 PolarHBondContact O-N 2.91Å
536S92.1Very high92.1Very high94 Ų9458.2 Ų58.266%0.65730%0.299SS*.Hα-helixtrans-65.3-30177.476.50000113.2T532 K533 S538T532-S536 PolarHBondContact O-N 3.2Å; K533-S536 PolarHBondContact O-N 2.95Å; K533-S536 VanDerWaalsContact O-N 3.09Å; K533-S536 PolarHBondContact O-OG 3.1Å; S536-S538 VanDerWaalsContact C-N 3.33Å
537E92.9Very high92.1Very high82 Ų8259.2 Ų59.238%0.38331%0.309SS..THydrogen-bonded Turntrans-87.62177.2-67.6-176.4-157.200113.2K533 L534 S535 K539K533-E537 WeakPolarHBondContact CE-OE1 3.48Å; K533-E537 PolarHBondContact O-N 3.25Å; L534-E537 CarbonylContact O-C 3.58Å; L534-E537 PolarHBondContact O-N 3.27Å; S535-E537 VanDerWaalsContact C-N 3.27Å; S535-E537 PolarHBondContact O-N 2.65Å; E537-K539 HydrophobicContact CB-CB 4.4Å; E537-K539 HydrophobicContact CB-CD 4.04Å; E537-K539 HydrophobicContact CB-CG 4.14Å; E537-K539 PolarHBondContact O-N 2.96Å; E537-K539 IonicContact OE2-NZ 2.72Å; E537-K539 PolarHBondContact OE2-NZ 3.14Å
538S92.3Very high92Very high101 Ų10159.4 Ų59.471%0.70631%0.31SS*.THydrogen-bonded Turntrans57.828.3-172.6-55.30000114.2L534 S535 S536L534-S538 PolarHBondContact O-N 3.16Å; L534-S538 VanDerWaalsContact O-N 3.16Å; S535-S538 PolarHBondContact O-N 2.91Å; S536-S538 VanDerWaalsContact C-N 3.33Å
539K92.2Very high91.6Very high82 Ų8263.1 Ų63.136%0.35733%0.33SS..  trans-110.721.9-178.8-68.4177.6-174.5164.70113.2L534 E537 Q541 E542L534-K539 HydrophobicContact CD2-CB 3.91Å; L534-K539 PolarHBondContact O-N 3.48Å; E537-K539 HydrophobicContact CB-CB 4.4Å; E537-K539 HydrophobicContact CB-CD 4.04Å; E537-K539 HydrophobicContact CB-CG 4.14Å; E537-K539 PolarHBondContact O-N 2.96Å; E537-K539 IonicContact OE2-NZ 2.72Å; E537-K539 PolarHBondContact OE2-NZ 3.14Å; K539-Q541 PolarHBondContact O-N 3.18Å; K539-Q541 VanDerWaalsContact O-N 3.11Å; K539-E542 HydrophobicContact CB-CG 4.2Å; K539-E542 WeakPolarHBondContact CD-OE1 3.22Å; K539-E542 WeakPolarHBondContact CG-OE1 3.41Å; K539-E542 VanDerWaalsContact O-CB 3.3Å; K539-E542 WeakPolarHBondContact O-CB 3.07Å; K539-E542 PolarHBondContact O-N 3.21Å
540L90.9Very high91.1Very high22 Ų2261.6 Ų61.612%0.11534%0.34CS..G310 helixtrans-57.6-31.1-173.8-173.860.2000113.5I531 E542 A543 F558 L561I531-L540 HydrophobicContact CD1-CD1 4.3Å; I531-L540 HydrophobicContact CG2-CD1 3.96Å; L540-E542 PolarHBondContact O-N 2.66Å; L540-A543 VanDerWaalsContact O-CB 3.24Å; L540-A543 WeakPolarHBondContact O-CB 3.26Å; L540-A543 PolarHBondContact O-N 3.28Å; L540-A543 VanDerWaalsContact O-N 3.14Å; L540-F558 HydrophobicContact CD2-CE2 4.36Å; L540-F558 HydrophobicContact CG-CE2 4.37Å; L540-L561 HydrophobicContact CD1-CD1 4.37Å; L540-L561 HydrophobicContact CD1-CD2 3.92Å; L540-L561 HydrophobicContact CD1-CG 4.2Å; L540-L561 HydrophobicContact CD2-CD2 4.29Å; L540-L561 HydrophobicContact CD2-CG 4.31Å; L540-L561 HydrophobicContact CG-CD2 3.69Å; L540-L561 HydrophobicContact CG-CG 4.17Å
541Q89.9Confident90.7Very high112 Ų11265.8 Ų65.852%0.52336%0.364SS..G310 helixtrans-60.2-28.8173.813.7-93.4-9.500113.4K539 A543 I544 F558K539-Q541 PolarHBondContact O-N 3.18Å; K539-Q541 VanDerWaalsContact O-N 3.11Å; Q541-A543 PolarHBondContact O-N 2.98Å; Q541-A543 VanDerWaalsContact O-N 3.17Å; Q541-I544 PolarHBondContact O-N 2.89Å; Q541-F558 VanDerWaalsContact OE1-CE2 3.25Å
542E90.7Very high90.3Very high125 Ų12569 Ų6958%0.58440%0.399SS*.G310 helixtrans-68.5-10.7178.2-61178.5-16100112.8K539 L540 I544K539-E542 HydrophobicContact CB-CG 4.2Å; K539-E542 WeakPolarHBondContact CD-OE1 3.22Å; K539-E542 WeakPolarHBondContact CG-OE1 3.41Å; K539-E542 VanDerWaalsContact O-CB 3.3Å; K539-E542 WeakPolarHBondContact O-CB 3.07Å; K539-E542 PolarHBondContact O-N 3.21Å; L540-E542 PolarHBondContact O-N 2.66Å; E542-I544 VanDerWaalsContact C-N 3.33Å
543A92.4Very high90.2Very high2 Ų266.4 Ų66.42%0.01738%0.382CS..G310 helixtrans-75.2-22.5176.900000113.4T503 W530 I531 L534 L540 Q541 D545 L561T503-A543 WeakPolarHBondContact CA-O 3.47Å; T503-A543 VanDerWaalsContact CB-O 3.28Å; T503-A543 WeakPolarHBondContact CB-O 3.47Å; T503-A543 HydrophobicContact CG2-CB 4.08Å; T503-A543 WeakPolarHBondContact CG2-O 3.13Å; W530-A543 HydrophobicContact CH2-CB 4.17Å; W530-A543 HydrophobicContact CZ3-CB 3.96Å; I531-A543 HydrophobicContact CD1-CB 3.47Å; I531-A543 VanDerWaalsContact CD1-CB 3.47Å; L534-A543 HydrophobicContact CD1-CB 3.71Å; L540-A543 VanDerWaalsContact O-CB 3.24Å; L540-A543 WeakPolarHBondContact O-CB 3.26Å; L540-A543 PolarHBondContact O-N 3.28Å; L540-A543 VanDerWaalsContact O-N 3.14Å; Q541-A543 PolarHBondContact O-N 2.98Å; Q541-A543 VanDerWaalsContact O-N 3.17Å; A543-D545 PolarHBondContact O-N 3Å; A543-L561 HydrophobicContact CB-CD2 4.46Å
544I93.6Very high90.2Very high13 Ų1364.8 Ų64.87%0.06738%0.378CS..SBendtrans-65.2135.1-172.7-63.5173.6000109.9V502 Q541 E542 R546 L549 I557 L561V502-I544 HydrophobicContact CG1-CG1 4.27Å; Q541-I544 PolarHBondContact O-N 2.89Å; E542-I544 VanDerWaalsContact C-N 3.33Å; I544-R546 PolarHBondContact O-N 2.99Å; I544-L549 HydrophobicContact CB-CD2 4.1Å; I544-L549 HydrophobicContact CG2-CD2 3.67Å; I544-L549 HydrophobicContact CG2-CG 4.21Å; I544-I557 HydrophobicContact CB-CG2 4.45Å; I544-I557 HydrophobicContact CD1-CG2 3.89Å; I544-I557 HydrophobicContact CG1-CG2 3.87Å; I544-I557 HydrophobicContact CG2-CD1 4.38Å; I544-I557 HydrophobicContact CG2-CG2 3.82Å; I544-L561 HydrophobicContact CG1-CD2 4.4Å
