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DNA ligase

DNA ligase that catalyzes the formation of phosphodiester linkages between 5'-phosphoryl and 3'-hydroxyl groups in double-stranded DNA using NAD as a coenzyme and as the energy source for the reaction. It is essential for DNA replication and repair of damaged DNA.

AlphaFold DB , UniProt , Accession Q2G1Y0, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ligA, Length 667 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
1M53.4Low85.1Confident194 Ų19476.5 Ų76.596%0.95643%0.429SS*.  0-57.10-70.7-159.5-81.400112.1D3 L4 S5M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.8Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-S5 PolarHBondContact O-N 3.35Å
2A62.2Low85.6Confident91 Ų9171.2 Ų71.275%0.75240%0.398SS*.Hα-helixtrans-59.4-37.9177.700000114S6A2-S6 PolarHBondContact O-N 3.34Å
3D83.8Confident86Confident140 Ų14074.5 Ų74.575%0.74942%0.415SS*.Hα-helixtrans-67-43.9180-167.838.1000112.9M1 S6 R7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.8Å; D3-S6 PolarHBondContact O-N 2.94Å; D3-R7 PolarHBondContact O-N 3.35Å
4L89.9Confident86.5Confident47 Ų4772 Ų7225%0.24640%0.4CS..Hα-helixtrans-69.2-42.7-177.7-162.669.2000112.1M1 S6 R7 V8 I45 H49 Y52M1-L4 PolarHBondContact O-N 3.16Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 2.55Å; L4-R7 PolarHBondContact O-N 2.93Å; L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 3.35Å; L4-I45 HydrophobicContact CD1-CD1 4.19Å; L4-I45 HydrophobicContact CD1-CG1 4.16Å; L4-I45 HydrophobicContact CD1-CG2 4.01Å; L4-I45 HydrophobicContact CD2-CG2 4.12Å; L4-I45 HydrophobicContact CG-CG2 3.97Å; L4-H49 WeakPolarHBondContact CD2-CD2 3.4Å; L4-Y52 HydrophobicContact CB-CE2 4.48Å; L4-Y52 HydrophobicContact CD2-CD2 4.16Å; L4-Y52 HydrophobicContact CD2-CE2 3.7Å; L4-Y52 HydrophobicContact CG-CE2 4.22Å
5S88.7Confident86.9Confident45 Ų4567.2 Ų67.232%0.31537%0.373SS..Hα-helixtrans-62.4-38.5174.71800000112M1 R7 V8 N9M1-S5 PolarHBondContact O-N 3.35Å; S5-R7 VanDerWaalsContact C-N 3.34Å; S5-V8 PolarHBondContact O-N 3.18Å; S5-N9 PolarHBondContact O-N 2.96Å; S5-N9 VanDerWaalsContact O-N 3.11Å; S5-N9 PolarHBondContact O-ND2 2.74Å
6S90.9Very high87Confident75 Ų7566.4 Ų66.452%0.52437%0.368SS..Hα-helixtrans-64-40.9174.3-167.40000111.5A2 D3 L4 N9 E10A2-S6 PolarHBondContact O-N 3.34Å; D3-S6 PolarHBondContact O-N 2.94Å; L4-S6 VanDerWaalsContact C-N 3.31Å; L4-S6 PolarHBondContact O-N 2.55Å; S6-N9 PolarHBondContact O-N 3.2Å; S6-E10 PolarHBondContact O-N 2.92Å
7R93.7Very high87.1Confident62 Ų6268.2 Ų68.223%0.23437%0.373CS..Hα-helixtrans-66.2-40177.5-175.856.5176.4166.96.2112.3D3 L4 S5 E10 L11 E41 I45D3-R7 PolarHBondContact O-N 3.35Å; L4-R7 PolarHBondContact O-N 2.93Å; S5-R7 VanDerWaalsContact C-N 3.34Å; R7-E10 WeakPolarHBondContact CD-OE2 3.31Å; R7-E10 IonicContact CZ-OE2 3.91Å; R7-E10 IonicContact NH1-OE1 3.09Å; R7-E10 PolarHBondContact NH1-OE1 3.35Å; R7-E10 IonicContact NH1-OE2 3.67Å; R7-E10 PolarHBondContact NH1-OE2 3.33Å; R7-E10 PolarHBondContact O-N 3.01Å; R7-L11 