A0A078BPG0_CAEEL Loading...

DUF4440 domain-containing protein

AlphaFold DB , UniProt , Accession A0A078BPG0, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 124 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
1M80.1Confident95.9Very high170 Ų17062.5 Ų62.584%0.83734%0.339SS*.  01440-74.3178.4167.500108.5F5M1-F5 HydrophobicContact CB-CB 4.33Å; M1-F5 HydrophobicContact CB-CD1 4Å; M1-F5 HydrophobicContact CB-CG 4.19Å; M1-F5 HydrophobicContact CE-CD1 4.26Å; M1-F5 HydrophobicContact CE-CE1 3.52Å; M1-F5 HydrophobicContact CE-CE2 4.09Å; M1-F5 HydrophobicContact CE-CZ 3.41Å; M1-F5 VanDerWaalsContact CE-CZ 3.41Å; M1-F5 HydrophobicContact CG-CD1 4Å; M1-F5 HydrophobicContact CG-CE1 4.21Å; M1-F5 HydrophobicContact CG-CG 4.27Å; M1-F5 HydrophobicContact SD-CD1 3.39Å; M1-F5 WeakPolarHBondContact SD-CD1 3.42Å; M1-F5 HydrophobicContact SD-CE1 3.12Å; M1-F5 WeakPolarHBondContact SD-CE1 3.37Å; M1-F5 HydrophobicContact SD-CE2 4.41Å; M1-F5 HydrophobicContact SD-CG 4.19Å; M1-F5 HydrophobicContact SD-CZ 3.7Å
2S93.5Very high96.2Very high60 Ų6057.5 Ų57.542%0.4231%0.312SS..  trans-73.9164.3-179.261.50000111.8L4 F5 Q6S2-L4 VanDerWaalsContact C-N 3.29Å; S2-L4 PolarHBondContact O-N 3.49Å; S2-F5 WeakPolarHBondContact O-CB 3.34Å; S2-F5 PolarHBondContact O-N 2.87Å; S2-F5 WeakPolarHBondContact OG-CB 3.3Å; S2-F5 PolarHBondContact OG-N 3.05Å; S2-F5 VanDerWaalsContact OG-N 3.14Å; S2-Q6 PolarHBondContact O-N 3.24Å
3A95.8Very high96.4Very high75 Ų7561.5 Ų61.562%0.6233%0.327SS*.Hα-helixtrans-58.2-44170.900000111.1F5 Q6 E7A3-F5 VanDerWaalsContact C-N 3.3Å; A3-F5 PolarHBondContact O-N 2.82Å; A3-Q6 PolarHBondContact O-N 2.73Å; A3-E7 WeakPolarHBondContact O-CG 3.26Å; A3-E7 PolarHBondContact O-N 3.16Å
4L97.6Very high96.5Very high33 Ų3362.4 Ų62.417%0.17333%0.332CS..Hα-helixtrans-54.4-44.1175.6178.161.8000112.5S2 Q6 E7 V8 V73 A80 W110S2-L4 VanDerWaalsContact C-N 3.29Å; S2-L4 PolarHBondContact O-N 3.49Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 2.81Å; L4-E7 PolarHBondContact O-N 3.39Å; L4-V8 HydrophobicContact CD1-CG2 4.19Å; L4-V8 PolarHBondContact O-N 2.79Å; L4-V73 HydrophobicContact CD2-CG1 4.15Å; L4-V73 HydrophobicContact CG-CG1 3.8Å; L4-A80 HydrophobicContact CD1-CB 3.97Å; L4-A80 HydrophobicContact CD2-CB 4.04Å; L4-A80 HydrophobicContact CG-CB 4.41Å; L4-W110 HydrophobicContact CD1-CH2 4.19Å; L4-W110 HydrophobicContact CD1-CZ2 3.46Å; L4-W110 VanDerWaalsContact CD1-CZ2 3.46Å
5F98.5Very high96.7Very high13 Ų1359.3 Ų59.36%0.05732%0.315CS..Hα-helixtrans-59-42.8176.7-177.3-76.9000111.7M1 S2 A3 K9 T70 V73M1-F5 HydrophobicContact CB-CB 4.33Å; M1-F5 HydrophobicContact CB-CD1 4Å; M1-F5 HydrophobicContact CB-CG 4.19Å; M1-F5 HydrophobicContact CE-CD1 4.26Å; M1-F5 HydrophobicContact CE-CE1 3.52Å; M1-F5 HydrophobicContact CE-CE2 4.09Å; M1-F5 HydrophobicContact CE-CZ 3.41Å; M1-F5 VanDerWaalsContact CE-CZ 3.41Å; M1-F5 HydrophobicContact CG-CD1 4Å; M1-F5 HydrophobicContact CG-CE1 4.21Å; M1-F5 HydrophobicContact CG-CG 4.27Å; M1-F5 HydrophobicContact SD-CD1 3.39Å; M1-F5 WeakPolarHBondContact SD-CD1 3.42Å; M1-F5 HydrophobicContact SD-CE1 3.12Å; M1-F5 WeakPolarHBondContact SD-CE1 3.37Å; M1-F5 HydrophobicContact SD-CE2 4.41Å; M1-F5 HydrophobicContact SD-CG 4.19Å; M1-F5 HydrophobicContact SD-CZ 3.7Å; S2-F5 WeakPolarHBondContact O-CB 3.34Å; S2-F5 PolarHBondContact O-N 2.87Å; S2-F5 WeakPolarHBondContact OG-CB 3.3Å; S2-F5 PolarHBondContact OG-N 3.05Å; S2-F5 VanDerWaalsContact OG-N 3.14Å; A3-F5 VanDerWaalsContact C-N 3.3Å; A3-F5 PolarHBondContact O-N 2.82Å; F5-K9 HydrophobicContact CE1-CB 4.32Å; F5-K9 HydrophobicContact CE1-CD 3.72Å; F5-K9 HydrophobicContact CZ-CD 4.45Å; F5-K9 WeakPolarHBondContact O-CB 3.48Å; F5-K9 PolarHBondContact O-N 2.74Å; F5-T70 HydrophobicContact CD2-CG2 4.33Å; F5-T70 HydrophobicContact CE2-CG2 3.64Å; F5-T70 HydrophobicContact CZ-CG2 3.75Å; F5-V73 HydrophobicContact CB-CB 4.28Å; F5-V73 HydrophobicContact CD2-CB 3.91Å; F5-V73 HydrophobicContact CD2-CG2 3.77Å; F5-V73 HydrophobicContact CE2-CG2 4.23Å; F5-V73 HydrophobicContact CG-CB 4.44Å; F5-V73 HydrophobicContact CG-CG2 4.33Å
6Q98Very high96.8Very high101 Ų10157.9 Ų57.947%0.47231%0.306SS..Hα-helixtrans-69.9-37.4179.2-61.7-58-3100112.1S2 A3 L4 G10S2-Q6 PolarHBondContact O-N 3.24Å; A3-Q6 PolarHBondContact O-N 2.73Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 2.81Å; Q6-G10 PolarHBondContact O-N 3.01Å
7E97.9Very high96.9Very high84 Ų8464.1 Ų64.139%0.39333%0.33SS..Hα-helixtrans-60.6-52175.9-70.4-179.417700111A3 L4 G10 R11 K105 W110A3-E7 WeakPolarHBondContact O-CG 3.26Å; A3-E7 PolarHBondContact O-N 3.16Å; L4-E7 PolarHBondContact O-N 3.39Å; E7-G10 PolarHBondContact O-N 2.8Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 2.83Å; E7-R11 VanDerWaalsContact O-N 3.17Å; E7-K105 IonicContact OE1-NZ 3.84Å; E7-K105 IonicContact OE2-NZ 3.16Å; E7-K105 PolarHBondContact OE2-NZ 3.2Å; E7-K105 VanDerWaalsContact OE2-NZ 3.16Å; E7-W110 PolarHBondContact OE2-NE1 2.93Å
8V98.6Very high97Very high0 Ų061.2 Ų61.20%032%0.317CS..Hα-helixtrans-64-45.7179.3170.30000111.3L4 G10 R11 Q12 V73 E82 W103L4-V8 HydrophobicContact CD1-CG2 4.19Å; L4-V8 PolarHBondContact O-N 2.79Å; V8-G10 PolarHBondContact O-N 2.87Å; V8-R11 WeakPolarHBondContact O-CA 3.27Å; V8-R11 WeakPolarHBondContact O-CB 3.32Å; V8-R11 PolarHBondContact O-N 2.84Å; V8-Q12 PolarHBondContact O-N 3.12Å; V8-V73 HydrophobicContact CB-CG1 3.98Å; V8-V73 HydrophobicContact CB-CG2 4.06Å; V8-V73 HydrophobicContact CG1-CG1 4.32Å; V8-V73 HydrophobicContact CG1-CG2 3.88Å; V8-V73 HydrophobicContact CG2-CG1 3.73Å; V8-E82 HydrophobicContact CG1-CB 4.18Å; V8-E82 VanDerWaalsContact CG1-CD 3.47Å; V8-E82 HydrophobicContact CG1-CG 4.22Å; V8-E82 WeakPolarHBondContact CG1-OE2 3.35Å; V8-W103 HydrophobicContact CG1-CD2 4.25Å; V8-W103 HydrophobicContact CG1-CZ2 3.86Å; V8-W103 HydrophobicContact CG2-CD2 4.48Å; V8-W103 HydrophobicContact CG2-CG 4.41Å
9K98.1Very high97.1Very high82 Ų8258.3 Ų58.336%0.35730%0.302SS..Hα-helixtrans-59.7-35.7176.1-177.2170.6178.4176.20112.5F5 R11 Q12 Q13F5-K9 HydrophobicContact CE1-CB 4.32Å; F5-K9 HydrophobicContact CE1-CD 3.72Å; F5-K9 HydrophobicContact CZ-CD 4.45Å; F5-K9 WeakPolarHBondContact O-CB 3.48Å; F5-K9 PolarHBondContact O-N 2.74Å; K9-R11 VanDerWaalsContact C-N 3.35Å; K9-Q12 WeakPolarHBondContact O-CB 3.5Å; K9-Q12 PolarHBondContact O-N 3.33Å; K9-Q13 WeakPolarHBondContact O-CG 3.41Å; K9-Q13 PolarHBondContact O-N 2.78Å
10G98.4Very high97.2Very high21 Ų2159 Ų5922%0.21631%0.306CS..Hα-helixtrans-61.9-41.3172.900000112.3Q6 E7 V8 Q12 Q13 D14Q6-G10 PolarHBondContact O-N 3.01Å; E7-G10 PolarHBondContact O-N 2.8Å; V8-G10 PolarHBondContact O-N 2.87Å; G10-Q12 VanDerWaalsContact C-N 3.34Å; G10-Q12 PolarHBondContact O-N 2.78Å; G10-Q13 WeakPolarHBondContact O-CB 3.31Å; G10-Q13 PolarHBondContact O-N 2.92Å; G10-Q13 VanDerWaalsContact O-N 3.12Å; G10-D14 PolarHBondContact O-N 2.8Å
11R98.7Very high97.3Very high49 Ų4960 Ų6019%0.18532%0.323CS..Hα-helixtrans-65.8-35.9174.9-58.8-56.8-69149.9-2.3112.7E7 V8 K9 Q13 D14 F15 W103 W110E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 2.83Å; E7-R11 VanDerWaalsContact O-N 3.17Å; V8-R11 WeakPolarHBondContact O-CA 3.27Å; V8-R11 WeakPolarHBondContact O-CB 3.32Å; V8-R11 PolarHBondContact O-N 2.84Å; K9-R11 VanDerWaalsContact C-N 3.35Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 2.72Å; R11-D14 IonicContact CZ-OD2 2.63Å; R11-D14 IonicContact NH1-OD2 3.35Å; R11-D14 PolarHBondContact NH1-OD2 3.01Å; R11-D14 WeakPolarHBondContact O-CB 3.41Å; R11-D14 PolarHBondContact O-N 3.13Å; R11-F15 PolarHBondContact O-N 2.85Å; R11-W103 HydrophobicContact CB-CH2 3.61Å; R11-W103 HydrophobicContact CB-CZ3 3.55Å; R11-W103 HydrophobicContact CG-CZ3 4.07Å; R11-W110 HydrophobicContact CG-CB 4.04Å; R11-W110 PolarHBondContact NE-O 3.29Å
12Q98.8Very high98.1Very high2 Ų254.4 Ų54.41%0.00931%0.309CS..Hα-helixtrans-63.7-35.2171.6-67.2-69.81300112.5V8 K9 G10 F15 M16 I68 E82 W103V8-Q12 PolarHBondContact O-N 3.12Å; K9-Q12 WeakPolarHBondContact O-CB 3.5Å; K9-Q12 PolarHBondContact O-N 3.33Å; G10-Q12 VanDerWaalsContact C-N 3.34Å; G10-Q12 PolarHBondContact O-N 2.78Å; Q12-F15 PolarHBondContact O-N 2.83Å; Q12-M16 WeakPolarHBondContact O-CE 3.42Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 2.85Å; Q12-I68 HydrophobicContact CB-CG2 4.44Å; Q12-I68 HydrophobicContact CG-CG2 4.14Å; Q12-E82 WeakPolarHBondContact CG-OE1 3.49Å; Q12-E82 VanDerWaalsContact NE2-CD 3.3Å; Q12-E82 PolarHBondContact NE2-OE1 2.98Å; Q12-E82 PolarHBondContact NE2-OE2 2.99Å; Q12-W103 HydrophobicContact CG-CZ2 4.24Å
13Q98.8Very high98.4Very high109 Ų10955.2 Ų55.251%0.50931%0.308SS..Hα-helixtrans-65.6-39.6173.6-68.7170.7-33.200111.9K9 G10 R11 M16 K17K9-Q13 WeakPolarHBondContact O-CG 3.41Å; K9-Q13 PolarHBondContact O-N 2.78Å; G10-Q13 WeakPolarHBondContact O-CB 3.31Å; G10-Q13 PolarHBondContact O-N 2.92Å; G10-Q13 VanDerWaalsContact O-N 3.12Å; R11-Q13 VanDerWaalsContact C-N 3.29Å; R11-Q13 PolarHBondContact O-N 2.72Å; Q13-M16 HydrophobicContact CG-CE 4.24Å; Q13-M16 PolarHBondContact O-N 2.86Å; Q13-K17 VanDerWaalsContact O-CB 3.27Å; Q13-K17 WeakPolarHBondContact O-CB 3.46Å; Q13-K17 PolarHBondContact O-N 3.16Å
14D98.8Very high98.5Very high75 Ų7551.9 Ų51.940%0.40128%0.281SS..Hα-helixtrans-61.9-45173.9-64.9-32.7000111.3G10 R11 K17 A18 V30G10-D14 PolarHBondContact O-N 2.8Å; R11-D14 IonicContact CZ-OD2 2.63Å; R11-D14 IonicContact NH1-OD2 3.35Å; R11-D14 PolarHBondContact NH1-OD2 3.01Å; R11-D14 WeakPolarHBondContact O-CB 3.41Å; R11-D14 PolarHBondContact O-N 3.13Å; D14-K17 PolarHBondContact O-N 3.16Å; D14-A18 PolarHBondContact O-N 2.87Å; D14-A18 VanDerWaalsContact O-N 3.1Å; D14-V30 HydrophobicContact CB-CG1 4.2Å