545D92Very high90.2Very high27 Ų2770.5 Ų70.514%0.14441%0.409CS..  trans-53.5122.4174.7-174.1-26.7000110.5R403 V502 A543 S547 L548R403-D545 IonicContact CZ-OD2 2.98Å; R403-D545 VanDerWaalsContact CZ-OD2 3.22Å; R403-D545 IonicContact NH1-OD2 3.32Å; R403-D545 PolarHBondContact NH1-OD2 2.91Å; R403-D545 IonicContact NH2-OD2 3.81Å; R403-D545 PolarHBondContact NH2-OD2 3.38Å; V502-D545 WeakPolarHBondContact O-CB 3.39Å; V502-D545 PolarHBondContact O-N 3.43Å; A543-D545 PolarHBondContact O-N 3Å; D545-S547 PolarHBondContact O-N 3.49Å; D545-S547 VanDerWaalsContact O-N 3.16Å; D545-S547 WeakPolarHBondContact OD1-CB 3.44Å; D545-S547 PolarHBondContact OD1-N 2.75Å; D545-S547 PolarHBondContact OD1-OG 3.41Å; D545-S547 PolarHBondContact OD2-OG 2.9Å; D545-L548 HydrophobicContact CB-CD1 4.01Å; D545-L548 HydrophobicContact CB-CG 4.01Å; D545-L548 WeakPolarHBondContact O-CB 3.41Å; D545-L548 PolarHBondContact O-N 3.28Å
546R88.7Confident90.3Very high155 Ų15569.1 Ų69.159%0.58540%0.395SS*.THydrogen-bonded Turntrans-58.9-30.2-176.9-65.3-177.8178.5-158.8-2.5112.7V513 I544 L548 L549V513-R546 PolarHBondContact O-NH1 3.37Å; V513-R546 PolarHBondContact O-NH2 2.97Å; I544-R546 PolarHBondContact O-N 2.99Å; R546-L548 PolarHBondContact O-N 3.43Å; R546-L549 PolarHBondContact O-N 3.24Å
547S88.6Confident90.5Very high56 Ų5664.7 Ų64.739%0.39236%0.364SS..THydrogen-bonded Turntrans-66.5-17.5177.767.10000113.3D545 N551D545-S547 PolarHBondContact O-N 3.49Å; D545-S547 VanDerWaalsContact O-N 3.16Å; D545-S547 WeakPolarHBondContact OD1-CB 3.44Å; D545-S547 PolarHBondContact OD1-N 2.75Å; D545-S547 PolarHBondContact OD1-OG 3.41Å; D545-S547 PolarHBondContact OD2-OG 2.9Å; S547-N551 PolarHBondContact O-ND2 3.4Å
548L91.6Very high90.6Very high4 Ų463 Ų632%0.02136%0.356CS..THydrogen-bonded Turntrans-95.4-21.3-180-57.7-178000113.4W400 D545 R546 N551 I557W400-L548 HydrophobicContact CB-CD2 4.18Å; W400-L548 HydrophobicContact CE3-CD1 4.03Å; D545-L548 HydrophobicContact CB-CD1 4.01Å; D545-L548 HydrophobicContact CB-CG 4.01Å; D545-L548 WeakPolarHBondContact O-CB 3.41Å; D545-L548 PolarHBondContact O-N 3.28Å; R546-L548 PolarHBondContact O-N 3.43Å; L548-N551 PolarHBondContact O-ND2 2.93Å; L548-I557 HydrophobicContact CB-CD1 3.72Å; L548-I557 HydrophobicContact CD1-CD1 4.11Å
549L86.5Confident90.8Very high85 Ų8563.7 Ų63.745%0.44535%0.346SS..THydrogen-bonded Turntrans-64.8142.4-175-67.4176.6000112.4I544 R546 N551I544-L549 HydrophobicContact CB-CD2 4.1Å; I544-L549 HydrophobicContact CG2-CD2 3.67Å; I544-L549 HydrophobicContact CG2-CG 4.21Å; R546-L549 PolarHBondContact O-N 3.24Å; L549-N551 VanDerWaalsContact C-N 3.3Å; L549-N551 PolarHBondContact O-N 3.02Å
550G82Confident91.1Very high67 Ų6759.9 Ų59.969%0.69133%0.33SS*.THydrogen-bonded Turntrans80.75.5173.600000115G552 D554G550-G552 VanDerWaalsContact C-N 3.34Å; G550-D554 PolarHBondContact N-OD1 3.46Å
551N83.2Confident91.4Very high109 Ų10958.9 Ų58.958%0.58332%0.324SS*.SBendtrans-91.211.5178.1-64.8-49.8000113.6S547 L548 L549 V553S547-N551 PolarHBondContact O-ND2 3.4Å; L548-N551 PolarHBondContact O-ND2 2.93Å; L549-N551 VanDerWaalsContact C-N 3.3Å; L549-N551 PolarHBondContact O-N 3.02Å; N551-V553 VanDerWaalsContact C-N 3.31Å; N551-V553 HydrophobicContact CB-CG2 4.19Å; N551-V553 PolarHBondContact O-N 3Å
552G86.8Confident91.7Very high72 Ų7258.8 Ų58.874%0.74232%0.322SS*.SBendtrans77.110.917800000115.3G550G550-G552 VanDerWaalsContact C-N 3.34Å
553V91.7Very high92Very high18 Ų1853.2 Ų53.211%0.10930%0.297CS..  trans-114.68.9-177.8-66.70000112.9W400 N551 D555 E556 I557 Y593W400-V553 HydrophobicContact CB-CG2 3.97Å; W400-V553 HydrophobicContact CG-CB 4.2Å; W400-V553 HydrophobicContact CG-CG2 3.94Å; N551-V553 VanDerWaalsContact C-N 3.31Å; N551-V553 HydrophobicContact CB-CG2 4.19Å; N551-V553 PolarHBondContact O-N 3Å; V553-D555 VanDerWaalsContact C-N 3.28Å; V553-D555 PolarHBondContact O-N 3.42Å; V553-E556 WeakPolarHBondContact O-CB 3.23Å; V553-E556 PolarHBondContact O-N 3Å; V553-I557 HydrophobicContact CG2-CD1 3.78Å; V553-I557 HydrophobicContact CG2-CG1 4.36Å; V553-I557 WeakPolarHBondContact O-CG1 3.49Å; V553-I557 PolarHBondContact O-N 3.16Å; V553-Y593 WeakPolarHBondContact CG1-OH 3.36Å
554D91.1Very high92.3Very high59 Ų5953.1 Ų53.132%0.31630%0.296SS..Hα-helixtrans-58.1-39-173-56.2-55.5000112.3G550 E556 I557 F558G550-D554 PolarHBondContact N-OD1 3.46Å; D554-E556 VanDerWaalsContact C-N 3.35Å; D554-E556 PolarHBondContact O-N 3.49Å; D554-I557 PolarHBondContact O-N 3.27Å; D554-F558 WeakPolarHBondContact O-CB 3.48Å; D554-F558 PolarHBondContact O-N 3.11Å
555D92.5Very high92.4Very high131 Ų13153.7 Ų53.770%0.70130%0.301SS*.Hα-helixtrans-64-37.6176.3-77.5-22.9000112.7V553 K559V553-D555 VanDerWaalsContact C-N 3.28Å; V553-D555 PolarHBondContact O-N 3.42Å; D555-K559 VanDerWaalsContact O-CG 3.23Å; D555-K559 WeakPolarHBondContact O-CG 3.31Å; D555-K559 PolarHBondContact O-N 2.87Å; D555-K559 VanDerWaalsContact O-N 3.11Å
556E95Very high92.6Very high36 Ų3656.3 Ų56.317%0.16832%0.315CS..Hα-helixtrans-69.6-46.4177.6-61.1177.5176.900110.5W400 V553 D554 F558 K559 V560 I589 Y593W400-E556 HydrophobicContact CZ2-CB 4.27Å; W400-E556 PolarHBondContact NE1-OE2 3.41Å; V553-E556 WeakPolarHBondContact O-CB 3.23Å; V553-E556 PolarHBondContact O-N 3Å; D554-E556 VanDerWaalsContact C-N 3.35Å; D554-E556 PolarHBondContact O-N 3.49Å; E556-F558 VanDerWaalsContact C-N 3.3Å; E556-F558 PolarHBondContact O-N 3.26Å; E556-K559 WeakPolarHBondContact O-CB 3.47Å; E556-K559 PolarHBondContact O-N 3.45Å; E556-K559 VanDerWaalsContact O-N 3.16Å; E556-V560 PolarHBondContact O-N 3.18Å; E556-I589 HydrophobicContact CB-CG2 3.95Å; E556-I589 HydrophobicContact CG-CG2 4.4Å; E556-Y593 VanDerWaalsContact OE2-CE2 3.24Å; E556-Y593 WeakPolarHBondContact OE2-CE2 3.33Å; E556-Y593 PolarHBondContact OE2-OH 2.94Å