15F98.9Very high98.6Very high16 Ų1652.6 Ų52.67%0.0729%0.292CS..Hα-helixtrans-57.2-56.1174.4170-101.9000111.6R11 Q12 K17 A18 F19 A27 V30 F55 A66 I68R11-F15 PolarHBondContact O-N 2.85Å; Q12-F15 PolarHBondContact O-N 2.83Å; F15-K17 VanDerWaalsContact C-N 3.29Å; F15-K17 PolarHBondContact O-N 3.33Å; F15-A18 PolarHBondContact O-N 3.05Å; F15-F19 HydrophobicContact CE2-CB 4.46Å; F15-F19 HydrophobicContact CE2-CD2 4.11Å; F15-F19 HydrophobicContact CZ-CB 4.29Å; F15-F19 AromaticContact CZ-CD2 3.84Å; F15-F19 HydrophobicContact CZ-CD2 3.84Å; F15-F19 HydrophobicContact CZ-CG 4.23Å; F15-F19 WeakPolarHBondContact O-CB 3.13Å; F15-F19 PolarHBondContact O-N 3.31Å; F15-A27 HydrophobicContact CD2-CB 4.08Å; F15-A27 HydrophobicContact CE2-CB 4.01Å; F15-V30 HydrophobicContact CB-CG1 4.18Å; F15-V30 HydrophobicContact CB-CG2 3.86Å; F15-V30 HydrophobicContact CD2-CG2 3.88Å; F15-V30 HydrophobicContact CG-CG2 4.27Å; F15-F55 HydrophobicContact CE2-CE1 4.32Å; F15-F55 AromaticContact CE2-CE2 3.91Å; F15-F55 HydrophobicContact CE2-CE2 3.91Å; F15-F55 AromaticContact CE2-CZ 3.7Å; F15-F55 HydrophobicContact CE2-CZ 3.7Å; F15-F55 HydrophobicContact CZ-CZ 4.3Å; F15-A66 HydrophobicContact CE1-CB 4.15Å; F15-I68 HydrophobicContact CD1-CG1 3.98Å; F15-I68 HydrophobicContact CE1-CD1 4.21Å; F15-I68 HydrophobicContact CE1-CG1 4Å
16M98.8Very high98.6Very high37 Ų3752.7 Ų52.718%0.18230%0.297CS..Hα-helixtrans-59.6-39.7-178.8-73.7-175.2-73.800111.8Q12 Q13 N20 I68Q12-M16 WeakPolarHBondContact O-CE 3.42Å; Q12-M16 WeakPolarHBondContact O-CG 3.47Å; Q12-M16 PolarHBondContact O-N 2.85Å; Q13-M16 HydrophobicContact CG-CE 4.24Å; Q13-M16 PolarHBondContact O-N 2.86Å; M16-N20 WeakPolarHBondContact O-CB 3.28Å; M16-N20 PolarHBondContact O-N 3.02Å; M16-N20 PolarHBondContact O-ND2 3.28Å; M16-N20 PolarHBondContact O-OD1 3.39Å; M16-I68 HydrophobicContact CG-CB 4.33Å; M16-I68 HydrophobicContact CG-CG1 4.01Å; M16-I68 HydrophobicContact SD-CB 4.07Å; M16-I68 HydrophobicContact SD-CG1 4.35Å; M16-I68 PolarHBondContact SD-N 3.19Å
17K98.8Very high98.6Very high163 Ų16347.9 Ų47.971%0.70927%0.274SS*.Hα-helixtrans-61.2-46.9178-179.6-177.2175.2-173.70111.5Q13 D14 F15 A21Q13-K17 VanDerWaalsContact O-CB 3.27Å; Q13-K17 WeakPolarHBondContact O-CB 3.46Å; Q13-K17 PolarHBondContact O-N 3.16Å; D14-K17 PolarHBondContact O-N 3.16Å; F15-K17 VanDerWaalsContact C-N 3.29Å; F15-K17 PolarHBondContact O-N 3.33Å; K17-A21 WeakPolarHBondContact O-CB 3.31Å; K17-A21 PolarHBondContact O-N 3.48Å
18A98.9Very high98.7Very high12 Ų1243.9 Ų43.910%0.09926%0.256CS..Hα-helixtrans-69.7-47.4179.800000111.6D14 F15 N20 A21 G22 D23 A27D14-A18 PolarHBondContact O-N 2.87Å; D14-A18 VanDerWaalsContact O-N 3.1Å; F15-A18 PolarHBondContact O-N 3.05Å; A18-N20 PolarHBondContact O-N 3.14Å; A18-A21 PolarHBondContact O-N 3.28Å; A18-A21 VanDerWaalsContact O-N 3.08Å; A18-G22 PolarHBondContact O-N 3.17Å; A18-D23 HydrophobicContact CB-CB 4.36Å; A18-D23 WeakPolarHBondContact O-CB 3.35Å; A18-D23 PolarHBondContact O-N 3.05Å; A18-A27 HydrophobicContact CB-CB 4.27Å; A18-A27 VanDerWaalsContact CB-N 3.3Å
19F98.8Very high98.7Very high5 Ų546.6 Ų46.62%0.02227%0.274CS..Hα-helixtrans-58.5-48179.6-167.5-79.9000111.4F15 A21 G22 A27 F55 M59 V63 A66F15-F19 HydrophobicContact CE2-CB 4.46Å; F15-F19 HydrophobicContact CE2-CD2 4.11Å; F15-F19 HydrophobicContact CZ-CB 4.29Å; F15-F19 AromaticContact CZ-CD2 3.84Å; F15-F19 HydrophobicContact CZ-CD2 3.84Å; F15-F19 HydrophobicContact CZ-CG 4.23Å; F15-F19 WeakPolarHBondContact O-CB 3.13Å; F15-F19 PolarHBondContact O-N 3.31Å; F19-A21 PolarHBondContact O-N 3.33Å; F19-G22 PolarHBondContact O-N 3.18Å; F19-A27 HydrophobicContact CB-CB 4.12Å; F19-A27 HydrophobicContact CD2-CB 4.21Å; F19-F55 HydrophobicContact CD2-CD1 4.37Å; F19-F55 HydrophobicContact CD2-CG 4.45Å; F19-F55 HydrophobicContact CE2-CB 4.41Å; F19-F55 AromaticContact CE2-CD1 3.9Å; F19-F55 HydrophobicContact CE2-CD1 3.9Å; F19-F55 HydrophobicContact CE2-CG 4.24Å; F19-M59 HydrophobicContact CD1-CE 4.45Å; F19-M59 HydrophobicContact CD2-CE 3.81Å; F19-M59 HydrophobicContact CE2-CE 4Å; F19-M59 HydrophobicContact CG-CE 4.05Å; F19-M59 HydrophobicContact CZ-CE 4.4Å; F19-V63 HydrophobicContact CE1-CG1 3.84Å; F19-V63 HydrophobicContact CZ-CB 4.47Å; F19-V63 HydrophobicContact CZ-CG1 3.86Å; F19-A66 HydrophobicContact CD1-CB 3.65Å; F19-A66 HydrophobicContact CE1-CB 3.98Å; F19-A66 HydrophobicContact CG-CB 4.12Å
20N98.7Very high98.7Very high72 Ų7242.7 Ų42.739%0.38526%0.258SS..THydrogen-bonded Turntrans-71.7-11.2-179.2-60.4-8.3000113.2M16 A18 T65 A66M16-N20 WeakPolarHBondContact O-CB 3.28Å; M16-N20 PolarHBondContact O-N 3.02Å; M16-N20 PolarHBondContact O-ND2 3.28Å; M16-N20 PolarHBondContact O-OD1 3.39Å; A18-N20 PolarHBondContact O-N 3.14Å; N20-T65 VanDerWaalsContact OD1-CA 3.26Å; N20-T65 WeakPolarHBondContact OD1-CA 3.37Å; N20-A66 PolarHBondContact ND2-O 3.06Å; N20-A66 PolarHBondContact OD1-N 3.24Å; N20-A66 PolarHBondContact OD1-O 2.91Å
21A98.6Very high98.7Very high80 Ų8041.9 Ų41.966%0.66125%0.248SC*.THydrogen-bonded Turntrans-91.51170.700000112.9K17 A18 F19 D23K17-A21 WeakPolarHBondContact O-CB 3.31Å; K17-A21 PolarHBondContact O-N 3.48Å; A18-A21 PolarHBondContact O-N 3.28Å; A18-A21 VanDerWaalsContact O-N 3.08Å; F19-A21 PolarHBondContact O-N 3.33Å; A21-D23 PolarHBondContact O-N 2.77Å
22G98.4Very high98.7Very high53 Ų5339.8 Ų39.855%0.54624%0.24SC..THydrogen-bonded Turntrans72.116.9-173.100000113.6A18 F19 A24A18-G22 PolarHBondContact O-N 3.17Å; F19-G22 PolarHBondContact O-N 3.18Å; G22-A24 PolarHBondContact O-N 3.19Å
23D98.8Very high98.6Very high77 Ų7742.9 Ų42.941%0.41226%0.26SS..  trans-93.384.4-179.8-179.210.9000110.6A18 A21 A25 G26 A27A18-D23 HydrophobicContact CB-CB 4.36Å; A18-D23 WeakPolarHBondContact O-CB 3.35Å; A18-D23 PolarHBondContact O-N 3.05Å; A21-D23 PolarHBondContact O-N 2.77Å; D23-A25 PolarHBondContact O-N 2.77Å; D23-A25 PolarHBondContact OD1-N 3.16Å; D23-G26 VanDerWaalsContact CG-N 3.27Å; D23-G26 PolarHBondContact O-N 2.83Å; D23-G26 PolarHBondContact OD1-N 3.08Å; D23-G26 WeakPolarHBondContact OD2-CA 3.11Å; D23-G26 PolarHBondContact OD2-N 3.42Å; D23-A27 WeakPolarHBondContact O-CB 3.31Å; D23-A27 PolarHBondContact O-N 3Å
24A98.7Very high98.6Very high6 Ų643.6 Ų43.65%0.0527%0.268CS..Hα-helixtrans-60-34178.100000112.9G22 A28 E52 F55 K56 M59G22-A24 PolarHBondContact O-N 3.19Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 2.81Å; A24-E52 HydrophobicContact CB-CG 4.35Å; A24-F55 HydrophobicContact CB-CB 4.07Å; A24-K56 HydrophobicContact CB-CG 3.59Å; A24-M59 HydrophobicContact CB-CE 4.21Å; A24-M59 HydrophobicContact CB-SD 3.98Å
25A98.7Very high98.5Very high47 Ų4740 Ų4039%0.38825%0.249SC..Hα-helixtrans-72.1-43.8179.300000111.1D23 A27 A28 S29D23-A25 PolarHBondContact O-N 2.77Å; D23-A25 PolarHBondContact OD1-N 3.16Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A28 PolarHBondContact O-N 2.91Å; A25-S29 PolarHBondContact O-N 3.42Å
26G98.7Very high98.5Very high16 Ų1643.1 Ų43.117%0.16526%0.261CS..Hα-helixtrans-60.4-42171.600000112.1D23 S29D23-G26 VanDerWaalsContact CG-N 3.27Å; D23-G26 PolarHBondContact O-N 2.83Å; D23-G26 PolarHBondContact OD1-N 3.08Å; D23-G26 WeakPolarHBondContact OD2-CA 3.11Å; D23-G26 PolarHBondContact OD2-N 3.42Å; G26-S29 WeakPolarHBondContact O-CB 3.29Å; G26-S29 PolarHBondContact O-N 2.86Å; G26-S29 PolarHBondContact O-OG 3.02Å
27A98.8Very high98.5Very high0 Ų041.6 Ų41.60%025%0.253CS..Hα-helixtrans-65.2-42.5176.100000111.7F15 A18 F19 D23 A25 S29 V30 F55F15-A27 HydrophobicContact CD2-CB 4.08Å; F15-A27 HydrophobicContact CE2-CB 4.01Å; A18-A27 HydrophobicContact CB-CB 4.27Å; A18-A27 VanDerWaalsContact CB-N 3.3Å; F19-A27 HydrophobicContact CB-CB 4.12Å; F19-A27 HydrophobicContact CD2-CB 4.21Å; D23-A27 WeakPolarHBondContact O-CB 3.31Å; D23-A27 PolarHBondContact O-N 3Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 2.89Å; A27-V30 WeakPolarHBondContact O-CG2 3.45Å; A27-F55 HydrophobicContact CB-CD2 3.88Å; A27-F55 HydrophobicContact CB-CE2 4.14Å
28A98.8Very high98.5Very high0 Ų036.8 Ų36.80%023%0.234CC..Hα-helixtrans-68.7-21.4175.100000113A24 A25 V30 Y31 R48 E52 F55A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 2.81Å; A25-A28 PolarHBondContact O-N 2.91Å; A28-V30 PolarHBondContact O-N 2.93Å; A28-Y31 WeakPolarHBondContact O-CB 3.49Å; A28-Y31 PolarHBondContact O-N 3.31Å; A28-R48 HydrophobicContact CB-CG 4.05Å; A28-R48 WeakPolarHBondContact O-CG 3.49Å; A28-E52 HydrophobicContact CB-CB 3.69Å; A28-E52 HydrophobicContact CB-CG 4.34Å; A28-F55 HydrophobicContact CB-CD2 4.33Å; A28-F55 HydrophobicContact CB-CE2 4.47Å
29S98.5Very high98.4Very high56 Ų5636.4 Ų36.439%0.39223%0.23SC..THydrogen-bonded Turntrans-65.3-19.9-178.681.10000114.3A25 G26 A27 Y31A25-S29 PolarHBondContact O-N 3.42Å; G26-S29 WeakPolarHBondContact O-CB 3.29Å; G26-S29 PolarHBondContact O-N 2.86Å; G26-S29 PolarHBondContact O-OG 3.02Å; A27-S29 PolarHBondContact O-N 2.89Å; S29-Y31 PolarHBondContact O-N 3.28Å
30V98.7Very high98.3Very high1 Ų139.6 Ų39.61%0.00625%0.248CC..THydrogen-bonded Turntrans-75.7-9.3173.3-59.30000113.1D14 F15 A27 A28 L111 I112D14-V30 HydrophobicContact CB-CG1 4.2Å; F15-V30 HydrophobicContact CB-CG1 4.18Å; F15-V30 HydrophobicContact CB-CG2 3.86Å; F15-V30 HydrophobicContact CD2-CG2 3.88Å; F15-V30 HydrophobicContact CG-CG2 4.27Å; A27-V30 WeakPolarHBondContact O-CG2 3.45Å; A28-V30 PolarHBondContact O-N 2.93Å; V30-L111 CarbonylContact O-C 3.57Å; V30-L111 VanDerWaalsContact O-CA 3.23Å; V30-L111 WeakPolarHBondContact O-CA 3.36Å; V30-I112 HydrophobicContact CG2-CD1 3.89Å; V30-I112 PolarHBondContact O-N 2.96Å
31Y98.7Very high98.1Very high4 Ų440 Ų402%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-89.6148.3176.7-70.7-101.2000112A28 S29 F37 R48 I51 F55 I112 D115A28-Y31 WeakPolarHBondContact O-CB 3.49Å; A28-Y31 PolarHBondContact O-N 3.31Å; S29-Y31 PolarHBondContact O-N 3.28Å; Y31-F37 HydrophobicContact CE1-CD2 4.41Å; Y31-R48 PolarHBondContact O-NE 3.23Å; Y31-R48 VanDerWaalsContact O-NE 3.08Å; Y31-R48 PolarHBondContact O-NH2 2.57Å; Y31-I51 HydrophobicContact CD1-CD1 3.56Å; Y31-I51 HydrophobicContact CD1-CG2 4.3Å; Y31-I51 HydrophobicContact CD2-CG2 3.91Å; Y31-I51 HydrophobicContact CE1-CD1 4.14Å; Y31-I51 HydrophobicContact CE1-CG2 4.27Å; Y31-I51 HydrophobicContact CE2-CG2 3.94Å; Y31-I51 HydrophobicContact CG-CD1 3.9Å; Y31-I51 HydrophobicContact CG-CG2 4.09Å; Y31-F55 HydrophobicContact CD2-CE2 4.35Å; Y31-F55 AromaticContact CE2-CE2 3.75Å; Y31-F55 HydrophobicContact CE2-CE2 3.75Å; Y31-F55 AromaticContact CE2-CZ 3.65Å; Y31-F55 HydrophobicContact CE2-CZ 3.65Å; Y31-F55 AromaticContact CZ-CZ 3.94Å; Y31-I112 WeakPolarHBondContact CA-O 3.38Å; Y31-I112 HydrophobicContact CD1-CB 3.65Å; Y31-I112 HydrophobicContact CD1-CD1 4.47Å; Y31-I112 HydrophobicContact CD1-CG2 3.67Å; Y31-I112 HydrophobicContact CD2-CD1 4.37Å; Y31-I112 HydrophobicContact CE1-CB 3.89Å; Y31-I112 HydrophobicContact CE1-CD1 4.12Å; Y31-I112 HydrophobicContact CE1-CG2 3.53Å; Y31-I112 HydrophobicContact CE2-CD1 3.96Å; Y31-I112 HydrophobicContact CG-CB 4.12Å; Y31-D115 HydrophobicContact CE1-CB 4.01Å; Y31-D115 PolarHBondContact OH-OD2 2.74Å
32D98.2Very high97.9Very high4 Ų441.7 Ų41.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-58.5143.2170.2-170.8-64.1000109.3D34 G35 L111 I112 H113D32-D34 PolarHBondContact O-N 2.77Å; D32-D34 VanDerWaalsContact O-N 3.16Å; D32-D34 PolarHBondContact OD1-N 3.34Å; D32-G35 WeakPolarHBondContact O-CA 3.24Å; D32-G35 PolarHBondContact O-N 3Å; D32-L111 HydrophobicContact CB-CB 4.13Å; D32-I112 WeakPolarHBondContact CB-O 3.48Å; D32-I112 PolarHBondContact N-O 3.22Å; D32-H113 HydrophobicContact CB-CB 4.32Å; D32-H113 IonicContact OD1-ND1 3.93Å; D32-H113 IonicContact OD2-ND1 3.55Å
33P97.2Very high97.8Very high67 Ų6746.1 Ų46.144%0.43527%0.269SS..EExtended strand (participates in β ladder)trans-49.5-36172.6-28.536.5000113.6G47 R48P33-G47 VanDerWaalsContact O-CA 3.24Å; P33-G47 WeakPolarHBondContact O-CA 3.42Å; P33-R48 PolarHBondContact O-N 3Å
34D97.2Very high97.8Very high124 Ų12445.2 Ų45.266%0.66327%0.268SS*.EExtended strand (participates in β ladder)trans-9721.6176.5-62.8-39.2000112.8D32D32-D34 PolarHBondContact O-N 2.77Å; D32-D34 VanDerWaalsContact O-N 3.16Å; D32-D34 PolarHBondContact OD1-N 3.34Å
35G98.5Very high97.8Very high1 Ų146.3 Ų46.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-55.6142.8-177.800000113.3D32 G47 H113D32-G35 WeakPolarHBondContact O-CA 3.24Å; D32-G35 PolarHBondContact O-N 3Å; G35-G47 PolarHBondContact O-N 2.89Å; G35-H113 CarbonylContact C-O 3.59Å; G35-H113 WeakPolarHBondContact CA-O 3.14Å
36Y98.7Very high97.7Very high80 Ų8051.6 Ų51.631%0.31429%0.288SS..EExtended strand (participates in β ladder)trans-119.9103.5179.3-164.1-93.4000110M38 P44 K46 H113 N114 D115Y36-M38 HydrophobicContact CD1-CE 4.06Å; Y36-M38 HydrophobicContact CD1-CG 3.6Å; Y36-M38 HydrophobicContact CD1-SD 3.85Å; Y36-M38 HydrophobicContact CE1-CE 4.49Å; Y36-M38 HydrophobicContact CE1-CG 3.45Å; Y36-M38 VanDerWaalsContact CE1-CG 3.45Å; Y36-M38 HydrophobicContact CE1-SD 3.68Å; Y36-P44 HydrophobicContact CD1-CB 4.43Å; Y36-P44 HydrophobicContact CE1-CB 3.6Å; Y36-P44 HydrophobicContact CE1-CG 3.99Å; Y36-P44 HydrophobicContact CE2-CB 4.06Å; Y36-P44 VanDerWaalsContact OH-CB 3.3Å; Y36-P44 WeakPolarHBondContact OH-CB 3.39Å; Y36-P44 WeakPolarHBondContact OH-CG 3.47Å; Y36-K46 HydrophobicContact CD2-CG 3.89Å; Y36-K46 HydrophobicContact CE2-CD 4.33Å; Y36-K46 HydrophobicContact CE2-CG 3.85Å; Y36-H113 PolarHBondContact N-O 3.28Å; Y36-N114 WeakPolarHBondContact CB-OD1 3.26Å; Y36-N114 WeakPolarHBondContact O-CA 3.42Å; Y36-D115 PolarHBondContact O-N 3.41Å
37F98.7Very high97.6Very high5 Ų551.7 Ų51.72%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-102.3127.4-176.5-178.9-125.4000110.3Y31 P39 P44 V45 I51 Y54 F55 D115 F117Y31-F37 HydrophobicContact CE1-CD2 4.41Å; F37-P39 HydrophobicContact CD1-CB 4.34Å; F37-P39 HydrophobicContact CD1-CG 4.01Å; F37-P39 HydrophobicContact CE1-CB 3.78Å; F37-P39 HydrophobicContact CE1-CG 3.91Å; F37-P39 HydrophobicContact CZ-CB 4.16Å; F37-P39 WeakPolarHBondContact O-CD 3.23Å; F37-P44 CarbonylContact O-C 3.59Å; F37-P44 VanDerWaalsContact O-CA 3.28Å; F37-P44 WeakPolarHBondContact O-CA 3.16Å; F37-V45 HydrophobicContact CB-CB 4.33Å; F37-V45 HydrophobicContact CD1-CB 4.34Å; F37-V45 PolarHBondContact N-O 3.08Å; F37-V45 PolarHBondContact O-N 3.39Å; F37-I51 HydrophobicContact CB-CD1 3.92Å; F37-I51 HydrophobicContact CB-CG1 3.71Å; F37-I51 HydrophobicContact CG-CG1 4.44Å; F37-Y54 HydrophobicContact CD1-CD1 4.23Å; F37-Y54 HydrophobicContact CD1-CG 4.21Å; F37-Y54 AromaticContact CE1-CD1 3.37Å; F37-Y54 HydrophobicContact CE1-CD1 3.37Å; F37-Y54 HydrophobicContact CE1-CD2 4.01Å; F37-Y54 AromaticContact CE1-CE1 3.42Å; F37-Y54 HydrophobicContact CE1-CE1 3.42Å; F37-Y54 VanDerWaalsContact CE1-CE1 3.42Å; F37-Y54 HydrophobicContact CE1-CE2 4.03Å; F37-Y54 AromaticContact CE1-CG 3.7Å; F37-Y54 HydrophobicContact CE1-CG 3.7Å; F37-Y54 AromaticContact CE1-CZ 3.78Å; F37-Y54 HydrophobicContact CZ-CD1 4.11Å; F37-Y54 AromaticContact CZ-CE1 3.82Å; F37-Y54 HydrophobicContact CZ-CE1 3.82Å; F37-F55 HydrophobicContact CZ-CE1 4.45Å; F37-D115 CarbonylContact C-O 3.54Å; F37-D115 HydrophobicContact CD2-CB 3.77Å; F37-D115 HydrophobicContact CE2-CB 4.35Å; F37-F117 HydrophobicContact CE1-CE1 4.42Å; F37-F117 AromaticContact CE2-CD1 3.96Å; F37-F117 HydrophobicContact CE2-CD1 3.96Å; F37-F117 AromaticContact CE2-CE1 3.84Å; F37-F117 HydrophobicContact CE2-CE1 3.84Å; F37-F117 HydrophobicContact CZ-CD1 4.12Å; F37-F117 AromaticContact CZ-CE1 3.51Å; F37-F117 HydrophobicContact CZ-CE1 3.51Å
38M98.6Very high97.6Very high62 Ų6255.7 Ų55.731%0.30530%0.304SS..EExtended strand (participates in β ladder)trans-11874.7-174.3-64.5170.5-81.400109.3Y36 P44 N114 D115 C116Y36-M38 HydrophobicContact CD1-CE 4.06Å; Y36-M38 HydrophobicContact CD1-CG 3.6Å; Y36-M38 HydrophobicContact CD1-SD 3.85Å; Y36-M38 HydrophobicContact CE1-CE 4.49Å; Y36-M38 HydrophobicContact CE1-CG 3.45Å; Y36-M38 VanDerWaalsContact CE1-CG 3.45Å; Y36-M38 HydrophobicContact CE1-SD 3.68Å; M38-P44 HydrophobicContact CG-CB 4.2Å; M38-P44 HydrophobicContact CG-CG 4.21Å; M38-N114 HydrophobicContact CE-CB 4.29Å; M38-D115 WeakPolarHBondContact CB-O 3.47Å; M38-D115 PolarHBondContact N-O 3.13Å; M38-C116 HydrophobicContact CB-CB 3.86Å; M38-C116 HydrophobicContact CE-CB 3.9Å; M38-C116 HydrophobicContact SD-CB 4.46Å
39P97.2Very high97.6Very high4 Ų460.3 Ų60.33%0.02634%0.336CS..  trans-64.7146.6-17921.7-28.7000112.4F37 G41 R42 V45 Y54 F117F37-P39 HydrophobicContact CD1-CB 4.34Å; F37-P39 HydrophobicContact CD1-CG 4.01Å; F37-P39 HydrophobicContact CE1-CB 3.78Å; F37-P39 HydrophobicContact CE1-CG 3.91Å; F37-P39 HydrophobicContact CZ-CB 4.16Å; F37-P39 WeakPolarHBondContact O-CD 3.23Å; P39-G41 PolarHBondContact O-N 3.17Å; P39-R42 HydrophobicContact CG-CB 4.07Å; P39-R42 PolarHBondContact O-N 3.25Å; P39-V45 HydrophobicContact CG-CG2 4.36Å; P39-Y54 HydrophobicContact CB-CD2 4.37Å; P39-Y54 HydrophobicContact CB-CE2 3.55Å; P39-Y54 HydrophobicContact CG-CD2 4.11Å; P39-Y54 HydrophobicContact CG-CE2 3.73Å; P39-F117 VanDerWaalsContact CA-CE1 3.42Å; P39-F117 HydrophobicContact CB-CE1 3.76Å; P39-F117 HydrophobicContact CB-CZ 3.93Å
40N95.7Very high97.6Very high72 Ų7258.8 Ų58.839%0.38533%0.329SS..THydrogen-bonded Turntrans-56.9124.5-179.8-178.384.4000111.5R42 F117 V119N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 2.95Å; N40-F117 HydrophobicContact CB-CD2 3.86Å; N40-F117 HydrophobicContact CB-CE2 3.51Å; N40-F117 HydrophobicContact CB-CZ 4.14Å; N40-V119 HydrophobicContact CB-CG2 3.8Å; N40-V119 WeakPolarHBondContact ND2-CG2 3.21Å; N40-V119 PolarHBondContact OD1-N 3.01Å
41G94.6Very high97.6Very high80 Ų8058.8 Ų58.883%0.82533%0.329SS*.THydrogen-bonded Turntrans7211.417400000115.6P39P39-G41 PolarHBondContact O-N 3.17Å
42R93.8Very high97.6Very high116 Ų11660.9 Ų60.944%0.43834%0.339SS..SBendtrans-127.4165.7176.8-61-169.8-166.6-147.47111.5P39 N40 E57P39-R42 HydrophobicContact CG-CB 4.07Å; P39-R42 PolarHBondContact O-N 3.25Å; N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 2.95Å; R42-E57 IonicContact NH1-OE2 2.7Å; R42-E57 PolarHBondContact NH1-OE2 3.19Å
43N97.2Very high97.6Very high147 Ų14762.7 Ų62.779%0.78636%0.355SS*.  trans-66.1147.5171.5-74.4-31.8000110.5
44P98.2Very high97.6Very high58 Ų5860.5 Ų60.538%0.37734%0.338SS..  trans-59.1143.5176.7-25.935.7000113.3Y36 F37 M38Y36-P44 HydrophobicContact CD1-CB 4.43Å; Y36-P44 HydrophobicContact CE1-CB 3.6Å; Y36-P44 HydrophobicContact CE1-CG 3.99Å; Y36-P44 HydrophobicContact CE2-CB 4.06Å; Y36-P44 VanDerWaalsContact OH-CB 3.3Å; Y36-P44 WeakPolarHBondContact OH-CB 3.39Å; Y36-P44 WeakPolarHBondContact OH-CG 3.47Å; F37-P44 CarbonylContact O-C 3.59Å; F37-P44 VanDerWaalsContact O-CA 3.28Å; F37-P44 WeakPolarHBondContact O-CA 3.16Å; M38-P44 HydrophobicContact CG-CB 4.2Å; M38-P44 HydrophobicContact CG-CG 4.21Å
45V98.2Very high97.7Very high29 Ų2954.9 Ų54.918%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-104.3129.1177178.60000108.3F37 P39 G50 I51 Y54F37-V45 HydrophobicContact CB-CB 4.33Å; F37-V45 HydrophobicContact CD1-CB 4.34Å; F37-V45 PolarHBondContact N-O 3.08Å; F37-V45 PolarHBondContact O-N 3.39Å; P39-V45 HydrophobicContact CG-CG2 4.36Å; V45-G50 VanDerWaalsContact CG1-O 3.26Å; V45-G50 WeakPolarHBondContact CG1-O 3.5Å; V45-I51 HydrophobicContact CG1-CG1 4.03Å; V45-Y54 HydrophobicContact CG2-CD2 4.44Å