557I96.1Very high93Very high0 Ų049 Ų490%029%0.287CS..Hα-helixtrans-57.6-46.5177.2-63.4168.6000110W400 V502 I544 L548 V553 D554 K559 V560 L561W400-I557 HydrophobicContact CD2-CD1 4.21Å; W400-I557 HydrophobicContact CD2-CG1 3.5Å; W400-I557 HydrophobicContact CE3-CD1 4.34Å; W400-I557 HydrophobicContact CE3-CG1 3.67Å; W400-I557 HydrophobicContact CG-CD1 4.38Å; W400-I557 HydrophobicContact CG-CG1 4.07Å; W400-I557 HydrophobicContact CH2-CB 4.26Å; W400-I557 HydrophobicContact CH2-CG1 3.93Å; W400-I557 HydrophobicContact CH2-CG2 4.49Å; W400-I557 HydrophobicContact CZ2-CB 4.29Å; W400-I557 HydrophobicContact CZ2-CG1 3.78Å; W400-I557 HydrophobicContact CZ3-CB 4.48Å; W400-I557 HydrophobicContact CZ3-CG1 3.88Å; W400-I557 HydrophobicContact CZ3-CG2 4.45Å; V502-I557 HydrophobicContact CG1-CG2 3.76Å; V502-I557 HydrophobicContact CG2-CG2 4.42Å; I544-I557 HydrophobicContact CB-CG2 4.45Å; I544-I557 HydrophobicContact CD1-CG2 3.89Å; I544-I557 HydrophobicContact CG1-CG2 3.87Å; I544-I557 HydrophobicContact CG2-CD1 4.38Å; I544-I557 HydrophobicContact CG2-CG2 3.82Å; L548-I557 HydrophobicContact CB-CD1 3.72Å; L548-I557 HydrophobicContact CD1-CD1 4.11Å; V553-I557 HydrophobicContact CG2-CD1 3.78Å; V553-I557 HydrophobicContact CG2-CG1 4.36Å; V553-I557 WeakPolarHBondContact O-CG1 3.49Å; V553-I557 PolarHBondContact O-N 3.16Å; D554-I557 PolarHBondContact O-N 3.27Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 2.89Å; I557-V560 PolarHBondContact O-N 3.26Å; I557-L561 PolarHBondContact O-N 3.17Å
558F95Very high93.4Very high48 Ų4846.6 Ų46.621%0.21127%0.27CS..Hα-helixtrans-66.3-33.5-179.9-165.2-112.8000112.8L540 Q541 D554 E556 L561 K562L540-F558 HydrophobicContact CD2-CE2 4.36Å; L540-F558 HydrophobicContact CG-CE2 4.37Å; Q541-F558 VanDerWaalsContact OE1-CE2 3.25Å; D554-F558 WeakPolarHBondContact O-CB 3.48Å; D554-F558 PolarHBondContact O-N 3.11Å; E556-F558 VanDerWaalsContact C-N 3.3Å; E556-F558 PolarHBondContact O-N 3.26Å; F558-L561 HydrophobicContact CD2-CD2 4.28Å; F558-L561 PolarHBondContact O-N 2.99Å; F558-K562 HydrophobicContact CD1-CD 4.49Å; F558-K562 HydrophobicContact CE1-CD 4.38Å; F558-K562 WeakPolarHBondContact O-CG 3.24Å; F558-K562 PolarHBondContact O-N 3.27Å; F558-K562 VanDerWaalsContact O-N 3.1Å
559K96.5Very high93.1Very high115 Ų11549.2 Ų49.250%0.528%0.284SS..Hα-helixtrans-64.9-43.8171.6-72.1167.8-172172.60111.4D555 E556 I557 L561 K562 V563 I589D555-K559 VanDerWaalsContact O-CG 3.23Å; D555-K559 WeakPolarHBondContact O-CG 3.31Å; D555-K559 PolarHBondContact O-N 2.87Å; D555-K559 VanDerWaalsContact O-N 3.11Å; E556-K559 WeakPolarHBondContact O-CB 3.47Å; E556-K559 PolarHBondContact O-N 3.45Å; E556-K559 VanDerWaalsContact O-N 3.16Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 2.89Å; K559-L561 VanDerWaalsContact C-N 3.33Å; K559-L561 PolarHBondContact O-N 3.15Å; K559-K562 WeakPolarHBondContact O-CB 3.35Å; K559-K562 PolarHBondContact O-N 3.24Å; K559-V563 WeakPolarHBondContact O-CG2 3.44Å; K559-V563 PolarHBondContact O-N 3.1Å; K559-V563 VanDerWaalsContact O-N 3.12Å; K559-I589 HydrophobicContact CB-CD1 3.6Å; K559-I589 HydrophobicContact CB-CG1 3.84Å; K559-I589 HydrophobicContact CB-CG2 4.47Å; K559-I589 HydrophobicContact CD-CG1 4.22Å
560V97.9Very high92.5Very high2 Ų248.3 Ų48.31%0.01228%0.283CS..Hα-helixtrans-63.8-39.9175.8175.40000111.1W400 L404 L498 V502 E556 I557 K562 V563 A564 L586 I589W400-V560 HydrophobicContact CH2-CB 3.8Å; W400-V560 HydrophobicContact CH2-CG1 4.11Å; W400-V560 HydrophobicContact CH2-CG2 3.63Å; W400-V560 HydrophobicContact CZ2-CB 4.3Å; W400-V560 HydrophobicContact CZ2-CG2 3.71Å; L404-V560 HydrophobicContact CD1-CG2 3.89Å; L498-V560 HydrophobicContact CD2-CG1 4.36Å; V502-V560 HydrophobicContact CG2-CB 4.22Å; V502-V560 HydrophobicContact CG2-CG1 3.78Å; E556-V560 PolarHBondContact O-N 3.18Å; I557-V560 PolarHBondContact O-N 3.26Å; V560-K562 VanDerWaalsContact C-N 3.3Å; V560-K562 PolarHBondContact O-N 3.12Å; V560-V563 WeakPolarHBondContact O-CB 3.27Å; V560-V563 PolarHBondContact O-N 3.38Å; V560-V563 VanDerWaalsContact O-N 3.1Å; V560-A564 PolarHBondContact O-N 3.07Å; V560-L586 HydrophobicContact CB-CD2 4.38Å; V560-L586 HydrophobicContact CG1-CD2 3.93Å; V560-L586 HydrophobicContact CG2-CD2 3.9Å; V560-I589 HydrophobicContact CG2-CD1 3.88Å; V560-I589 HydrophobicContact CG2-CG2 4.05Å
561L97.4Very high91.9Very high0 Ų053.5 Ų53.50%029%0.29CS..Hα-helixtrans-58-42.3175.2-175.250.6000111.8L499 V502 I531 L540 A543 I544 I557 F558 K559 A564 C565L499-L561 HydrophobicContact CD2-CD1 3.62Å; V502-L561 HydrophobicContact CG1-CB 4.15Å; V502-L561 HydrophobicContact CG1-CD1 4.09Å; V502-L561 HydrophobicContact CG1-CD2 4.3Å; V502-L561 HydrophobicContact CG1-CG 4.41Å; I531-L561 HydrophobicContact CD1-CD1 4.31Å; L540-L561 HydrophobicContact CD1-CD1 4.37Å; L540-L561 HydrophobicContact CD1-CD2 3.92Å; L540-L561 HydrophobicContact CD1-CG 4.2Å; L540-L561 HydrophobicContact CD2-CD2 4.29Å; L540-L561 HydrophobicContact CD2-CG 4.31Å; L540-L561 HydrophobicContact CG-CD2 3.69Å; L540-L561 HydrophobicContact CG-CG 4.17Å; A543-L561 HydrophobicContact CB-CD2 4.46Å; I544-L561 HydrophobicContact CG1-CD2 4.4Å; I557-L561 PolarHBondContact O-N 3.17Å; F558-L561 HydrophobicContact CD2-CD2 4.28Å; F558-L561 PolarHBondContact O-N 2.99Å; K559-L561 VanDerWaalsContact C-N 3.33Å; K559-L561 PolarHBondContact O-N 3.15Å; L561-A564 WeakPolarHBondContact O-CB 3.37Å; L561-A564 PolarHBondContact O-N 3.28Å; L561-C565 PolarHBondContact O-N 3.48Å; L561-C565 PolarHBondContact O-SG 3.29Å
562K96.4Very high91.6Very high110 Ų11051.8 Ų51.848%0.47828%0.279SS..Hα-helixtrans-62.9-41.6173.9-72.6175.8176.4173.40112.7F558 K559 V560 A564 C565 N566F558-K562 HydrophobicContact CD1-CD 4.49Å; F558-K562 HydrophobicContact CE1-CD 4.38Å; F558-K562 WeakPolarHBondContact O-CG 3.24Å; F558-K562 PolarHBondContact O-N 3.27Å; F558-K562 VanDerWaalsContact O-N 3.1Å; K559-K562 WeakPolarHBondContact O-CB 3.35Å; K559-K562 PolarHBondContact O-N 3.24Å; V560-K562 VanDerWaalsContact C-N 3.3Å; V560-K562 PolarHBondContact O-N 3.12Å; K562-A564 VanDerWaalsContact C-N 3.31Å; K562-A564 PolarHBondContact O-N 3.36Å; K562-C565 PolarHBondContact O-N 3.44Å; K562-N566 PolarHBondContact O-N 3.06Å