46K96.6Very high97.7Very high158 Ų15860.1 Ų60.169%0.68733%0.33SS*.EExtended strand (participates in β ladder)trans-108.7138-176.4-62.6-177.9180177.10111.2Y36Y36-K46 HydrophobicContact CD2-CG 3.89Å; Y36-K46 HydrophobicContact CE2-CD 4.33Å; Y36-K46 HydrophobicContact CE2-CG 3.85Å
47G98.3Very high97.7Very high17 Ų1760.9 Ų60.918%0.17534%0.337CS..Hα-helixtrans71.3158.1174.300000113.6P33 G35 S49 G50 I51P33-G47 VanDerWaalsContact O-CA 3.24Å; P33-G47 WeakPolarHBondContact O-CA 3.42Å; G35-G47 PolarHBondContact O-N 2.89Å; G47-S49 VanDerWaalsContact C-N 3.28Å; G47-S49 PolarHBondContact O-N 2.98Å; G47-G50 PolarHBondContact O-N 2.88Å; G47-G50 VanDerWaalsContact O-N 3.1Å; G47-I51 WeakPolarHBondContact O-CG1 3.42Å; G47-I51 PolarHBondContact O-N 2.98Å; G47-I51 VanDerWaalsContact O-N 3.16Å
48R98.3Very high97.6Very high85 Ų8561.2 Ų61.232%0.32134%0.339SS..Hα-helixtrans-55-40.8-175.6-172.5-178.8-64.5154.7-2.5113.4A28 Y31 P33 G50 I51 E52A28-R48 HydrophobicContact CB-CG 4.05Å; A28-R48 WeakPolarHBondContact O-CG 3.49Å; Y31-R48 PolarHBondContact O-NE 3.23Å; Y31-R48 VanDerWaalsContact O-NE 3.08Å; Y31-R48 PolarHBondContact O-NH2 2.57Å; P33-R48 PolarHBondContact O-N 3Å; R48-G50 PolarHBondContact O-N 2.97Å; R48-I51 PolarHBondContact O-N 2.84Å; R48-E52 PolarHBondContact O-N 3.39Å
49S97.9Very high97.6Very high96 Ų9660.1 Ų60.167%0.67133%0.333SS*.Hα-helixtrans-65.9-35.9-179.5-57.50000113.1G47 A53G47-S49 VanDerWaalsContact C-N 3.28Å; G47-S49 PolarHBondContact O-N 2.98Å; S49-A53 PolarHBondContact O-N 3.03Å; S49-A53 VanDerWaalsContact O-N 3.13Å
50G98.1Very high97.6Very high25 Ų2564.1 Ų64.126%0.25837%0.367SS..Hα-helixtrans-66.7-41.6173.800000111.2V45 G47 R48 A53 Y54V45-G50 VanDerWaalsContact CG1-O 3.26Å; V45-G50 WeakPolarHBondContact CG1-O 3.5Å; G47-G50 PolarHBondContact O-N 2.88Å; G47-G50 VanDerWaalsContact O-N 3.1Å; R48-G50 PolarHBondContact O-N 2.97Å; G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.41Å; G50-Y54 PolarHBondContact O-N 3.25Å
51I98.8Very high97.7Very high0 Ų064.6 Ų64.60%037%0.369CS..Hα-helixtrans-66.2-40.4180-63.5166.2000110.8Y31 F37 V45 G47 R48 A53 Y54 F55Y31-I51 HydrophobicContact CD1-CD1 3.56Å; Y31-I51 HydrophobicContact CD1-CG2 4.3Å; Y31-I51 HydrophobicContact CD2-CG2 3.91Å; Y31-I51 HydrophobicContact CE1-CD1 4.14Å; Y31-I51 HydrophobicContact CE1-CG2 4.27Å; Y31-I51 HydrophobicContact CE2-CG2 3.94Å; Y31-I51 HydrophobicContact CG-CD1 3.9Å; Y31-I51 HydrophobicContact CG-CG2 4.09Å; F37-I51 HydrophobicContact CB-CD1 3.92Å; F37-I51 HydrophobicContact CB-CG1 3.71Å; F37-I51 HydrophobicContact CG-CG1 4.44Å; V45-I51 HydrophobicContact CG1-CG1 4.03Å; G47-I51 WeakPolarHBondContact O-CG1 3.42Å; G47-I51 PolarHBondContact O-N 2.98Å; G47-I51 VanDerWaalsContact O-N 3.16Å; R48-I51 PolarHBondContact O-N 2.84Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.13Å; I51-Y54 WeakPolarHBondContact O-CB 3.48Å; I51-Y54 PolarHBondContact O-N 3.19Å; I51-F55 HydrophobicContact CG2-CD2 4.13Å; I51-F55 HydrophobicContact CG2-CE2 3.51Å; I51-F55 HydrophobicContact CG2-CZ 3.73Å; I51-F55 PolarHBondContact O-N 3.09Å
52E98.7Very high97.8Very high48 Ų4861.1 Ų61.122%0.22433%0.333CS..Hα-helixtrans-58.5-44.3171.2-175.2-171151.200111.7A24 A28 R48 Y54 F55 K56A24-E52 HydrophobicContact CB-CG 4.35Å; A28-E52 HydrophobicContact CB-CB 3.69Å; A28-E52 HydrophobicContact CB-CG 4.34Å; R48-E52 PolarHBondContact O-N 3.39Å; E52-Y54 VanDerWaalsContact C-N 3.33Å; E52-Y54 PolarHBondContact O-N 3.46Å; E52-F55 PolarHBondContact O-N 3.46Å; E52-K56 WeakPolarHBondContact O-CG 3.5Å; E52-K56 PolarHBondContact O-N 3.1Å; E52-K56 WeakPolarHBondContact OE1-CE 3.49Å; E52-K56 IonicContact OE1-NZ 3.4Å; E52-K56 PolarHBondContact OE1-NZ 2.99Å
53A98.3Very high98Very high43 Ų4356.1 Ų56.136%0.35532%0.316SS..Hα-helixtrans-62.1-41.6176.800000111.7S49 G50 I51 F55 K56 E57S49-A53 PolarHBondContact O-N 3.03Å; S49-A53 VanDerWaalsContact O-N 3.13Å; G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.41Å; I51-A53 VanDerWaalsContact C-N 3.33Å; I51-A53 PolarHBondContact O-N 3.13Å; A53-F55 PolarHBondContact O-N 3.21Å; A53-K56 WeakPolarHBondContact O-CB 3.25Å; A53-K56 PolarHBondContact O-N 2.96Å; A53-E57 PolarHBondContact O-N 3.49Å
54Y98.2Very high98.1Very high20 Ų2054.6 Ų54.68%0.07830%0.304CS..Hα-helixtrans-59.1-46.1174177.7-82.4000111.9F37 P39 V45 G50 I51 E52 K56 E57 D58F37-Y54 HydrophobicContact CD1-CD1 4.23Å; F37-Y54 HydrophobicContact CD1-CG 4.21Å; F37-Y54 AromaticContact CE1-CD1 3.37Å; F37-Y54 HydrophobicContact CE1-CD1 3.37Å; F37-Y54 HydrophobicContact CE1-CD2 4.01Å; F37-Y54 AromaticContact CE1-CE1 3.42Å; F37-Y54 HydrophobicContact CE1-CE1 3.42Å; F37-Y54 VanDerWaalsContact CE1-CE1 3.42Å; F37-Y54 HydrophobicContact CE1-CE2 4.03Å; F37-Y54 AromaticContact CE1-CG 3.7Å; F37-Y54 HydrophobicContact CE1-CG 3.7Å; F37-Y54 AromaticContact CE1-CZ 3.78Å; F37-Y54 HydrophobicContact CZ-CD1 4.11Å; F37-Y54 AromaticContact CZ-CE1 3.82Å; F37-Y54 HydrophobicContact CZ-CE1 3.82Å; P39-Y54 HydrophobicContact CB-CD2 4.37Å; P39-Y54 HydrophobicContact CB-CE2 3.55Å; P39-Y54 HydrophobicContact CG-CD2 4.11Å; P39-Y54 HydrophobicContact CG-CE2 3.73Å; V45-Y54 HydrophobicContact CG2-CD2 4.44Å; G50-Y54 PolarHBondContact O-N 3.25Å; I51-Y54 WeakPolarHBondContact O-CB 3.48Å; I51-Y54 PolarHBondContact O-N 3.19Å; E52-Y54 VanDerWaalsContact C-N 3.33Å; E52-Y54 PolarHBondContact O-N 3.46Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.88Å; Y54-E57 WeakPolarHBondContact O-CB 3.36Å; Y54-E57 PolarHBondContact O-N 3.23Å; Y54-E57 VanDerWaalsContact O-N 3.14Å; Y54-D58 WeakPolarHBondContact CE1-OD2 3.14Å; Y54-D58 PolarHBondContact O-N 3.2Å; Y54-D58 PolarHBondContact OH-OD2 3.27Å
55F98.5Very high98.1Very high7 Ų754.8 Ų54.83%0.03130%0.304CS..Hα-helixtrans-65.7-34.3177.7-65.2-32.2000112.8F15 F19 A24 A27 A28 Y31 F37 I51 E52 A53 E57 D58 M59F15-F55 HydrophobicContact CE2-CE1 4.32Å; F15-F55 AromaticContact CE2-CE2 3.91Å; F15-F55 HydrophobicContact CE2-CE2 3.91Å; F15-F55 AromaticContact CE2-CZ 3.7Å; F15-F55 HydrophobicContact CE2-CZ 3.7Å; F15-F55 HydrophobicContact CZ-CZ 4.3Å; F19-F55 HydrophobicContact CD2-CD1 4.37Å; F19-F55 HydrophobicContact CD2-CG 4.45Å; F19-F55 HydrophobicContact CE2-CB 4.41Å; F19-F55 AromaticContact CE2-CD1 3.9Å; F19-F55 HydrophobicContact CE2-CD1 3.9Å; F19-F55 HydrophobicContact CE2-CG 4.24Å; A24-F55 HydrophobicContact CB-CB 4.07Å; A27-F55 HydrophobicContact CB-CD2 3.88Å; A27-F55 HydrophobicContact CB-CE2 4.14Å; A28-F55 HydrophobicContact CB-CD2 4.33Å; A28-F55 HydrophobicContact CB-CE2 4.47Å; Y31-F55 HydrophobicContact CD2-CE2 4.35Å; Y31-F55 AromaticContact CE2-CE2 3.75Å; Y31-F55 HydrophobicContact CE2-CE2 3.75Å; Y31-F55 AromaticContact CE2-CZ 3.65Å; Y31-F55 HydrophobicContact CE2-CZ 3.65Å; Y31-F55 AromaticContact CZ-CZ 3.94Å; F37-F55 HydrophobicContact CZ-CE1 4.45Å; I51-F55 HydrophobicContact CG2-CD2 4.13Å; I51-F55 HydrophobicContact CG2-CE2 3.51Å; I51-F55 HydrophobicContact CG2-CZ 3.73Å; I51-F55 PolarHBondContact O-N 3.09Å; E52-F55 PolarHBondContact O-N 3.46Å; A53-F55 PolarHBondContact O-N 3.21Å; F55-E57 VanDerWaalsContact C-N 3.32Å; F55-D58 PolarHBondContact O-N 2.63Å; F55-M59 WeakPolarHBondContact O-CB 3.27Å; F55-M59 WeakPolarHBondContact O-CG 3.37Å; F55-M59 PolarHBondContact O-N 3.4Å
56K98.6Very high98.1Very high110 Ų11053.6 Ų53.648%0.47830%0.297SS..Hα-helixtrans-62.2-40.4171.8-72.1174.7-177167.60111.8A24 E52 A53 Y54 A60A24-K56 HydrophobicContact CB-CG 3.59Å; E52-K56 WeakPolarHBondContact O-CG 3.5Å; E52-K56 PolarHBondContact O-N 3.1Å; E52-K56 WeakPolarHBondContact OE1-CE 3.49Å; E52-K56 IonicContact OE1-NZ 3.4Å; E52-K56 PolarHBondContact OE1-NZ 2.99Å; A53-K56 WeakPolarHBondContact O-CB 3.25Å; A53-K56 PolarHBondContact O-N 2.96Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 2.88Å; K56-A60 VanDerWaalsContact O-CB 3.27Å; K56-A60 WeakPolarHBondContact O-CB 3.24Å; K56-A60 PolarHBondContact O-N 3.46Å
57E98Very high98.2Very high96 Ų9651 Ų5145%0.44929%0.288SS..Hα-helixtrans-62.7-48.8174.5-71.2177.2-163.100111.4R42 A53 Y54 F55 M59 A60 D61R42-E57 IonicContact NH1-OE2 2.7Å; R42-E57 PolarHBondContact NH1-OE2 3.19Å; A53-E57 PolarHBondContact O-N 3.49Å; Y54-E57 WeakPolarHBondContact O-CB 3.36Å; Y54-E57 PolarHBondContact O-N 3.23Å; Y54-E57 VanDerWaalsContact O-N 3.14Å; F55-E57 VanDerWaalsContact C-N 3.32Å; E57-M59 VanDerWaalsContact C-N 3.32Å; E57-M59 PolarHBondContact O-N 2.98Å; E57-A60 PolarHBondContact O-N 2.94Å; E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.34Å
58D97.1Very high98.2Very high12 Ų1251.5 Ų51.56%0.06429%0.286CS..Hα-helixtrans-59.7-42.5178.2-88.6-2.1000112.1Y54 F55 D61 G62 V63Y54-D58 WeakPolarHBondContact CE1-OD2 3.14Å; Y54-D58 PolarHBondContact O-N 3.2Å; Y54-D58 PolarHBondContact OH-OD2 3.27Å; F55-D58 PolarHBondContact O-N 2.63Å; D58-D61 PolarHBondContact O-N 3.12Å; D58-G62 PolarHBondContact O-N 3.4Å; D58-V63 HydrophobicContact CB-CB 4.3Å; D58-V63 HydrophobicContact CB-CG2 4.16Å; D58-V63 WeakPolarHBondContact O-CB 3.35Å; D58-V63 WeakPolarHBondContact O-CG2 3.47Å; D58-V63 PolarHBondContact O-N 2.7Å
59M98.3Very high98.3Very high40 Ų4050.6 Ų50.620%0.19729%0.286CS..Hα-helixtrans-65.1-41.6176.3-70.4173.8-175.100112.1F19 A24 F55 E57 D61 G62 V63F19-M59 HydrophobicContact CD1-CE 4.45Å; F19-M59 HydrophobicContact CD2-CE 3.81Å; F19-M59 HydrophobicContact CE2-CE 4Å; F19-M59 HydrophobicContact CG-CE 4.05Å; F19-M59 HydrophobicContact CZ-CE 4.4Å; A24-M59 HydrophobicContact CB-CE 4.21Å; A24-M59 HydrophobicContact CB-SD 3.98Å; F55-M59 WeakPolarHBondContact O-CB 3.27Å; F55-M59 WeakPolarHBondContact O-CG 3.37Å; F55-M59 PolarHBondContact O-N 3.4Å; E57-M59 VanDerWaalsContact C-N 3.32Å; E57-M59 PolarHBondContact O-N 2.98Å; M59-D61 VanDerWaalsContact C-N 3.32Å; M59-G62 PolarHBondContact O-N 2.92Å; M59-G62 VanDerWaalsContact O-N 3.13Å; M59-V63 WeakPolarHBondContact CA-O 3.07Å
60A98.2Very high98.3Very high88 Ų8847 Ų4773%0.72726%0.261SS*.Hα-helixtrans-66.6-34175.700000112.5K56 E57 G62K56-A60 VanDerWaalsContact O-CB 3.27Å; K56-A60 WeakPolarHBondContact O-CB 3.24Å; K56-A60 PolarHBondContact O-N 3.46Å; E57-A60 PolarHBondContact O-N 2.94Å; A60-G62 PolarHBondContact O-N 3.06Å
61D96.7Very high98.3Very high82 Ų8250.8 Ų50.844%0.43927%0.272SS..THydrogen-bonded Turntrans-71.6-7.1173.5-83.22.8000112.9E57 D58 M59 K92E57-D61 WeakPolarHBondContact O-CB 3.38Å; E57-D61 PolarHBondContact O-N 3.34Å; D58-D61 PolarHBondContact O-N 3.12Å; M59-D61 VanDerWaalsContact C-N 3.32Å; D61-K92 HydrophobicContact CB-CD 4.26Å; D61-K92 IonicContact OD2-NZ 3.71Å; D61-K92 PolarHBondContact OD2-NZ 2.89Å
62G97.7Very high98.3Very high7 Ų753.8 Ų53.87%0.07229%0.286CS..THydrogen-bonded Turntrans99.915.7173.800000115.4D58 M59 A60 G90 T91 K92D58-G62 PolarHBondContact O-N 3.4Å; M59-G62 PolarHBondContact O-N 2.92Å; M59-G62 VanDerWaalsContact O-N 3.13Å; A60-G62 PolarHBondContact O-N 3.06Å; G62-G90 CarbonylContact O-C 3.39Å; G62-G90 VanDerWaalsContact O-CA 3.29Å; G62-G90 WeakPolarHBondContact O-CA 3.49Å; G62-T91 VanDerWaalsContact CA-OG1 3.25Å; G62-T91 WeakPolarHBondContact CA-OG1 3.19Å; G62-T91 PolarHBondContact O-N 2.83Å; G62-T91 PolarHBondContact O-OG1 3.32Å; G62-K92 PolarHBondContact O-N 3.14Å
63V98.3Very high98.3Very high11 Ų1152.1 Ų52.17%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-75.5122.1166.4-172.80000108.5F19 D58 M59 L88 K92F19-V63 HydrophobicContact CE1-CG1 3.84Å; F19-V63 HydrophobicContact CZ-CB 4.47Å; F19-V63 HydrophobicContact CZ-CG1 3.86Å; D58-V63 HydrophobicContact CB-CB 4.3Å; D58-V63 HydrophobicContact CB-CG2 4.16Å; D58-V63 WeakPolarHBondContact O-CB 3.35Å; D58-V63 WeakPolarHBondContact O-CG2 3.47Å; D58-V63 PolarHBondContact O-N 2.7Å; M59-V63 WeakPolarHBondContact CA-O 3.07Å; V63-L88 HydrophobicContact CG1-CB 4Å; V63-L88 HydrophobicContact CG1-CD1 4.26Å; V63-L88 HydrophobicContact CG1-CD2 4.32Å; V63-L88 HydrophobicContact CG1-CG 4.4Å; V63-K92 HydrophobicContact CG2-CD 4.16Å
64Q98.4Very high98.3Very high115 Ų11554.1 Ų54.154%0.53728%0.283SS..EExtended strand (participates in β ladder)trans-114.4-31.8-173.5-67.3179.8-22.800113D89Q64-D89 PolarHBondContact N-O 3.47Å
65T98.6Very high98.2Very high62 Ų6254.8 Ų54.838%0.3830%0.296SS..EExtended strand (participates in β ladder)trans-133.8142.4-179.468.10000111.4N20 L88 D89N20-T65 VanDerWaalsContact OD1-CA 3.26Å; N20-T65 WeakPolarHBondContact OD1-CA 3.37Å; T65-L88 WeakPolarHBondContact O-CA 3.26Å; T65-D89 PolarHBondContact N-O 3.19Å; T65-D89 PolarHBondContact O-N 3.4Å; T65-D89 WeakPolarHBondContact OG1-CB 3.3Å
66A98.7Very high98Very high3 Ų357 Ų573%0.02532%0.321CS..EExtended strand (participates in β ladder)trans-119.6134.2168.100000109F15 F19 N20 H87 L88F15-A66 HydrophobicContact CE1-CB 4.15Å; F19-A66 HydrophobicContact CD1-CB 3.65Å; F19-A66 HydrophobicContact CE1-CB 3.98Å; F19-A66 HydrophobicContact CG-CB 4.12Å; N20-A66 PolarHBondContact ND2-O 3.06Å; N20-A66 PolarHBondContact OD1-N 3.24Å; N20-A66 PolarHBondContact OD1-O 2.91Å; A66-H87 WeakPolarHBondContact CA-O 3.11Å; A66-L88 HydrophobicContact CB-CD2 3.71Å
67Q98.8Very high97.9Very high105 Ų10555 Ų5549%0.49133%0.332SS..EExtended strand (participates in β ladder)trans-120.8118.7168.3-177.8178.632.100108.5I69 Y86 H87Q67-I69 HydrophobicContact CG-CG1 4.44Å; Q67-Y86 CarbonylContact O-C 3.54Å; Q67-Y86 VanDerWaalsContact O-CA 3.26Å; Q67-Y86 WeakPolarHBondContact O-CA 3.23Å; Q67-H87 HydrophobicContact CB-CB 4.31Å; Q67-H87 PolarHBondContact N-O 2.95Å; Q67-H87 PolarHBondContact O-N 2.69Å
68I98.8Very high97.9Very high26 Ų2655 Ų5513%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-103.7128.3177.2-53.9-55.5000109.4Q12 F15 M16 Y99Q12-I68 HydrophobicContact CB-CG2 4.44Å; Q12-I68 HydrophobicContact CG-CG2 4.14Å; F15-I68 HydrophobicContact CD1-CG1 3.98Å; F15-I68 HydrophobicContact CE1-CD1 4.21Å; F15-I68 HydrophobicContact CE1-CG1 4Å; M16-I68 HydrophobicContact CG-CB 4.33Å; M16-I68 HydrophobicContact CG-CG1 4.01Å; M16-I68 HydrophobicContact SD-CB 4.07Å; M16-I68 HydrophobicContact SD-CG1 4.35Å; M16-I68 PolarHBondContact SD-N 3.19Å; I68-Y99 HydrophobicContact CG2-CE1 3.69Å; I68-Y99 WeakPolarHBondContact CG2-OH 3.41Å
69I98.6Very high98Very high66 Ų6660.1 Ų60.134%0.33835%0.353SS..EExtended strand (participates in β ladder)trans-114.398.4178.5-56.4173.4000107.8Q67 E71 G84 S85Q67-I69 HydrophobicContact CG-CG1 4.44Å; I69-E71 PolarHBondContact O-N 2.89Å; I69-G84 VanDerWaalsContact O-CA 3.23Å; I69-G84 WeakPolarHBondContact O-CA 3.34Å; I69-S85 PolarHBondContact N-O 2.89Å; I69-S85 PolarHBondContact O-N 3.33Å; I69-S85 VanDerWaalsContact O-N 3.09Å
70T98.7Very high98Very high21 Ų2158.4 Ų58.413%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-68.3117.5173.4-53.50000110.8F5 V73 E82F5-T70 HydrophobicContact CD2-CG2 4.33Å; F5-T70 HydrophobicContact CE2-CG2 3.64Å; F5-T70 HydrophobicContact CZ-CG2 3.75Å; T70-V73 HydrophobicContact CG2-CG2 3.44Å; T70-V73 VanDerWaalsContact CG2-CG2 3.44Å; T70-E82 VanDerWaalsContact CB-OE1 3.24Å; T70-E82 WeakPolarHBondContact CB-OE1 3.38Å; T70-E82 HydrophobicContact CG2-CG 4Å; T70-E82 WeakPolarHBondContact CG2-OE1 3.47Å; T70-E82 PolarHBondContact OG1-OE1 3.48Å
71E98.4Very high98.1Very high105 Ų10558 Ų5849%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-98.3-45.5178.4-69.3176.3-162.500112I69 R83 S85I69-E71 PolarHBondContact O-N 2.89Å; E71-R83 PolarHBondContact N-O 2.86Å; E71-R83 IonicContact OE2-NH1 3.17Å; E71-R83 PolarHBondContact OE2-NH1 3.34Å; E71-S85 PolarHBondContact OE1-OG 3.38Å
72E98.6Very high98.2Very high63 Ų6354.1 Ų54.129%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-139.6137.4-179.3-178.4-179.2170.600110E82 R83E72-E82 VanDerWaalsContact O-CA 3.29Å; E72-E82 WeakPolarHBondContact O-CA 3.46Å; E72-R83 HydrophobicContact CB-CG 3.94Å; E72-R83 PolarHBondContact N-O 3.34Å; E72-R83 PolarHBondContact O-N 3.29Å; E72-R83 IonicContact OE2-CZ 3.19Å; E72-R83 IonicContact OE2-NE 2.82Å; E72-R83 PolarHBondContact OE2-NE 3.4Å; E72-R83 IonicContact OE2-NH2 2.73Å; E72-R83 PolarHBondContact OE2-NH2 3.27Å
73V98.8Very high98.2Very high13 Ų1359 Ų598%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-131.8128.5167.8-177.40000107.7L4 F5 V8 T70 F81 E82L4-V73 HydrophobicContact CD2-CG1 4.15Å; L4-V73 HydrophobicContact CG-CG1 3.8Å; F5-V73 HydrophobicContact CB-CB 4.28Å; F5-V73 HydrophobicContact CD2-CB 3.91Å; F5-V73 HydrophobicContact CD2-CG2 3.77Å; F5-V73 HydrophobicContact CE2-CG2 4.23Å; F5-V73 HydrophobicContact CG-CB 4.44Å; F5-V73 HydrophobicContact CG-CG2 4.33Å; V8-V73 HydrophobicContact CB-CG1 3.98Å; V8-V73 HydrophobicContact CB-CG2 4.06Å; V8-V73 HydrophobicContact CG1-CG1 4.32Å; V8-V73 HydrophobicContact CG1-CG2 3.88Å; V8-V73 HydrophobicContact CG2-CG1 3.73Å; T70-V73 HydrophobicContact CG2-CG2 3.44Å; T70-V73 VanDerWaalsContact CG2-CG2 3.44Å; V73-F81 WeakPolarHBondContact CA-O 3.2Å; V73-E82 HydrophobicContact CG2-CB 4.27Å; V73-E82 HydrophobicContact CG2-CG 4.02Å
74N98.2Very high98.2Very high84 Ų8458.7 Ų58.745%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-146.5158.3175.2-166.1-4.4000109.6A80 F81N74-A80 CarbonylContact O-C 3.59Å; N74-A80 VanDerWaalsContact O-CA 3.31Å; N74-A80 WeakPolarHBondContact O-CA 3.33Å; N74-F81 HydrophobicContact CB-CE1 3.91Å; N74-F81 HydrophobicContact CB-CE2 3.79Å; N74-F81 HydrophobicContact CB-CZ 3.48Å; N74-F81 VanDerWaalsContact CB-CZ 3.48Å; N74-F81 PolarHBondContact N-O 3.31Å; N74-F81 WeakPolarHBondContact O-CD1 3.12Å; N74-F81 PolarHBondContact O-N 3.25Å
75G97.3Very high98.3Very high34 Ų3454.5 Ų54.535%0.35131%0.305SS..EExtended strand (participates in β ladder)trans162.8-177.6-170.500000113.8W79G75-W79 CarbonylContact C-O 3.52Å; G75-W79 WeakPolarHBondContact CA-O 3.41Å
76G94.2Very high98.3Very high53 Ų5352 Ų5255%0.54629%0.289SS..EExtended strand (participates in β ladder)trans-169.1149.7179.100000112D78 W79G76-D78 PolarHBondContact O-N 2.95Å; G76-W79 PolarHBondContact N-O 3.01Å; G76-W79 PolarHBondContact O-N 3.11Å
77G96.4Very high98.3Very high69 Ų6954.1 Ų54.171%0.71130%0.298SS*.THydrogen-bonded Turntrans59.6-129.9-172.900000111W79G77-W79 VanDerWaalsContact C-N 3.31Å; G77-W79 PolarHBondContact O-N 2.63Å
78D98.1Very high98.3Very high97 Ų9750.2 Ų50.252%0.51928%0.28SS..THydrogen-bonded Turntrans-90.712.5-178.8-58.9-36.9000113.5G76 K104 K105 W110G76-D78 PolarHBondContact O-N 2.95Å; D78-K104 CarbonylContact O-C 3.48Å; D78-K104 VanDerWaalsContact O-CA 3.26Å; D78-K104 WeakPolarHBondContact O-CA 3.39Å; D78-K105 HydrophobicContact CB-CB 4.12Å; D78-K105 PolarHBondContact O-N 2.89Å; D78-W110 WeakPolarHBondContact O-CZ3 3.43Å