563V97.8Very high91.6Very high9 Ų949.5 Ų49.56%0.05525%0.254CS..Hα-helixtrans-60.1-44.7174.3176.90000110.2L498 K559 V560 N566 C567 V582 L585 L586 I589L498-V563 HydrophobicContact CD1-CG1 4.15Å; K559-V563 WeakPolarHBondContact O-CG2 3.44Å; K559-V563 PolarHBondContact O-N 3.1Å; K559-V563 VanDerWaalsContact O-N 3.12Å; V560-V563 WeakPolarHBondContact O-CB 3.27Å; V560-V563 PolarHBondContact O-N 3.38Å; V560-V563 VanDerWaalsContact O-N 3.1Å; V563-N566 PolarHBondContact O-N 2.89Å; V563-C567 PolarHBondContact O-N 3.44Å; V563-C567 VanDerWaalsContact O-N 3.09Å; V563-C567 PolarHBondContact O-SG 3.14Å; V563-V582 HydrophobicContact CG1-CG1 3.99Å; V563-L585 HydrophobicContact CG2-CB 3.93Å; V563-L585 HydrophobicContact CG2-CD1 4.19Å; V563-L586 HydrophobicContact CG1-CD2 4.29Å; V563-L586 HydrophobicContact CG1-CG 4.44Å; V563-I589 HydrophobicContact CG2-CD1 4.14Å
564A98.1Very high91.2Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-60.3-47.417700000111.9L498 L499 V560 L561 K562 N566 C567 V568L498-A564 HydrophobicContact CB-CB 3.57Å; L498-A564 HydrophobicContact CD1-CB 4.23Å; L499-A564 HydrophobicContact CD2-CB 3.59Å; L499-A564 HydrophobicContact CG-CB 3.99Å; V560-A564 PolarHBondContact O-N 3.07Å; L561-A564 WeakPolarHBondContact O-CB 3.37Å; L561-A564 PolarHBondContact O-N 3.28Å; K562-A564 VanDerWaalsContact C-N 3.31Å; K562-A564 PolarHBondContact O-N 3.36Å; A564-N566 VanDerWaalsContact C-N 3.31Å; A564-N566 PolarHBondContact O-N 3.21Å; A564-C567 WeakPolarHBondContact O-CA 3.31Å; A564-C567 WeakPolarHBondContact O-CB 3.45Å; A564-C567 PolarHBondContact O-N 3.06Å; A564-V568 PolarHBondContact O-N 3.49Å
565C96.2Very high91.2Very high24 Ų2460.6 Ų60.616%0.16230%0.3CS..Hα-helixtrans-56.3-42.6175.5-700000112.5L561 K562 C567 V568 L569L561-C565 PolarHBondContact O-N 3.48Å; L561-C565 PolarHBondContact O-SG 3.29Å; K562-C565 PolarHBondContact O-N 3.44Å; C565-C567 VanDerWaalsContact C-N 3.27Å; C565-C567 PolarHBondContact O-N 3.17Å; C565-V568 PolarHBondContact O-N 3.3Å; C565-L569 PolarHBondContact O-N 2.91Å
566N95.7Very high91.3Very high83 Ų8354.5 Ų54.544%0.44427%0.267SS..Hα-helixtrans-66.2-29.2176.4-69.7-18.2000112.7K562 V563 A564 L569 P577K562-N566 PolarHBondContact O-N 3.06Å; V563-N566 PolarHBondContact O-N 2.89Å; A564-N566 VanDerWaalsContact C-N 3.31Å; A564-N566 PolarHBondContact O-N 3.21Å; N566-L569 WeakPolarHBondContact O-CG 3.25Å; N566-P577 VanDerWaalsContact O-CD 3.3Å; N566-P577 WeakPolarHBondContact O-CD 3.32Å
567C97.8Very high91.3Very high0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-73.8-35.9175.5-64.70000112.3V491 Y492 G495 V563 A564 C565 R576 V582V491-C567 HydrophobicContact CG1-CB 3.92Å; Y492-C567 WeakPolarHBondContact CA-O 3.46Å; G495-C567 VanDerWaalsContact CA-CB 3.45Å; V563-C567 PolarHBondContact O-N 3.44Å; V563-C567 VanDerWaalsContact O-N 3.09Å; V563-C567 PolarHBondContact O-SG 3.14Å; A564-C567 WeakPolarHBondContact O-CA 3.31Å; A564-C567 WeakPolarHBondContact O-CB 3.45Å; A564-C567 PolarHBondContact O-N 3.06Å; C565-C567 VanDerWaalsContact C-N 3.27Å; C565-C567 PolarHBondContact O-N 3.17Å; C567-R576 WeakPolarHBondContact O-CD 3.44Å; C567-R576 WeakPolarHBondContact O-CG 3.32Å; C567-V582 VanDerWaalsContact SG-CG2 3.51Å
568V95.8Very high91.2Very high6 Ų655.7 Ų55.74%0.03628%0.277CS..SBendtrans-93.414.3-175.5-56.80000114.5Y492 V496 L499 V528 A564 C565 P570Y492-V568 HydrophobicContact CD2-CB 4.13Å; Y492-V568 HydrophobicContact CD2-CG1 4.49Å; Y492-V568 HydrophobicContact CE2-CB 3.96Å; Y492-V568 HydrophobicContact CE2-CG1 4.49Å; Y492-V568 WeakPolarHBondContact CE2-O 3.48Å; V496-V568 HydrophobicContact CG2-CG1 3.99Å; L499-V568 HydrophobicContact CD1-CG1 4.12Å; L499-V568 HydrophobicContact CD1-CG2 4.16Å; V528-V568 HydrophobicContact CG1-CB 4.03Å; V528-V568 HydrophobicContact CG1-CG2 4.01Å; V528-V568 HydrophobicContact CG2-CB 4.19Å; V528-V568 HydrophobicContact CG2-CG1 4.14Å; A564-V568 PolarHBondContact O-N 3.49Å; C565-V568 PolarHBondContact O-N 3.3Å; V568-P570 WeakPolarHBondContact O-CD 3.19Å; V568-P570 VanDerWaalsContact O-N 3.14Å
569L85.7Confident91.2Very high59 Ų5953.4 Ų53.431%0.30927%0.267SS..  trans-53118.9178-70173.7000111.2C565 N566 Q575 R576C565-L569 PolarHBondContact O-N 2.91Å; N566-L569 WeakPolarHBondContact O-CG 3.25Å; L569-Q575 HydrophobicContact CD1-CB 4.31Å; L569-R576 HydrophobicContact CB-CG 4.18Å; L569-R576 PolarHBondContact O-NE 2.97Å; L569-R576 PolarHBondContact O-NH2 3.05Å
570P72.9Confident90.9Very high67 Ų6749.8 Ų49.844%0.43525%0.251SS..SBendtrans-80.7-37.1-171.126.5-30.8000113.3P477 V568P477-P570 HydrophobicContact CG-CB 4.39Å; V568-P570 WeakPolarHBondContact O-CD 3.19Å; V568-P570 VanDerWaalsContact O-N 3.14Å
571E71.1Confident90.7Very high176 Ų17654.2 Ų54.282%0.82227%0.272SS*.SBendtrans-75.3-38.2-164.4-68.6166.5-174.400113.6
572I76.9Confident90.8Very high72 Ų7254.2 Ų54.237%0.36927%0.272SS..  trans-138.494.8-173.5-54.4170.9000110K574 Q575I572-K574 HydrophobicContact CG2-CB 4.05Å; I572-K574 PolarHBondContact O-N 2.93Å; I572-Q575 HydrophobicContact CB-CB 4.35Å; I572-Q575 HydrophobicContact CB-CG 3.97Å; I572-Q575 HydrophobicContact CG2-CB 4.37Å; I572-Q575 HydrophobicContact CG2-CG 3.78Å; I572-Q575 WeakPolarHBondContact O-CB 2.94Å; I572-Q575 PolarHBondContact O-N 3.5Å
573A85Confident90.7Very high24 Ų2449.3 Ų49.320%0.19825%0.25CS..G310 helixtrans-53.2-28.9177.100000113.7E478 K488 Q575 R576E478-A573 HydrophobicContact CG-CB 4.32Å; E478-A573 WeakPolarHBondContact OE1-CB 3.45Å; K488-A573 HydrophobicContact CB-CB 4.38Å; K488-A573 WeakPolarHBondContact CD-O 3.3Å; K488-A573 WeakPolarHBondContact CG-O 3.38Å; A573-Q575 VanDerWaalsContact C-N 3.28Å; A573-Q575 PolarHBondContact O-N 3.42Å; A573-R576 PolarHBondContact O-N 3.2Å