79W98.7Very high98.2Very high118 Ų11852.4 Ų52.445%0.44729%0.292SS..EExtended strand (participates in β ladder)trans-127.6140.4-177.6-65.696.7000112.4G75 G76 G77 I102 W103 K104 H113G75-W79 CarbonylContact C-O 3.52Å; G75-W79 WeakPolarHBondContact CA-O 3.41Å; G76-W79 PolarHBondContact N-O 3.01Å; G76-W79 PolarHBondContact O-N 3.11Å; G77-W79 VanDerWaalsContact C-N 3.31Å; G77-W79 PolarHBondContact O-N 2.63Å; W79-I102 HydrophobicContact CE3-CG2 3.76Å; W79-I102 HydrophobicContact CZ3-CG2 3.88Å; W79-W103 WeakPolarHBondContact CA-O 3.45Å; W79-K104 HydrophobicContact CE3-CB 4.08Å; W79-K104 HydrophobicContact CE3-CG 4.36Å; W79-K104 HydrophobicContact CH2-CB 4.18Å; W79-K104 HydrophobicContact CH2-CD 3.77Å; W79-K104 HydrophobicContact CH2-CG 3.99Å; W79-K104 HydrophobicContact CZ2-CD 4Å; W79-K104 HydrophobicContact CZ2-CG 4.12Å; W79-K104 HydrophobicContact CZ3-CB 3.82Å; W79-K104 HydrophobicContact CZ3-CD 4.27Å; W79-K104 HydrophobicContact CZ3-CG 4.11Å; W79-H113 AromaticContact CH2-CD2 3.67Å; W79-H113 HydrophobicContact CZ3-CB 4.24Å; W79-H113 AromaticContact CZ3-CD2 3.67Å
80A98.8Very high98.2Very high4 Ų450 Ų503%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-142.7159.3169.100000110.9L4 N74 I102 W103 W110L4-A80 HydrophobicContact CD1-CB 3.97Å; L4-A80 HydrophobicContact CD2-CB 4.04Å; L4-A80 HydrophobicContact CG-CB 4.41Å; N74-A80 CarbonylContact O-C 3.59Å; N74-A80 VanDerWaalsContact O-CA 3.31Å; N74-A80 WeakPolarHBondContact O-CA 3.33Å; A80-I102 CarbonylContact O-C 3.53Å; A80-I102 WeakPolarHBondContact O-CA 3.35Å; A80-W103 HydrophobicContact CB-CB 4.21Å; A80-W103 PolarHBondContact N-O 2.95Å; A80-W103 PolarHBondContact O-N 3.01Å; A80-W110 HydrophobicContact CB-CH2 4.01Å; A80-W110 HydrophobicContact CB-CZ3 4.03Å
81F98.8Very high98.2Very high80 Ų8054.3 Ų54.335%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-122.4142.5167.960.9-93.3000109.6V73 N74 Q101 I102V73-F81 WeakPolarHBondContact CA-O 3.2Å; N74-F81 HydrophobicContact CB-CE1 3.91Å; N74-F81 HydrophobicContact CB-CE2 3.79Å; N74-F81 HydrophobicContact CB-CZ 3.48Å; N74-F81 VanDerWaalsContact CB-CZ 3.48Å; N74-F81 PolarHBondContact N-O 3.31Å; N74-F81 WeakPolarHBondContact O-CD1 3.12Å; N74-F81 PolarHBondContact O-N 3.25Å; F81-Q101 CarbonylContact C-O 3.59Å; F81-Q101 VanDerWaalsContact CA-O 3.27Å; F81-Q101 WeakPolarHBondContact CA-O 2.99Å; F81-I102 HydrophobicContact CB-CD1 3.75Å
82E98.8Very high98Very high0 Ų053.3 Ų53.30%031%0.305CS..EExtended strand (participates in β ladder)trans-126.8136.8177178.5-179.3-157.800109V8 Q12 T70 E72 V73 Y99 L100 Q101 W103V8-E82 HydrophobicContact CG1-CB 4.18Å; V8-E82 VanDerWaalsContact CG1-CD 3.47Å; V8-E82 HydrophobicContact CG1-CG 4.22Å; V8-E82 WeakPolarHBondContact CG1-OE2 3.35Å; Q12-E82 WeakPolarHBondContact CG-OE1 3.49Å; Q12-E82 VanDerWaalsContact NE2-CD 3.3Å; Q12-E82 PolarHBondContact NE2-OE1 2.98Å; Q12-E82 PolarHBondContact NE2-OE2 2.99Å; T70-E82 VanDerWaalsContact CB-OE1 3.24Å; T70-E82 WeakPolarHBondContact CB-OE1 3.38Å; T70-E82 HydrophobicContact CG2-CG 4Å; T70-E82 WeakPolarHBondContact CG2-OE1 3.47Å; T70-E82 PolarHBondContact OG1-OE1 3.48Å; E72-E82 VanDerWaalsContact O-CA 3.29Å; E72-E82 WeakPolarHBondContact O-CA 3.46Å; V73-E82 HydrophobicContact CG2-CB 4.27Å; V73-E82 HydrophobicContact CG2-CG 4.02Å; E82-Y99 VanDerWaalsContact CD-OH 3.27Å; E82-Y99 HydrophobicContact CG-CE2 3.87Å; E82-Y99 PolarHBondContact OE1-OH 2.92Å; E82-L100 WeakPolarHBondContact O-CA 3.21Å; E82-L100 WeakPolarHBondContact O-CD1 3.41Å; E82-Q101 HydrophobicContact CB-CB 4.47Å; E82-Q101 PolarHBondContact N-O 3.41Å; E82-Q101 PolarHBondContact O-N 3.28Å; E82-Q101 PolarHBondContact OE2-OE1 3.5Å; E82-W103 VanDerWaalsContact OE2-CE2 3.28Å; E82-W103 WeakPolarHBondContact OE2-CZ2 3.41Å; E82-W103 PolarHBondContact OE2-NE1 2.84Å
83R98.8Very high97.9Very high111 Ų11151.1 Ų51.142%0.41930%0.299SS..EExtended strand (participates in β ladder)trans-127.3154.1165.363.4175.7-176.286.53.9110.2E71 E72 Y99 L100E71-R83 PolarHBondContact N-O 2.86Å; E71-R83 IonicContact OE2-NH1 3.17Å; E71-R83 PolarHBondContact OE2-NH1 3.34Å; E72-R83 HydrophobicContact CB-CG 3.94Å; E72-R83 PolarHBondContact N-O 3.34Å; E72-R83 PolarHBondContact O-N 3.29Å; E72-R83 IonicContact OE2-CZ 3.19Å; E72-R83 IonicContact OE2-NE 2.82Å; E72-R83 PolarHBondContact OE2-NE 3.4Å; E72-R83 IonicContact OE2-NH2 2.73Å; E72-R83 PolarHBondContact OE2-NH2 3.27Å; R83-Y99 WeakPolarHBondContact CA-O 3.41Å; R83-L100 HydrophobicContact CB-CD1 4.27Å
84G98.8Very high97.9Very high4 Ų456.9 Ų56.94%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-179.3-161.9176.800000112.4I69 A98 Y99I69-G84 VanDerWaalsContact O-CA 3.23Å; I69-G84 WeakPolarHBondContact O-CA 3.34Å; G84-A98 WeakPolarHBondContact O-CA 3.48Å; G84-Y99 VanDerWaalsContact C-CD1 3.48Å; G84-Y99 VanDerWaalsContact CA-CE1 3.49Å; G84-Y99 PolarHBondContact N-O 2.92Å; G84-Y99 WeakPolarHBondContact O-CD1 3.35Å; G84-Y99 PolarHBondContact O-N 3.32Å
85S98.8Very high97.9Very high26 Ų2654.4 Ų54.418%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-117.7156.5176.644.20000111.2I69 E71 G97 Y99I69-S85 PolarHBondContact N-O 2.89Å; I69-S85 PolarHBondContact O-N 3.33Å; I69-S85 VanDerWaalsContact O-N 3.09Å; E71-S85 PolarHBondContact OE1-OG 3.38Å; S85-G97 VanDerWaalsContact CA-O 3.3Å; S85-G97 WeakPolarHBondContact CA-O 3.43Å; S85-G97 WeakPolarHBondContact CB-O 3.16Å; S85-Y99 WeakPolarHBondContact O-CE1 3.37Å
86Y98.8Very high97.9Very high11 Ų1153.6 Ų53.64%0.04329%0.294CS..EExtended strand (participates in β ladder)trans-129.8152.8174.374.8-92.2000111.1Q67 L88 E95 S96 G97 F117 V119Q67-Y86 CarbonylContact O-C 3.54Å; Q67-Y86 VanDerWaalsContact O-CA 3.26Å; Q67-Y86 WeakPolarHBondContact O-CA 3.23Å; Y86-L88 HydrophobicContact CD2-CD1 4.36Å; Y86-L88 HydrophobicContact CD2-CD2 4.13Å; Y86-L88 HydrophobicContact CD2-CG 3.75Å; Y86-L88 HydrophobicContact CE2-CD1 3.96Å; Y86-L88 HydrophobicContact CE2-CG 3.77Å; Y86-E95 WeakPolarHBondContact CE2-OE1 3.39Å; Y86-E95 PolarHBondContact OH-OE1 3.25Å; Y86-S96 VanDerWaalsContact O-CA 3.28Å; Y86-S96 WeakPolarHBondContact O-CA 3.49Å; Y86-S96 WeakPolarHBondContact O-CB 3.39Å; Y86-G97 VanDerWaalsContact CD1-C 3.5Å; Y86-G97 VanDerWaalsContact CE1-C 3.44Å; Y86-G97 PolarHBondContact N-O 3.21Å; Y86-G97 PolarHBondContact O-N 2.87Å; Y86-G97 VanDerWaalsContact O-N 3.11Å; Y86-F117 HydrophobicContact CD1-CB 4.41Å; Y86-F117 HydrophobicContact CE1-CB 3.87Å; Y86-F117 AromaticContact CE1-CD2 3.7Å; Y86-F117 HydrophobicContact CE1-CD2 3.7Å; Y86-F117 HydrophobicContact CE1-CG 4.08Å; Y86-F117 AromaticContact CZ-CD2 3.69Å; Y86-F117 VanDerWaalsContact OH-CD2 3.27Å; Y86-F117 WeakPolarHBondContact OH-CD2 3.32Å; Y86-V119 WeakPolarHBondContact OH-CG2 3.27Å
87H98.6Very high98.1Very high46 Ų4651.2 Ų51.221%0.21327%0.269CS..EExtended strand (participates in β ladder)trans-125.4130.7166.4-61.7-75.1000108.9A66 Q67 E95 S96A66-H87 WeakPolarHBondContact CA-O 3.11Å; Q67-H87 HydrophobicContact CB-CB 4.31Å; Q67-H87 PolarHBondContact N-O 2.95Å; Q67-H87 PolarHBondContact O-N 2.69Å; H87-E95 WeakPolarHBondContact CA-O 3.27Å; H87-S96 WeakPolarHBondContact ND1-CB 3.47Å
88L98.5Very high98.3Very high23 Ų2349.3 Ų49.312%0.1225%0.247CC..EExtended strand (participates in β ladder)trans-110.4145.9168.5-54179.3000109V63 T65 A66 Y86 R94 E95V63-L88 HydrophobicContact CG1-CB 4Å; V63-L88 HydrophobicContact CG1-CD1 4.26Å; V63-L88 HydrophobicContact CG1-CD2 4.32Å; V63-L88 HydrophobicContact CG1-CG 4.4Å; T65-L88 WeakPolarHBondContact O-CA 3.26Å; A66-L88 HydrophobicContact CB-CD2 3.71Å; Y86-L88 HydrophobicContact CD2-CD1 4.36Å; Y86-L88 HydrophobicContact CD2-CD2 4.13Å; Y86-L88 HydrophobicContact CD2-CG 3.75Å; Y86-L88 HydrophobicContact CE2-CD1 3.96Å; Y86-L88 HydrophobicContact CE2-CG 3.77Å; L88-R94 WeakPolarHBondContact O-CA 3.39Å; L88-E95 HydrophobicContact CB-CB 4.18Å; L88-E95 PolarHBondContact N-O 2.97Å; L88-E95 PolarHBondContact O-N 2.94Å
89D98.3Very high98.3Very high72 Ų7245.4 Ų45.439%0.38523%0.225SC..EExtended strand (participates in β ladder)trans-146159.1176.9-148.2-22.5000111Q64 T65Q64-D89 PolarHBondContact N-O 3.47Å; T65-D89 PolarHBondContact N-O 3.19Å; T65-D89 PolarHBondContact O-N 3.4Å; T65-D89 WeakPolarHBondContact OG1-CB 3.3Å
90G97.7Very high98.3Very high16 Ų1643.5 Ų43.517%0.16522%0.223CC..EExtended strand (participates in β ladder)trans152.5-161.6-17900000112.2G62 K92 G93G62-G90 CarbonylContact O-C 3.39Å; G62-G90 VanDerWaalsContact O-CA 3.29Å; G62-G90 WeakPolarHBondContact O-CA 3.49Å; G90-K92 PolarHBondContact O-N 3.41Å; G90-G93 PolarHBondContact O-N 3.1Å; G90-G93 VanDerWaalsContact O-N 3.13Å
91T97.9Very high98.3Very high112 Ų11243.8 Ų43.869%0.68722%0.224SC*.THydrogen-bonded Turntrans-69.8-18-17855.90000113.3G62 G93G62-T91 VanDerWaalsContact CA-OG1 3.25Å; G62-T91 WeakPolarHBondContact CA-OG1 3.19Å; G62-T91 PolarHBondContact O-N 2.83Å; G62-T91 PolarHBondContact O-OG1 3.32Å; T91-G93 PolarHBondContact O-N 3.43Å
92K94.5Very high98.3Very high83 Ų8342.4 Ų42.436%0.36122%0.22SC..THydrogen-bonded Turntrans-72.3-14.2173.8-167.1172.3-179.1170.10113D61 G62 V63 G90 A123D61-K92 HydrophobicContact CB-CD 4.26Å; D61-K92 IonicContact OD2-NZ 3.71Å; D61-K92 PolarHBondContact OD2-NZ 2.89Å; G62-K92 PolarHBondContact O-N 3.14Å; V63-K92 HydrophobicContact CG2-CD 4.16Å; G90-K92 PolarHBondContact O-N 3.41Å; K92-A123 HydrophobicContact CG-CB 4.17Å; K92-A123 WeakPolarHBondContact O-CB 3.43Å
93G97.7Very high98.3Very high17 Ų1742.4 Ų42.418%0.17522%0.22CC..  trans95.9173-170.900000112.3G90 T91 C124G90-G93 PolarHBondContact O-N 3.1Å; G90-G93 VanDerWaalsContact O-N 3.13Å; T91-G93 PolarHBondContact O-N 3.43Å; G93-C124 VanDerWaalsContact CA-O 3.24Å; G93-C124 WeakPolarHBondContact CA-O 3.24Å
94R98Very high98.3Very high135 Ų13540.2 Ų40.251%0.50921%0.213SC..  trans-89.2126-171.9-176.9173.6178.3171.82.2112.1L88 A123 C124L88-R94 WeakPolarHBondContact O-CA 3.39Å; R94-A123 WeakPolarHBondContact O-CA 3.29Å; R94-C124 PolarHBondContact N-O 3.35Å