574K85Confident90.6Very high188 Ų18851.9 Ų51.982%0.81726%0.262SS*.G310 helixtrans-66.5-25176.5-65.8-173178.1-173.30113.8I572I572-K574 HydrophobicContact CG2-CB 4.05Å; I572-K574 PolarHBondContact O-N 2.93Å
575Q90.1Very high90.5Very high123 Ų12355.8 Ų55.858%0.57528%0.282SS*.G310 helixtrans-84.1-18-179.3-72.3179.8-7.300113.7L569 I572 A573L569-Q575 HydrophobicContact CD1-CB 4.31Å; I572-Q575 HydrophobicContact CB-CB 4.35Å; I572-Q575 HydrophobicContact CB-CG 3.97Å; I572-Q575 HydrophobicContact CG2-CB 4.37Å; I572-Q575 HydrophobicContact CG2-CG 3.78Å; I572-Q575 WeakPolarHBondContact O-CB 2.94Å; I572-Q575 PolarHBondContact O-N 3.5Å; A573-Q575 VanDerWaalsContact C-N 3.28Å; A573-Q575 PolarHBondContact O-N 3.42Å
576R94.6Very high90.6Very high3 Ų354.6 Ų54.61%0.01127%0.274CS..SBendtrans-58148.8172.4-61.3171.6-169.81499.8108.7E478 K488 V491 C567 L569 A573E478-R576 VanDerWaalsContact CD-NH1 3.34Å; E478-R576 IonicContact OE1-CZ 2.79Å; E478-R576 IonicContact OE1-NH1 2.8Å; E478-R576 PolarHBondContact OE1-NH1 3.4Å; E478-R576 IonicContact OE1-NH2 2.65Å; E478-R576 IonicContact OE2-CZ 2.74Å; E478-R576 IonicContact OE2-NH1 2.7Å; E478-R576 PolarHBondContact OE2-NH1 2.85Å; E478-R576 IonicContact OE2-NH2 2.8Å; E478-R576 PolarHBondContact OE2-NH2 3.07Å; K488-R576 HydrophobicContact CD-CB 4.22Å; K488-R576 PolarHBondContact NZ-O 3.38Å; K488-R576 PolarHBondContact O-NH1 3.22Å; V491-R576 HydrophobicContact CG1-CB 4.06Å; C567-R576 WeakPolarHBondContact O-CD 3.44Å; C567-R576 WeakPolarHBondContact O-CG 3.32Å; L569-R576 HydrophobicContact CB-CG 4.18Å; L569-R576 PolarHBondContact O-NE 2.97Å; L569-R576 PolarHBondContact O-NH2 3.05Å; A573-R576 PolarHBondContact O-N 3.2Å
577P94.8Very high90.5Very high19 Ų1954.6 Ų54.612%0.12327%0.268CS..PPolyproline II helixtrans-65.1172.2174.427.7-35.3000112K488 V491 N566 E581 V582K488-P577 PolarHBondContact NZ-O 3.26Å; V491-P577 HydrophobicContact CG1-CG 4.31Å; V491-P577 WeakPolarHBondContact CG2-O 3.4Å; N566-P577 VanDerWaalsContact O-CD 3.3Å; N566-P577 WeakPolarHBondContact O-CD 3.32Å; P577-E581 HydrophobicContact CB-CB 4.1Å; P577-V582 HydrophobicContact CB-CG2 3.91Å; P577-V582 HydrophobicContact CG-CG2 3.43Å; P577-V582 VanDerWaalsContact CG-CG2 3.43Å
578T94.3Very high90.4Very high41 Ų4157.7 Ų57.725%0.25229%0.294SS..PPolyproline II helixtrans-82.6157.7164.461.30000109.8F580 E581 V582T578-F580 PolarHBondContact O-N 2.88Å; T578-E581 WeakPolarHBondContact CB-OE2 3.5Å; T578-E581 PolarHBondContact N-OE2 3.26Å; T578-E581 PolarHBondContact O-N 2.85Å; T578-E581 VanDerWaalsContact O-N 3.15Å; T578-E581 VanDerWaalsContact OG1-CG 3.29Å; T578-E581 WeakPolarHBondContact OG1-CG 3.22Å; T578-E581 PolarHBondContact OG1-N 3.19Å; T578-E581 PolarHBondContact OG1-OE2 3.01Å; T578-V582 WeakPolarHBondContact O-CG2 3.37Å; T578-V582 PolarHBondContact O-N 3.44Å
579M94.5Very high90.4Very high0 Ų058.6 Ų58.60%030%0.298CS..Hα-helixtrans-61.8-28.8175.6-75.9-53.9-49.200112.7A411 L414 A415 H418 V491 F494 V582 Y583A411-M579 HydrophobicContact CB-CE 4.05Å; L414-M579 HydrophobicContact CB-CB 4.34Å; L414-M579 HydrophobicContact CB-CE 3.6Å; L414-M579 HydrophobicContact CB-CG 4.01Å; L414-M579 HydrophobicContact CB-SD 4.34Å; L414-M579 HydrophobicContact CD1-CE 3.66Å; L414-M579 HydrophobicContact CD1-SD 4.21Å; L414-M579 HydrophobicContact CG-CE 4.28Å; A415-M579 HydrophobicContact CB-CB 4.19Å; H418-M579 VanDerWaalsContact CE1-CG 3.47Å; H418-M579 WeakPolarHBondContact CE1-CG 3.43Å; H418-M579 WeakPolarHBondContact ND1-CG 3.29Å; V491-M579 HydrophobicContact CB-SD 4.27Å; V491-M579 HydrophobicContact CG2-CG 3.72Å; V491-M579 HydrophobicContact CG2-SD 3.7Å; F494-M579 HydrophobicContact CB-CE 4.27Å; F494-M579 HydrophobicContact CB-SD 4.1Å; F494-M579 HydrophobicContact CD1-CE 3.36Å; F494-M579 HydrophobicContact CD1-SD 3.95Å; F494-M579 HydrophobicContact CE1-CE 3.77Å; F494-M579 HydrophobicContact CG-CE 3.79Å; F494-M579 HydrophobicContact CG-SD 4.24Å; M579-V582 HydrophobicContact CE-CB 4.44Å; M579-V582 HydrophobicContact CE-CG1 4.36Å; M579-Y583 WeakPolarHBondContact O-CB 3.34Å; M579-Y583 PolarHBondContact O-N 2.79Å
580F90.9Very high90.7Very high40 Ų4056 Ų5618%0.17529%0.285CS..Hα-helixtrans-64.3-48.3172.5-178.2-98.1000112A415 T578 V582 Y583 Q584 I601 I603A415-F580 HydrophobicContact CB-CB 4.43Å; T578-F580 PolarHBondContact O-N 2.88Å; F580-V582 VanDerWaalsContact C-N 3.34Å; F580-V582 PolarHBondContact O-N 3.5Å; F580-Y583 WeakPolarHBondContact O-CB 3.39Å; F580-Y583 PolarHBondContact O-N 3.39Å; F580-Q584 HydrophobicContact CD1-CG 4.24Å; F580-Q584 HydrophobicContact CE1-CG 3.86Å; F580-Q584 HydrophobicContact CZ-CG 4.03Å; F580-Q584 WeakPolarHBondContact O-CG 3.47Å; F580-Q584 PolarHBondContact O-N 2.94Å; F580-I601 HydrophobicContact CD2-CG2 4.46Å; F580-I601 HydrophobicContact CE2-CB 4.3Å; F580-I601 HydrophobicContact CE2-CG2 4.35Å; F580-I603 HydrophobicContact CD1-CD1 3.86Å; F580-I603 HydrophobicContact CD2-CD1 3.91Å; F580-I603 HydrophobicContact CD2-CG1 4.38Å; F580-I603 HydrophobicContact CE1-CD1 3.53Å; F580-I603 HydrophobicContact CE2-CD1 3.58Å; F580-I603 HydrophobicContact CE2-CG1 3.9Å; F580-I603 HydrophobicContact CG-CD1 4.04Å; F580-I603 HydrophobicContact CZ-CD1 3.37Å; F580-I603 HydrophobicContact CZ-CG1 4.04Å
581E94.9Very high91.5Very high95 Ų9559.9 Ų59.944%0.44430%0.297SS..Hα-helixtrans-61.2-42.2175.8-71161.8138.900111.7P577 T578 Y583 Q584 L585P577-E581 HydrophobicContact CB-CB 4.1Å; T578-E581 WeakPolarHBondContact CB-OE2 3.5Å; T578-E581 PolarHBondContact N-OE2 3.26Å; T578-E581 PolarHBondContact O-N 2.85Å; T578-E581 VanDerWaalsContact O-N 3.15Å; T578-E581 VanDerWaalsContact OG1-CG 3.29Å; T578-E581 WeakPolarHBondContact OG1-CG 3.22Å; T578-E581 PolarHBondContact OG1-N 3.19Å; T578-E581 PolarHBondContact OG1-OE2 3.01Å; E581-Y583 VanDerWaalsContact C-N 3.35Å; E581-Y583 PolarHBondContact O-N 2.9Å; E581-Q584 PolarHBondContact O-N 3.11Å; E581-L585 VanDerWaalsContact O-CG 3.29Å; E581-L585 WeakPolarHBondContact O-CG 3.4Å; E581-L585 PolarHBondContact O-N 3.38Å
582V97.9Very high92.4Very high0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-59.1-46.2175175.70000111A411 F494 L498 V563 C567 P577 T578 M579 F580 Q584 L585 L586A411-V582 HydrophobicContact CB-CG1 4.41Å; F494-V582 HydrophobicContact CD1-CG1 3.98Å; F494-V582 HydrophobicContact CE1-CG1 3.63Å; L498-V582 HydrophobicContact CD1-CG1 4.39Å; V563-V582 HydrophobicContact CG1-CG1 3.99Å; C567-V582 VanDerWaalsContact SG-CG2 3.51Å; P577-V582 HydrophobicContact CB-CG2 3.91Å; P577-V582 HydrophobicContact CG-CG2 3.43Å; P577-V582 VanDerWaalsContact CG-CG2 3.43Å; T578-V582 WeakPolarHBondContact O-CG2 3.37Å; T578-V582 PolarHBondContact O-N 3.44Å; M579-V582 HydrophobicContact CE-CB 4.44Å; M579-V582 HydrophobicContact CE-CG1 4.36Å; F580-V582 VanDerWaalsContact C-N 3.34Å; F580-V582 PolarHBondContact O-N 3.5Å; V582-Q584 PolarHBondContact O-N 3.36Å; V582-L585 PolarHBondContact O-N 2.93Å; V582-L586 HydrophobicContact CG1-CD1 3.85Å; V582-L586 HydrophobicContact CG1-CG 4.33Å; V582-L586 VanDerWaalsContact O-CG 3.3Å; V582-L586 WeakPolarHBondContact O-CG 3.31Å; V582-L586 PolarHBondContact O-N 2.83Å
583Y95.6Very high93Very high6 Ų655 Ų552%0.02428%0.279CS..Hα-helixtrans-58.5-46.5175.6166.7-114.1000112I408 K412 M579 F580 E581 L585 L586 R587 D600I408-Y583 HydrophobicContact CG2-CD2 4.3Å; I408-Y583 HydrophobicContact CG2-CE2 3.93Å; K412-Y583 HydrophobicContact CB-CD2 3.65Å; K412-Y583 HydrophobicContact CB-CE2 3.57Å; K412-Y583 HydrophobicContact CB-CG 4.39Å; K412-Y583 HydrophobicContact CD-CE2 3.95Å; K412-Y583 HydrophobicContact CG-CD2 4.33Å; K412-Y583 HydrophobicContact CG-CE2 3.88Å; M579-Y583 WeakPolarHBondContact O-CB 3.34Å; M579-Y583 PolarHBondContact O-N 2.79Å; F580-Y583 WeakPolarHBondContact O-CB 3.39Å; F580-Y583 PolarHBondContact O-N 3.39Å; E581-Y583 VanDerWaalsContact C-N 3.35Å; E581-Y583 PolarHBondContact O-N 2.9Å; Y583-L585 PolarHBondContact O-N 3.3Å; Y583-L586 PolarHBondContact O-N 3.18Å; Y583-R587 HydrophobicContact CE2-CB 4.47Å; Y583-R587 VanDerWaalsContact O-CB 3.25Å; Y583-R587 WeakPolarHBondContact O-CB 3.46Å; Y583-R587 PolarHBondContact O-N 3.28Å; Y583-D600 PolarHBondContact OH-OD1 3.5Å
584Q94.6Very high92.8Very high64 Ų6460.6 Ų60.630%0.29931%0.306SS..Hα-helixtrans-63-41.9179.1-65.4-61.9-14.500112.2F580 E581 V582 R587 A588F580-Q584 HydrophobicContact CD1-CG 4.24Å; F580-Q584 HydrophobicContact CE1-CG 3.86Å; F580-Q584 HydrophobicContact CZ-CG 4.03Å; F580-Q584 WeakPolarHBondContact O-CG 3.47Å; F580-Q584 PolarHBondContact O-N 2.94Å; E581-Q584 PolarHBondContact O-N 3.11Å; V582-Q584 PolarHBondContact O-N 3.36Å; Q584-R587 PolarHBondContact O-N 3.02Å; Q584-A588 WeakPolarHBondContact O-CB 3.39Å; Q584-A588 PolarHBondContact O-N 2.69Å
585L97.4Very high92.5Very high81 Ų8154.4 Ų54.442%0.42428%0.279SS..Hα-helixtrans-62.8-47.5176.8-70.5169000111.7V563 E581 V582 Y583 A588 I589V563-L585 HydrophobicContact CG2-CB 3.93Å; V563-L585 HydrophobicContact CG2-CD1 4.19Å; E581-L585 VanDerWaalsContact O-CG 3.29Å; E581-L585 WeakPolarHBondContact O-CG 3.4Å; E581-L585 PolarHBondContact O-N 3.38Å; V582-L585 PolarHBondContact O-N 2.93Å; Y583-L585 PolarHBondContact O-N 3.3Å; L585-A588 PolarHBondContact O-N 3.4Å; L585-I589 WeakPolarHBondContact O-CD1 3.34Å; L585-I589 VanDerWaalsContact O-CG1 3.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.31Å; L585-I589 PolarHBondContact O-N 3.45Å; L585-I589 VanDerWaalsContact O-N 3.09Å
586L97.5Very high91.3Very high0 Ų052.8 Ų52.80%028%0.278CS..Hα-helixtrans-65.5-40.2178.6-66.5173.8000111.9A407 I408 A411 F494 L498 V560 V563 V582 Y583 I589 G590A407-L586 HydrophobicContact CB-CD1 4.2Å; I408-L586 WeakPolarHBondContact CD1-O 3.37Å; I408-L586 HydrophobicContact CG1-CB 3.76Å; A411-L586 HydrophobicContact CB-CD1 3.83Å; F494-L586 HydrophobicContact CE1-CD1 4Å; F494-L586 HydrophobicContact CZ-CD1 4.18Å; L498-L586 HydrophobicContact CD1-CD1 4.36Å; L498-L586 HydrophobicContact CD2-CD1 3.98Å; L498-L586 HydrophobicContact CD2-CD2 4.35Å; V560-L586 HydrophobicContact CB-CD2 4.38Å; V560-L586 HydrophobicContact CG1-CD2 3.93Å; V560-L586 HydrophobicContact CG2-CD2 3.9Å; V563-L586 HydrophobicContact CG1-CD2 4.29Å; V563-L586 HydrophobicContact CG1-CG 4.44Å; V582-L586 HydrophobicContact CG1-CD1 3.85Å; V582-L586 HydrophobicContact CG1-CG 4.33Å; V582-L586 VanDerWaalsContact O-CG 3.3Å; V582-L586 WeakPolarHBondContact O-CG 3.31Å; V582-L586 PolarHBondContact O-N 2.83Å; Y583-L586 PolarHBondContact O-N 3.18Å; L586-I589 PolarHBondContact O-N 3.16Å; L586-G590 PolarHBondContact O-N 3.39Å
587R94.2Very high89.5Confident83 Ų8354.4 Ų54.431%0.31329%0.292SS..Hα-helixtrans-60.8-44.9175.3-178.4-170.1173.1-176.510.9111.5Y583 Q584 I589 G590 E591 D600Y583-R587 HydrophobicContact CE2-CB 4.47Å; Y583-R587 VanDerWaalsContact O-CB 3.25Å; Y583-R587 WeakPolarHBondContact O-CB 3.46Å; Y583-R587 PolarHBondContact O-N 3.28Å; Q584-R587 PolarHBondContact O-N 3.02Å; R587-I589 VanDerWaalsContact C-N 3.29Å; R587-I589 PolarHBondContact O-N 3.09Å; R587-G590 CarbonylContact O-C 3.58Å; R587-G590 PolarHBondContact O-N 3.34Å; R587-G590 VanDerWaalsContact O-N 3.16Å; R587-E591 PolarHBondContact O-N 2.65Å; R587-E591 VanDerWaalsContact O-N 3.13Å; R587-D600 IonicContact CZ-OD1 3.22Å; R587-D600 IonicContact CZ-OD2 3.26Å; R587-D600 VanDerWaalsContact NH1-CG 3.25Å; R587-D600 IonicContact NH1-OD1 2.84Å; R587-D600 PolarHBondContact NH1-OD1 3.41Å; R587-D600 VanDerWaalsContact NH1-OD1 3.13Å; R587-D600 IonicContact NH1-OD2 3.79Å; R587-D600 PolarHBondContact NH1-OD2 3.3Å; R587-D600 IonicContact NH2-OD1 2.69Å; R587-D600 IonicContact NH2-OD2 3.03Å; R587-D600 PolarHBondContact NH2-OD2 2.87Å