95E98Very high98.3Very high31 Ų3142.6 Ų42.615%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-113.2152.9174.8-164.7-173.9101.800110.8Y86 H87 L88 V119 K121 A123Y86-E95 WeakPolarHBondContact CE2-OE1 3.39Å; Y86-E95 PolarHBondContact OH-OE1 3.25Å; H87-E95 WeakPolarHBondContact CA-O 3.27Å; L88-E95 HydrophobicContact CB-CB 4.18Å; L88-E95 PolarHBondContact N-O 2.97Å; L88-E95 PolarHBondContact O-N 2.94Å; E95-V119 HydrophobicContact CG-CG1 3.79Å; E95-V119 WeakPolarHBondContact OE1-CG2 3.49Å; E95-K121 WeakPolarHBondContact CA-O 3.47Å; E95-K121 WeakPolarHBondContact CG-O 3.46Å; E95-A123 HydrophobicContact CB-CB 4.45Å
96S98.5Very high98.2Very high18 Ų1843.5 Ų43.513%0.12623%0.227CC..EExtended strand (participates in β ladder)trans-145.9150.516664.60000112Y86 H87 I120 K121Y86-S96 VanDerWaalsContact O-CA 3.28Å; Y86-S96 WeakPolarHBondContact O-CA 3.49Å; Y86-S96 WeakPolarHBondContact O-CB 3.39Å; H87-S96 WeakPolarHBondContact ND1-CB 3.47Å; S96-I120 PolarHBondContact O-N 3.49Å; S96-K121 PolarHBondContact N-O 3.44Å; S96-K121 PolarHBondContact O-N 2.9Å; S96-K121 WeakPolarHBondContact OG-CB 3.28Å
97G98.6Very high98.1Very high2 Ų252.3 Ų52.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-159.4-171.5178.100000113.2S85 Y86 N118S85-G97 VanDerWaalsContact CA-O 3.3Å; S85-G97 WeakPolarHBondContact CA-O 3.43Å; S85-G97 WeakPolarHBondContact CB-O 3.16Å; Y86-G97 VanDerWaalsContact CD1-C 3.5Å; Y86-G97 VanDerWaalsContact CE1-C 3.44Å; Y86-G97 PolarHBondContact N-O 3.21Å; Y86-G97 PolarHBondContact O-N 2.87Å; Y86-G97 VanDerWaalsContact O-N 3.11Å; G97-N118 WeakPolarHBondContact CA-O 3.45Å
98A98.8Very high97.9Very high30 Ų3052.8 Ų52.825%0.24829%0.286CS..EExtended strand (participates in β ladder)trans-117.8154.9173.300000109.6G84 F117 N118 I120G84-A98 WeakPolarHBondContact O-CA 3.48Å; A98-F117 CarbonylContact O-C 3.55Å; A98-F117 VanDerWaalsContact O-CA 3.25Å; A98-F117 WeakPolarHBondContact O-CA 3.47Å; A98-F117 WeakPolarHBondContact O-CB 3.26Å; A98-N118 PolarHBondContact N-O 3.13Å; A98-N118 VanDerWaalsContact N-O 3.08Å; A98-N118 PolarHBondContact O-N 3.44Å; A98-N118 PolarHBondContact O-OD1 3.26Å; A98-I120 HydrophobicContact CB-CD1 4.04Å
99Y98.8Very high97.9Very high14 Ų1454.9 Ų54.96%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-138.3159.3-178.973.2-90.1000112I68 E82 R83 G84 S85 Q101 C116I68-Y99 HydrophobicContact CG2-CE1 3.69Å; I68-Y99 WeakPolarHBondContact CG2-OH 3.41Å; E82-Y99 VanDerWaalsContact CD-OH 3.27Å; E82-Y99 HydrophobicContact CG-CE2 3.87Å; E82-Y99 PolarHBondContact OE1-OH 2.92Å; R83-Y99 WeakPolarHBondContact CA-O 3.41Å; G84-Y99 VanDerWaalsContact C-CD1 3.48Å; G84-Y99 VanDerWaalsContact CA-CE1 3.49Å; G84-Y99 PolarHBondContact N-O 2.92Å; G84-Y99 WeakPolarHBondContact O-CD1 3.35Å; G84-Y99 PolarHBondContact O-N 3.32Å; S85-Y99 WeakPolarHBondContact O-CE1 3.37Å; Y99-Q101 HydrophobicContact CD2-CB 4.38Å; Y99-Q101 HydrophobicContact CD2-CG 3.84Å; Y99-Q101 HydrophobicContact CE2-CB 4.47Å; Y99-Q101 HydrophobicContact CE2-CG 4.21Å; Y99-C116 CarbonylContact C-O 3.59Å; Y99-C116 VanDerWaalsContact CA-O 3.31Å; Y99-C116 WeakPolarHBondContact CA-O 3.33Å
100L98.8Very high97.9Very high79 Ų7952.1 Ų52.141%0.41428%0.283SS..EExtended strand (participates in β ladder)trans-132.1127.4166.9177.169.8000108.5E82 R83 C116E82-L100 WeakPolarHBondContact O-CA 3.21Å; E82-L100 WeakPolarHBondContact O-CD1 3.41Å; R83-L100 HydrophobicContact CB-CD1 4.27Å; L100-C116 PolarHBondContact N-O 3.3Å; L100-C116 PolarHBondContact O-N 3.2Å
101Q98.9Very high98Very high10 Ų1052.1 Ų52.15%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-122.8138.6177.1-77.5169.5-23.400110.6F81 E82 Y99 I112 N114 D115F81-Q101 CarbonylContact C-O 3.59Å; F81-Q101 VanDerWaalsContact CA-O 3.27Å; F81-Q101 WeakPolarHBondContact CA-O 2.99Å; E82-Q101 HydrophobicContact CB-CB 4.47Å; E82-Q101 PolarHBondContact N-O 3.41Å; E82-Q101 PolarHBondContact O-N 3.28Å; E82-Q101 PolarHBondContact OE2-OE1 3.5Å; Y99-Q101 HydrophobicContact CD2-CB 4.38Å; Y99-Q101 HydrophobicContact CD2-CG 3.84Å; Y99-Q101 HydrophobicContact CE2-CB 4.47Å; Y99-Q101 HydrophobicContact CE2-CG 4.21Å; Q101-I112 HydrophobicContact CB-CG2 4.46Å; Q101-I112 HydrophobicContact CG-CG2 4.14Å; Q101-N114 CarbonylContact C-O 3.51Å; Q101-N114 VanDerWaalsContact CA-O 3.31Å; Q101-N114 WeakPolarHBondContact CA-O 3.38Å; Q101-D115 HydrophobicContact CG-CB 3.86Å; Q101-D115 PolarHBondContact NE2-OD2 2.84Å
102I98.9Very high98Very high51 Ų5146.8 Ų46.826%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-104.8122.2167.5-53.3-57.7000107.4W79 A80 F81 H113 N114W79-I102 HydrophobicContact CE3-CG2 3.76Å; W79-I102 HydrophobicContact CZ3-CG2 3.88Å; A80-I102 CarbonylContact O-C 3.53Å; A80-I102 WeakPolarHBondContact O-CA 3.35Å; F81-I102 HydrophobicContact CB-CD1 3.75Å; I102-H113 PolarHBondContact O-N 3.47Å; I102-N114 HydrophobicContact CB-CB 4.02Å; I102-N114 HydrophobicContact CG1-CB 4.09Å; I102-N114 PolarHBondContact N-O 3.08Å; I102-N114 PolarHBondContact O-N 2.97Å; I102-N114 VanDerWaalsContact O-N 3.13Å
103W98.9Very high98.2Very high0 Ų044.7 Ų44.70%024%0.238CC..EExtended strand (participates in β ladder)trans-101.8140.6179.7-64.783.6000110.3V8 R11 Q12 W79 A80 E82 W110 L111 I112V8-W103 HydrophobicContact CG1-CD2 4.25Å; V8-W103 HydrophobicContact CG1-CZ2 3.86Å; V8-W103 HydrophobicContact CG2-CD2 4.48Å; V8-W103 HydrophobicContact CG2-CG 4.41Å; R11-W103 HydrophobicContact CB-CH2 3.61Å; R11-W103 HydrophobicContact CB-CZ3 3.55Å; R11-W103 HydrophobicContact CG-CZ3 4.07Å; Q12-W103 HydrophobicContact CG-CZ2 4.24Å; W79-W103 WeakPolarHBondContact CA-O 3.45Å; A80-W103 HydrophobicContact CB-CB 4.21Å; A80-W103 PolarHBondContact N-O 2.95Å; A80-W103 PolarHBondContact O-N 3.01Å; E82-W103 VanDerWaalsContact OE2-CE2 3.28Å; E82-W103 WeakPolarHBondContact OE2-CZ2 3.41Å; E82-W103 PolarHBondContact OE2-NE1 2.84Å; W103-W110 HydrophobicContact CB-CE3 3.76Å; W103-W110 HydrophobicContact CB-CZ3 4.17Å; W103-W110 HydrophobicContact CE3-CB 3.97Å; W103-W110 HydrophobicContact CZ3-CB 4.47Å; W103-L111 CarbonylContact C-O 3.58Å; W103-L111 WeakPolarHBondContact CA-O 3.27Å; W103-I112 HydrophobicContact CD2-CG1 3.98Å; W103-I112 HydrophobicContact CE3-CG1 3.77Å; W103-I112 HydrophobicContact CH2-CD1 3.73Å; W103-I112 HydrophobicContact CH2-CG1 3.33Å; W103-I112 HydrophobicContact CZ2-CD1 3.95Å; W103-I112 HydrophobicContact CZ2-CG1 3.52Å; W103-I112 HydrophobicContact CZ3-CD1 4.27Å; W103-I112 HydrophobicContact CZ3-CG1 3.46Å; W103-I112 VanDerWaalsContact CZ3-CG1 3.46Å
104K98.7Very high98.3Very high65 Ų6546.2 Ų46.228%0.28324%0.243SC..EExtended strand (participates in β ladder)trans-121.7134173.1-172.9-176.1175.1-170.50109.6D78 W79 V106 W110 L111 H113D78-K104 CarbonylContact O-C 3.48Å; D78-K104 VanDerWaalsContact O-CA 3.26Å; D78-K104 WeakPolarHBondContact O-CA 3.39Å; W79-K104 HydrophobicContact CE3-CB 4.08Å; W79-K104 HydrophobicContact CE3-CG 4.36Å; W79-K104 HydrophobicContact CH2-CB 4.18Å; W79-K104 HydrophobicContact CH2-CD 3.77Å; W79-K104 HydrophobicContact CH2-CG 3.99Å; W79-K104 HydrophobicContact CZ2-CD 4Å; W79-K104 HydrophobicContact CZ2-CG 4.12Å; W79-K104 HydrophobicContact CZ3-CB 3.82Å; W79-K104 HydrophobicContact CZ3-CD 4.27Å; W79-K104 HydrophobicContact CZ3-CG 4.11Å; K104-V106 HydrophobicContact CD-CG2 4.12Å; K104-V106 HydrophobicContact CG-CG2 4.15Å; K104-W110 VanDerWaalsContact C-CE3 3.45Å; K104-L111 PolarHBondContact N-O 3.36Å; K104-L111 PolarHBondContact O-N 3.31Å; K104-H113 HydrophobicContact CB-CB 3.97Å
105K98.4Very high98.3Very high54 Ų5440.1 Ų40.124%0.23522%0.22CC..EExtended strand (participates in β ladder)trans-85.5116.5173.8-152.9167.6-165.1158.50108.6E7 D78 G108 V109 W110E7-K105 IonicContact OE1-NZ 3.84Å; E7-K105 IonicContact OE2-NZ 3.16Å; E7-K105 PolarHBondContact OE2-NZ 3.2Å; E7-K105 VanDerWaalsContact OE2-NZ 3.16Å; D78-K105 HydrophobicContact CB-CB 4.12Å; D78-K105 PolarHBondContact O-N 2.89Å; K105-G108 WeakPolarHBondContact CE-O 3.32Å; K105-V109 CarbonylContact C-O 3.55Å; K105-V109 WeakPolarHBondContact CA-O 3.39Å; K105-W110 HydrophobicContact CB-CD2 4Å; K105-W110 HydrophobicContact CB-CE3 3.81Å; K105-W110 HydrophobicContact CB-CH2 3.95Å; K105-W110 HydrophobicContact CB-CZ2 4.13Å; K105-W110 HydrophobicContact CB-CZ3 3.79Å; K105-W110 HydrophobicContact CD-CD2 4.31Å; K105-W110 HydrophobicContact CD-CH2 4.47Å; K105-W110 HydrophobicContact CD-CZ2 3.85Å; K105-W110 HydrophobicContact CG-CD2 4.08Å; K105-W110 HydrophobicContact CG-CE3 4.4Å; K105-W110 HydrophobicContact CG-CG 4.47Å; K105-W110 HydrophobicContact CG-CZ2 4.35Å
106V97.5Very high98.3Very high45 Ų4540.8 Ų40.827%0.27323%0.228SC..EExtended strand (participates in β ladder)trans-120119.3177.8-178.20000107.3K104 G108 V109 L111K104-V106 HydrophobicContact CD-CG2 4.12Å; K104-V106 HydrophobicContact CG-CG2 4.15Å; V106-G108 PolarHBondContact O-N 3.22Å; V106-G108 VanDerWaalsContact O-N 3.12Å; V106-V109 PolarHBondContact N-O 2.76Å; V106-V109 PolarHBondContact O-N 2.93Å; V106-L111 HydrophobicContact CB-CD1 4.14Å; V106-L111 HydrophobicContact CG2-CD1 4.3Å
107E95.2Very high98.3Very high196 Ų19641.4 Ų41.492%0.91623%0.228SC*.THydrogen-bonded Turntrans52.437.9179.9-59.7179.8175.300113.1V109E107-V109 VanDerWaalsContact C-N 3.29Å; E107-V109 PolarHBondContact O-N 3.34Å
108G95.9Very high98.3Very high56 Ų5645 Ų4558%0.57725%0.247SC*.THydrogen-bonded Turntrans83.4-4.7179.900000115.2K105 V106K105-G108 WeakPolarHBondContact CE-O 3.32Å; V106-G108 PolarHBondContact O-N 3.22Å; V106-G108 VanDerWaalsContact O-N 3.12Å
109V97.5Very high98.3Very high67 Ų6745 Ų4541%0.40624%0.244SC..EExtended strand (participates in β ladder)trans-106131.9179.9-175.80000110.4K105 V106 E107 L111K105-V109 CarbonylContact C-O 3.55Å; K105-V109 WeakPolarHBondContact CA-O 3.39Å; V106-V109 PolarHBondContact N-O 2.76Å; V106-V109 PolarHBondContact O-N 2.93Å; E107-V109 VanDerWaalsContact C-N 3.29Å; E107-V109 PolarHBondContact O-N 3.34Å; V109-L111 HydrophobicContact CG1-CD2 4.18Å