588A94.6Very high87.6Confident65 Ų6560 Ų6054%0.53732%0.321SS..Hα-helixtrans-63.9-34.9177.600000112.2Q584 L585Q584-A588 WeakPolarHBondContact O-CB 3.39Å; Q584-A588 PolarHBondContact O-N 2.69Å; L585-A588 PolarHBondContact O-N 3.4Å
589I95.5Very high85.7Confident25 Ų2562.4 Ų62.413%0.12833%0.332CS..Hα-helixtrans-66.5-40173.4-64.8161000110.8L404 E556 K559 V560 V563 L585 L586 R587 E591L404-I589 HydrophobicContact CD2-CG2 4.46Å; E556-I589 HydrophobicContact CB-CG2 3.95Å; E556-I589 HydrophobicContact CG-CG2 4.4Å; K559-I589 HydrophobicContact CB-CD1 3.6Å; K559-I589 HydrophobicContact CB-CG1 3.84Å; K559-I589 HydrophobicContact CB-CG2 4.47Å; K559-I589 HydrophobicContact CD-CG1 4.22Å; V560-I589 HydrophobicContact CG2-CD1 3.88Å; V560-I589 HydrophobicContact CG2-CG2 4.05Å; V563-I589 HydrophobicContact CG2-CD1 4.14Å; L585-I589 WeakPolarHBondContact O-CD1 3.34Å; L585-I589 VanDerWaalsContact O-CG1 3.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.31Å; L585-I589 PolarHBondContact O-N 3.45Å; L585-I589 VanDerWaalsContact O-N 3.09Å; L586-I589 PolarHBondContact O-N 3.16Å; R587-I589 VanDerWaalsContact C-N 3.29Å; R587-I589 PolarHBondContact O-N 3.09Å; I589-E591 PolarHBondContact O-N 3.41Å
590G93Very high83.9Confident3 Ų365.2 Ų65.23%0.03135%0.347CS..THydrogen-bonded Turntrans-88.513.3-17800000116.1L586 R587 S592 Y593L586-G590 PolarHBondContact O-N 3.39Å; R587-G590 CarbonylContact O-C 3.58Å; R587-G590 PolarHBondContact O-N 3.34Å; R587-G590 VanDerWaalsContact O-N 3.16Å; G590-S592 PolarHBondContact O-N 3Å; G590-Y593 PolarHBondContact O-N 3.44Å; G590-Y593 VanDerWaalsContact O-N 3.07Å
591E89.9Confident82.1Confident150 Ų15064.2 Ų64.270%0.70134%0.344SS*.G310 helixtrans-56.6-36.3-175.5-173.9174-162.700112.4R587 I589 Y593 N594R587-E591 PolarHBondContact O-N 2.65Å; R587-E591 VanDerWaalsContact O-N 3.13Å; I589-E591 PolarHBondContact O-N 3.41Å; E591-Y593 PolarHBondContact O-N 2.85Å; E591-N594 PolarHBondContact O-N 3.4Å
592S88.7Confident79.9Confident80 Ų8067.5 Ų67.556%0.55936%0.363SS*.G310 helixtrans-61.8-24.9178.656.60000114.3G590G590-S592 PolarHBondContact O-N 3Å
593Y89.3Confident77.3Confident65 Ų6571.8 Ų71.826%0.25539%0.385SS..G310 helixtrans-88.9-6.9-176.3-61.6-80.5000113.8P401 L404 V553 E556 G590 E591 F595P401-Y593 HydrophobicContact CB-CD1 4.02Å; P401-Y593 HydrophobicContact CB-CE1 3.75Å; P401-Y593 HydrophobicContact CG-CD1 4.34Å; P401-Y593 HydrophobicContact CG-CE1 3.61Å; L404-Y593 HydrophobicContact CD2-CD2 3.86Å; L404-Y593 HydrophobicContact CD2-CE2 3.64Å; V553-Y593 WeakPolarHBondContact CG1-OH 3.36Å; E556-Y593 VanDerWaalsContact OE2-CE2 3.24Å; E556-Y593 WeakPolarHBondContact OE2-CE2 3.33Å; E556-Y593 PolarHBondContact OE2-OH 2.94Å; G590-Y593 PolarHBondContact O-N 3.44Å; G590-Y593 VanDerWaalsContact O-N 3.07Å; E591-Y593 PolarHBondContact O-N 2.85Å; Y593-F595 HydrophobicContact CD1-CZ 4.27Å; Y593-F595 AromaticContact CD2-CE2 3.94Å; Y593-F595 HydrophobicContact CD2-CE2 3.94Å; Y593-F595 HydrophobicContact CD2-CZ 4.02Å; Y593-F595 HydrophobicContact CG-CE1 4.24Å; Y593-F595 AromaticContact CG-CE2 3.92Å; Y593-F595 HydrophobicContact CG-CE2 3.92Å; Y593-F595 AromaticContact CG-CZ 3.62Å; Y593-F595 HydrophobicContact CG-CZ 3.62Å; Y593-F595 PolarHBondContact O-N 3.49Å; Y593-F595 VanDerWaalsContact O-N 3.17Å
594N81Confident74.3Confident142 Ų14276.9 Ų76.976%0.75942%0.419SS*.THydrogen-bonded Turntrans49.440.2-178.8-68.9-43.6000113.7E591 T596E591-N594 PolarHBondContact O-N 3.4Å; N594-T596 PolarHBondContact O-N 3.23Å
595F80.4Confident71.1Confident58 Ų5878.3 Ų78.325%0.25444%0.436SS..  trans-57.4135.8172.5-57.9-50.7000109.7L404 K405 I408 Y593 A597L404-F595 HydrophobicContact CD2-CE2 4.3Å; L404-F595 HydrophobicContact CG-CE2 4.1Å; K405-F595 HydrophobicContact CB-CD1 4.21Å; K405-F595 HydrophobicContact CB-CE1 3.7Å; K405-F595 HydrophobicContact CB-CE2 4.36Å; K405-F595 HydrophobicContact CB-CZ 3.77Å; K405-F595 HydrophobicContact CD-CD1 4.41Å; K405-F595 HydrophobicContact CD-CE1 4.25Å; K405-F595 HydrophobicContact CG-CD1 4.06Å; K405-F595 HydrophobicContact CG-CE1 3.99Å; I408-F595 HydrophobicContact CD1-CD2 3.51Å; I408-F595 HydrophobicContact CD1-CE2 3.71Å; Y593-F595 HydrophobicContact CD1-CZ 4.27Å; Y593-F595 AromaticContact CD2-CE2 3.94Å; Y593-F595 HydrophobicContact CD2-CE2 3.94Å; Y593-F595 HydrophobicContact CD2-CZ 4.02Å; Y593-F595 HydrophobicContact CG-CE1 4.24Å; Y593-F595 AromaticContact CG-CE2 3.92Å; Y593-F595 HydrophobicContact CG-CE2 3.92Å; Y593-F595 AromaticContact CG-CZ 3.62Å; Y593-F595 HydrophobicContact CG-CZ 3.62Å; Y593-F595 PolarHBondContact O-N 3.49Å; Y593-F595 VanDerWaalsContact O-N 3.17Å; F595-A597 PolarHBondContact O-N 2.9Å; F595-A597 VanDerWaalsContact O-N 3.16Å
596T64.8Low67.9Low88 Ų8884.3 Ų84.354%0.5446%0.462SS..  trans-51.1120.6-170.456.80000112.7R356 N594R356-T596 PolarHBondContact NH1-OG1 2.86Å; N594-T596 PolarHBondContact O-N 3.23Å
597A57Low64.6Low38 Ų3888.8 Ų88.831%0.31449%0.493SS..  trans-94.4-2.2-179.700000113.9F595 D599 D600F595-A597 PolarHBondContact O-N 2.9Å; F595-A597 VanDerWaalsContact O-N 3.16Å; A597-D599 PolarHBondContact O-N 2.83Å; A597-D600 PolarHBondContact O-N 3.37Å; A597-D600 VanDerWaalsContact O-N 3.12Å
598D53.7Low61.5Low136 Ų13688 Ų8873%0.72751%0.511SS*.SBendtrans-57.5-15.9-162-61.3-24.3000117.2
599D55Low58.4Low91 Ų9195 Ų9549%0.48753%0.533SS..SBendtrans-123.162.4171.8-64.2-15.9000110.3R356 K412 A597 I601R356-D599 VanDerWaalsContact CZ-CG 3.47Å; R356-D599 IonicContact CZ-OD2 2.76Å; R356-D599 IonicContact NE-OD2 3.69Å; R356-D599 PolarHBondContact NE-OD2 2.91Å; R356-D599 IonicContact NH2-OD1 3.46Å; R356-D599 PolarHBondContact NH2-OD1 2.8Å; R356-D599 VanDerWaalsContact NH2-OD1 3.14Å; R356-D599 IonicContact NH2-OD2 3.29Å; R356-D599 PolarHBondContact NH2-OD2 3.07Å; K412-D599 WeakPolarHBondContact CE-O 3.43Å; K412-D599 PolarHBondContact NZ-O 2.73Å; A597-D599 PolarHBondContact O-N 2.83Å; D599-I601 PolarHBondContact O-N 3.33Å
600D55.7Low55.4Low59 Ų5996.9 Ų96.932%0.31656%0.559SS.*  trans-61.7139171.1-89.1-25.1000110.5Y583 R587 A597 L602Y583-D600 PolarHBondContact OH-OD1 3.5Å; R587-D600 IonicContact CZ-OD1 3.22Å; R587-D600 IonicContact CZ-OD2 3.26Å; R587-D600 VanDerWaalsContact NH1-CG 3.25Å; R587-D600 IonicContact NH1-OD1 2.84Å; R587-D600 PolarHBondContact NH1-OD1 3.41Å; R587-D600 VanDerWaalsContact NH1-OD1 3.13Å; R587-D600 IonicContact NH1-OD2 3.79Å; R587-D600 PolarHBondContact NH1-OD2 3.3Å; R587-D600 IonicContact NH2-OD1 2.69Å; R587-D600 IonicContact NH2-OD2 3.03Å; R587-D600 PolarHBondContact NH2-OD2 2.87Å; A597-D600 PolarHBondContact O-N 3.37Å; A597-D600 VanDerWaalsContact O-N 3.12Å; D600-L602 PolarHBondContact O-N 3.39Å
601I54.7Low52.3Low20 Ų20104.1 Ų104.110%0.10360%0.597CS.*  trans-66.996.9176.3-61.7167.7000107.1K412 A415 W416 S420 F580 D599 I603K412-I601 HydrophobicContact CG-CD1 4.49Å; A415-I601 HydrophobicContact CB-CD1 3.62Å; W416-I601 HydrophobicContact CB-CD1 4.23Å; S420-I601 WeakPolarHBondContact OG-CG2 3.01Å; F580-I601 HydrophobicContact CD2-CG2 4.46Å; F580-I601 HydrophobicContact CE2-CB 4.3Å; F580-I601 HydrophobicContact CE2-CG2 4.35Å; D599-I601 PolarHBondContact O-N 3.33Å; I601-I603 HydrophobicContact CG2-CG1 4.44Å; I601-I603 PolarHBondContact O-N 3.48Å; I601-I603 VanDerWaalsContact O-N 3.13Å
602L47Very low49.5Very low164 Ų164106.6 Ų106.686%0.85961%0.605SS**  trans-69103.7166.9-69.8168.4000107.4D600D600-L602 PolarHBondContact O-N 3.39Å
603I43.5Very low46.8Very low90 Ų90110.8 Ų110.846%0.46262%0.62SS.*PPolyproline II helixtrans-70129.9164.7-57.7179.1000106.4F580 I601 S605F580-I603 HydrophobicContact CD1-CD1 3.86Å; F580-I603 HydrophobicContact CD2-CD1 3.91Å; F580-I603 HydrophobicContact CD2-CG1 4.38Å; F580-I603 HydrophobicContact CE1-CD1 3.53Å; F580-I603 HydrophobicContact CE2-CD1 3.58Å; F580-I603 HydrophobicContact CE2-CG1 3.9Å; F580-I603 HydrophobicContact CG-CD1 4.04Å; F580-I603 HydrophobicContact CZ-CD1 3.37Å; F580-I603 HydrophobicContact CZ-CG1 4.04Å; I601-I603 HydrophobicContact CG2-CG1 4.44Å; I601-I603 PolarHBondContact O-N 3.48Å; I601-I603 VanDerWaalsContact O-N 3.13Å; I603-S605 PolarHBondContact O-N 3.48Å; I603-S605 VanDerWaalsContact O-N 3.12Å
604P32.6Very low43.8Very low113 Ų113114.7 Ų114.773%0.73464%0.64SS**PPolyproline II helixtrans-56.1119.8165-19.230.9000108.1E606P604-E606 PolarHBondContact O-N 2.89Å
605S27.9Very low41.2Very low93 Ų93116 Ų11665%0.6564%0.642SS**PPolyproline II helixtrans-51131178.349.50000110I603 S607I603-S605 PolarHBondContact O-N 3.48Å; I603-S605 VanDerWaalsContact O-N 3.12Å; S605-S607 PolarHBondContact O-N 3.02Å; S605-S607 PolarHBondContact OG-OG 3.29Å; S605-S607 VanDerWaalsContact OG-OG 3.04Å
606E30.7Very low38.5Very low208 Ų208120.3 Ų120.397%0.97267%0.667SS**SBendtrans-64.574.2164.3-74.1-176.7165.300108.3P604P604-E606 PolarHBondContact O-N 2.89Å
607S28.3Very low36.7Very low93 Ų93122.7 Ų122.765%0.6568%0.675SS**  trans-144.774.9174.764.70000107.6S605S605-S607 PolarHBondContact O-N 3.02Å; S605-S607 PolarHBondContact OG-OG 3.29Å; S605-S607 VanDerWaalsContact OG-OG 3.04Å
608G29.3Very low35.4Very low68 Ų68126.8 Ų126.870%0.70170%0.696SS**  trans177.994.3176.600000108.7G610G608-G610 PolarHBondContact O-N 3.04Å
609E28.5Very low34.1Very low211 Ų211124.4 Ų124.499%0.98669%0.694SS**  trans-43.3123165.9-65.3171.5146.700110
610G31.5Very low32.7Very low65 Ų65135.3 Ų135.367%0.6773%0.729SS**  trans161.193.8176.900000112.9G608G608-G610 PolarHBondContact O-N 3.04Å
611D29Very low31.5Very low155 Ų155139.2 Ų139.283%0.82975%0.75SS**  trans67.597.4164.2-58.4-19.7000116.7I613D611-I613 PolarHBondContact O-N 3.41Å
612F31.6Very low30.3Very low201 Ų201145.4 Ų145.488%0.88278%0.784SS**  trans-35.6114.7145.8-77.9-96000108.7E614F612-E614 PolarHBondContact O-N 3.38Å
613I30.8Very low29.4Very low168 Ų168144.4 Ų144.486%0.86278%0.779SS**  trans-64.286.6157.4-64.5172.3000104.1D611 E615D611-I613 PolarHBondContact O-N 3.41Å; I613-E615 PolarHBondContact O-N 3.43Å
614E26.5Very low28.6Very low148 Ų148147.6 Ų147.669%0.69280%0.798SS**  trans-47.1118.3164.1-77.4-175.8152.400106F612 L616F612-E614 PolarHBondContact O-N 3.38Å; E614-L616 PolarHBondContact O-N 3.12Å
615E27.3Very low28.3Very low170 Ų170149.8 Ų149.879%0.79480%0.802SS**  trans-51.795.4153.5-75.5-177.8150.100105.5I613 I617I613-E615 PolarHBondContact O-N 3.43Å; E615-I617 HydrophobicContact CB-CG1 4.42Å; E615-I617 PolarHBondContact O-N 3.13Å
616L24Very low28.3Very low148 Ų148153.5 Ų153.578%0.77581%0.812SS**  trans-64.174.2168.8-92.9154.6000107.2E614 V618E614-L616 PolarHBondContact O-N 3.12Å; L616-V618 PolarHBondContact O-N 3.44Å
617I26.2Very low28.2Very low138 Ų138149.6 Ų149.671%0.70880%0.801SS**  trans-6891.2155.9-63.8172.7000103.9E615 A619E615-I617 HydrophobicContact CB-CG1 4.42Å; E615-I617 PolarHBondContact O-N 3.13Å; I617-A619 PolarHBondContact O-N 3.29Å
618V30Very low28.2Very low124 Ų124154 Ų15475%0.75281%0.813SS**  trans-57.1121.7166.1-179.50000106.8L616L616-V618 PolarHBondContact O-N 3.44Å
619A25.9Very low28.1Very low85 Ų85161.2 Ų161.270%0.70282%0.822SS**  trans-60.9168.5-164.800000115.4I617I617-A619 PolarHBondContact O-N 3.29Å
620R25.7Very low28Very low321 Ų321156.6 Ų156.6100%1.21181%0.807SS**  trans-50.50154.7-85.7-175175.4-175.5-0.7112.3

Retrieved 620 of 620 residues in 2437 ms (Link to these results)

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