110W98.8Very high98.3Very high13 Ų1349.7 Ų49.75%0.04927%0.268CS..EExtended strand (participates in β ladder)trans-77.5127172.4-72.5109.9000111.1L4 E7 R11 D78 A80 W103 K104 K105L4-W110 HydrophobicContact CD1-CH2 4.19Å; L4-W110 HydrophobicContact CD1-CZ2 3.46Å; L4-W110 VanDerWaalsContact CD1-CZ2 3.46Å; E7-W110 PolarHBondContact OE2-NE1 2.93Å; R11-W110 HydrophobicContact CG-CB 4.04Å; R11-W110 PolarHBondContact NE-O 3.29Å; D78-W110 WeakPolarHBondContact O-CZ3 3.43Å; A80-W110 HydrophobicContact CB-CH2 4.01Å; A80-W110 HydrophobicContact CB-CZ3 4.03Å; W103-W110 HydrophobicContact CB-CE3 3.76Å; W103-W110 HydrophobicContact CB-CZ3 4.17Å; W103-W110 HydrophobicContact CE3-CB 3.97Å; W103-W110 HydrophobicContact CZ3-CB 4.47Å; K104-W110 VanDerWaalsContact C-CE3 3.45Å; K105-W110 HydrophobicContact CB-CD2 4Å; K105-W110 HydrophobicContact CB-CE3 3.81Å; K105-W110 HydrophobicContact CB-CH2 3.95Å; K105-W110 HydrophobicContact CB-CZ2 4.13Å; K105-W110 HydrophobicContact CB-CZ3 3.79Å; K105-W110 HydrophobicContact CD-CD2 4.31Å; K105-W110 HydrophobicContact CD-CH2 4.47Å; K105-W110 HydrophobicContact CD-CZ2 3.85Å; K105-W110 HydrophobicContact CG-CD2 4.08Å; K105-W110 HydrophobicContact CG-CE3 4.4Å; K105-W110 HydrophobicContact CG-CG 4.47Å; K105-W110 HydrophobicContact CG-CZ2 4.35Å
111L98.9Very high98.2Very high16 Ų1652.7 Ų52.78%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-126.2143.7176.5-59.5177.4000110.4V30 D32 W103 K104 V106 V109 H113V30-L111 CarbonylContact O-C 3.57Å; V30-L111 VanDerWaalsContact O-CA 3.23Å; V30-L111 WeakPolarHBondContact O-CA 3.36Å; D32-L111 HydrophobicContact CB-CB 4.13Å; W103-L111 CarbonylContact C-O 3.58Å; W103-L111 WeakPolarHBondContact CA-O 3.27Å; K104-L111 PolarHBondContact N-O 3.36Å; K104-L111 PolarHBondContact O-N 3.31Å; V106-L111 HydrophobicContact CB-CD1 4.14Å; V106-L111 HydrophobicContact CG2-CD1 4.3Å; V109-L111 HydrophobicContact CG1-CD2 4.18Å; L111-H113 PolarHBondContact O-N 3.4Å
112I98.9Very high98.1Very high0 Ų057.8 Ų57.80%031%0.306CS..EExtended strand (participates in β ladder)trans-72.5118175.2-59.4165.1000108.3V30 Y31 D32 Q101 W103 D115V30-I112 HydrophobicContact CG2-CD1 3.89Å; V30-I112 PolarHBondContact O-N 2.96Å; Y31-I112 WeakPolarHBondContact CA-O 3.38Å; Y31-I112 HydrophobicContact CD1-CB 3.65Å; Y31-I112 HydrophobicContact CD1-CD1 4.47Å; Y31-I112 HydrophobicContact CD1-CG2 3.67Å; Y31-I112 HydrophobicContact CD2-CD1 4.37Å; Y31-I112 HydrophobicContact CE1-CB 3.89Å; Y31-I112 HydrophobicContact CE1-CD1 4.12Å; Y31-I112 HydrophobicContact CE1-CG2 3.53Å; Y31-I112 HydrophobicContact CE2-CD1 3.96Å; Y31-I112 HydrophobicContact CG-CB 4.12Å; D32-I112 WeakPolarHBondContact CB-O 3.48Å; D32-I112 PolarHBondContact N-O 3.22Å; Q101-I112 HydrophobicContact CB-CG2 4.46Å; Q101-I112 HydrophobicContact CG-CG2 4.14Å; W103-I112 HydrophobicContact CD2-CG1 3.98Å; W103-I112 HydrophobicContact CE3-CG1 3.77Å; W103-I112 HydrophobicContact CH2-CD1 3.73Å; W103-I112 HydrophobicContact CH2-CG1 3.33Å; W103-I112 HydrophobicContact CZ2-CD1 3.95Å; W103-I112 HydrophobicContact CZ2-CG1 3.52Å; W103-I112 HydrophobicContact CZ3-CD1 4.27Å; W103-I112 HydrophobicContact CZ3-CG1 3.46Å; W103-I112 VanDerWaalsContact CZ3-CG1 3.46Å; I112-D115 HydrophobicContact CG2-CB 3.75Å
113H98.8Very high97.8Very high39 Ų3957 Ų5718%0.18131%0.307CS..EExtended strand (participates in β ladder)trans-100-40.5-179.1-173.164.6000112.4D32 G35 Y36 W79 I102 K104 L111D32-H113 HydrophobicContact CB-CB 4.32Å; D32-H113 IonicContact OD1-ND1 3.93Å; D32-H113 IonicContact OD2-ND1 3.55Å; G35-H113 CarbonylContact C-O 3.59Å; G35-H113 WeakPolarHBondContact CA-O 3.14Å; Y36-H113 PolarHBondContact N-O 3.28Å; W79-H113 AromaticContact CH2-CD2 3.67Å; W79-H113 HydrophobicContact CZ3-CB 4.24Å; W79-H113 AromaticContact CZ3-CD2 3.67Å; I102-H113 PolarHBondContact O-N 3.47Å; K104-H113 HydrophobicContact CB-CB 3.97Å; L111-H113 PolarHBondContact O-N 3.4Å
114N98.8Very high97.2Very high50 Ų5064.4 Ų64.427%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-128.6141.9167.5-61.9-83.8000109.4Y36 M38 Q101 I102Y36-N114 WeakPolarHBondContact CB-OD1 3.26Å; Y36-N114 WeakPolarHBondContact O-CA 3.42Å; M38-N114 HydrophobicContact CE-CB 4.29Å; Q101-N114 CarbonylContact C-O 3.51Å; Q101-N114 VanDerWaalsContact CA-O 3.31Å; Q101-N114 WeakPolarHBondContact CA-O 3.38Å; I102-N114 HydrophobicContact CB-CB 4.02Å; I102-N114 HydrophobicContact CG1-CB 4.09Å; I102-N114 PolarHBondContact N-O 3.08Å; I102-N114 PolarHBondContact O-N 2.97Å; I102-N114 VanDerWaalsContact O-N 3.13Å
115D98.9Very high97.2Very high7 Ų764.4 Ų64.44%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-143.1125.6177176.9-21000109.2Y31 Y36 F37 M38 Q101 I112Y31-D115 HydrophobicContact CE1-CB 4.01Å; Y31-D115 PolarHBondContact OH-OD2 2.74Å; Y36-D115 PolarHBondContact O-N 3.41Å; F37-D115 CarbonylContact C-O 3.54Å; F37-D115 HydrophobicContact CD2-CB 3.77Å; F37-D115 HydrophobicContact CE2-CB 4.35Å; M38-D115 WeakPolarHBondContact CB-O 3.47Å; M38-D115 PolarHBondContact N-O 3.13Å; Q101-D115 HydrophobicContact CG-CB 3.86Å; Q101-D115 PolarHBondContact NE2-OD2 2.84Å; I112-D115 HydrophobicContact CG2-CB 3.75Å
116C98.7Very high97.1Very high45 Ų4564.9 Ų64.930%0.30437%0.367SS..EExtended strand (participates in β ladder)trans-129.6150.4164.662.20000110.7M38 Y99 L100M38-C116 HydrophobicContact CB-CB 3.86Å; M38-C116 HydrophobicContact CE-CB 3.9Å; M38-C116 HydrophobicContact SD-CB 4.46Å; Y99-C116 CarbonylContact C-O 3.59Å; Y99-C116 VanDerWaalsContact CA-O 3.31Å; Y99-C116 WeakPolarHBondContact CA-O 3.33Å; L100-C116 PolarHBondContact N-O 3.3Å; L100-C116 PolarHBondContact O-N 3.2Å
117F98.6Very high97.1Very high31 Ų3166.1 Ų66.114%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-140.8156.2172.470-90.9000111.1F37 P39 N40 Y86 A98 V119F37-F117 HydrophobicContact CE1-CE1 4.42Å; F37-F117 AromaticContact CE2-CD1 3.96Å; F37-F117 HydrophobicContact CE2-CD1 3.96Å; F37-F117 AromaticContact CE2-CE1 3.84Å; F37-F117 HydrophobicContact CE2-CE1 3.84Å; F37-F117 HydrophobicContact CZ-CD1 4.12Å; F37-F117 AromaticContact CZ-CE1 3.51Å; F37-F117 HydrophobicContact CZ-CE1 3.51Å; P39-F117 VanDerWaalsContact CA-CE1 3.42Å; P39-F117 HydrophobicContact CB-CE1 3.76Å; P39-F117 HydrophobicContact CB-CZ 3.93Å; N40-F117 HydrophobicContact CB-CD2 3.86Å; N40-F117 HydrophobicContact CB-CE2 3.51Å; N40-F117 HydrophobicContact CB-CZ 4.14Å; Y86-F117 HydrophobicContact CD1-CB 4.41Å; Y86-F117 HydrophobicContact CE1-CB 3.87Å; Y86-F117 AromaticContact CE1-CD2 3.7Å; Y86-F117 HydrophobicContact CE1-CD2 3.7Å; Y86-F117 HydrophobicContact CE1-CG 4.08Å; Y86-F117 AromaticContact CZ-CD2 3.69Å; Y86-F117 VanDerWaalsContact OH-CD2 3.27Å; Y86-F117 WeakPolarHBondContact OH-CD2 3.32Å; A98-F117 CarbonylContact O-C 3.55Å; A98-F117 VanDerWaalsContact O-CA 3.25Å; A98-F117 WeakPolarHBondContact O-CA 3.47Å; A98-F117 WeakPolarHBondContact O-CB 3.26Å; F117-V119 HydrophobicContact CE2-CG2 4.2Å
118N98.2Very high97.2Very high78 Ų7858.4 Ų58.442%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-122.5137.5172.668.2-75.7000109.9G97 A98G97-N118 WeakPolarHBondContact CA-O 3.45Å; A98-N118 PolarHBondContact N-O 3.13Å; A98-N118 VanDerWaalsContact N-O 3.08Å; A98-N118 PolarHBondContact O-N 3.44Å; A98-N118 PolarHBondContact O-OD1 3.26Å
119V98.2Very high97.3Very high29 Ų2958.6 Ų58.618%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-79.9126.5176.5-1790000109.1N40 Y86 E95 F117 K121 N122N40-V119 HydrophobicContact CB-CG2 3.8Å; N40-V119 WeakPolarHBondContact ND2-CG2 3.21Å; N40-V119 PolarHBondContact OD1-N 3.01Å; Y86-V119 WeakPolarHBondContact OH-CG2 3.27Å; E95-V119 HydrophobicContact CG-CG1 3.79Å; E95-V119 WeakPolarHBondContact OE1-CG2 3.49Å; F117-V119 HydrophobicContact CE2-CG2 4.2Å; V119-K121 WeakPolarHBondContact CG1-O 3.37Å; V119-N122 VanDerWaalsContact CG1-OD1 3.27Å; V119-N122 WeakPolarHBondContact CG1-OD1 3.25Å
120I98.1Very high97.3Very high112 Ų11258 Ų5857%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-99.6-39.9175.9-65.6172.7000110.5S96 A98S96-I120 PolarHBondContact O-N 3.49Å; A98-I120 HydrophobicContact CB-CD1 4.04Å
121K97.8Very high97.1Very high143 Ų14361.2 Ų61.262%0.62234%0.34SS*.EExtended strand (participates in β ladder)trans-128118.4171.5-60.5-177.7-179.8178.10108.1E95 S96 V119E95-K121 WeakPolarHBondContact CA-O 3.47Å; E95-K121 WeakPolarHBondContact CG-O 3.46Å; S96-K121 PolarHBondContact N-O 3.44Å; S96-K121 PolarHBondContact O-N 2.9Å; S96-K121 WeakPolarHBondContact OG-CB 3.28Å; V119-K121 WeakPolarHBondContact CG1-O 3.37Å
122N95.9Very high97Very high117 Ų11764.7 Ų64.763%0.62636%0.36SS*.  trans-66158175-61.4-55.7000110.8V119 C124V119-N122 VanDerWaalsContact CG1-OD1 3.27Å; V119-N122 WeakPolarHBondContact CG1-OD1 3.25Å; N122-C124 PolarHBondContact O-N 2.98Å
123A93.8Very high96.9Very high35 Ų3570.1 Ų70.129%0.28939%0.39SS..  trans-52.9126.1170.700000111.3K92 R94 E95K92-A123 HydrophobicContact CG-CB 4.17Å; K92-A123 WeakPolarHBondContact O-CB 3.43Å; R94-A123 WeakPolarHBondContact O-CA 3.29Å; E95-A123 HydrophobicContact CB-CB 4.45Å
124C86.6Confident96.7Very high155 Ų15572.9 Ų72.9100%1.04741%0.409SS*.  trans-135.50176.767.40000111.5G93 R94 N122G93-C124 VanDerWaalsContact CA-O 3.24Å; G93-C124 WeakPolarHBondContact CA-O 3.24Å; R94-C124 PolarHBondContact N-O 3.35Å; N122-C124 PolarHBondContact O-N 2.98Å

Retrieved 124 of 124 residues in 178.7 ms (Link to these results)

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