HydrophobicContact CG-CD1 4.06Å; R7-L11 HydrophobicContact CG-CG 4.42Å; R7-L11 WeakPolarHBondContact O-CB 2.93Å; R7-L11 VanDerWaalsContact O-CG 3.25Å; R7-L11 WeakPolarHBondContact O-CG 3.09Å; R7-L11 PolarHBondContact O-N 3.49Å; R7-E41 IonicContact CZ-OE1 3.86Å; R7-E41 IonicContact CZ-OE2 3.16Å; R7-E41 IonicContact NE-OE1 2.83Å; R7-E41 PolarHBondContact NE-OE1 3.31Å; R7-E41 IonicContact NE-OE2 3.43Å; R7-E41 VanDerWaalsContact NH2-CD 3.35Å; R7-E41 IonicContact NH2-OE1 3.34Å; R7-E41 PolarHBondContact NH2-OE1 2.77Å; R7-E41 VanDerWaalsContact NH2-OE1 3.16Å; R7-E41 IonicContact NH2-OE2 3.79Å; R7-E41 PolarHBondContact NH2-OE2 2.88Å; R7-I45 HydrophobicContact CG-CD1 4.3Å
8V93.1Very high87.3Confident4 Ų466.6 Ų66.62%0.02436%0.361CS..Hα-helixtrans-60.4-47.3174.9170.70000110.8L4 S5 E10 L11 H12 L42 I45 Y52L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 3.35Å; S5-V8 PolarHBondContact O-N 3.18Å; V8-E10 PolarHBondContact O-N 3.31Å; V8-L11 PolarHBondContact O-N 3.49Å; V8-H12 WeakPolarHBondContact CG1-NE2 3.41Å; V8-H12 PolarHBondContact O-CD2 3.18Å; V8-H12 PolarHBondContact O-N 2.91Å; V8-L42 HydrophobicContact CG1-CD1 4.12Å; V8-L42 HydrophobicContact CG2-CD1 4.46Å; V8-I45 HydrophobicContact CG2-CG2 3.54Å; V8-Y52 HydrophobicContact CG2-CG 4.29Å
9N91.8Very high87.1Confident91 Ų9163.3 Ų63.349%0.48734%0.343SS..Hα-helixtrans-62-42.2177.5-69.5-22.4000112.1S5 S6 H12 D13S5-N9 PolarHBondContact O-N 2.96Å; S5-N9 VanDerWaalsContact O-N 3.11Å; S5-N9 PolarHBondContact O-ND2 2.74Å; S6-N9 PolarHBondContact O-N 3.2Å; N9-H12 WeakPolarHBondContact O-CB 3.21Å; N9-H12 PolarHBondContact O-N 3.24Å; N9-D13 PolarHBondContact O-N 2.97Å
10E93.5Very high86.8Confident92 Ų9263 Ų6343%0.4334%0.337SS..Hα-helixtrans-61.6-44.1175.1-173.2-169.1-177.100111.8S6 R7 V8 H12 D13 L14S6-E10 PolarHBondContact O-N 2.92Å; R7-E10 WeakPolarHBondContact CD-OE2 3.31Å; R7-E10 IonicContact CZ-OE2 3.91Å; R7-E10 IonicContact NH1-OE1 3.09Å; R7-E10 PolarHBondContact NH1-OE1 3.35Å; R7-E10 IonicContact NH1-OE2 3.67Å; R7-E10 PolarHBondContact NH1-OE2 3.33Å; R7-E10 PolarHBondContact O-N 3.01Å; V8-E10 PolarHBondContact O-N 3.31Å; E10-H12 VanDerWaalsContact C-N 3.33Å; E10-H12 PolarHBondContact O-N 3.12Å; E10-D13 PolarHBondContact O-N 3.32Å; E10-L14 HydrophobicContact CG-CD1 4.02Å; E10-L14 HydrophobicContact CG-CG 4.47Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 VanDerWaalsContact O-CG 3.31Å; E10-L14 WeakPolarHBondContact O-CG 3.25Å; E10-L14 PolarHBondContact O-N 3.06Å
11L94.7Very high86.8Confident0 Ų061.1 Ų61.10%033%0.326CS..Hα-helixtrans-63.1-39.9176.1-72.9169.2000111.4R7 V8 L15 L38 E41 L42 I45R7-L11 HydrophobicContact CG-CD1 4.06Å; R7-L11 HydrophobicContact CG-CG 4.42Å; R7-L11 WeakPolarHBondContact O-CB 2.93Å; R7-L11 VanDerWaalsContact O-CG 3.25Å; R7-L11 WeakPolarHBondContact O-CG 3.09Å; R7-L11 PolarHBondContact O-N 3.49Å; V8-L11 PolarHBondContact O-N 3.49Å; L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.4Å; L11-L38 HydrophobicContact CD2-CB 3.9Å; L11-L38 HydrophobicContact CD2-CD2 3.78Å; L11-L38 HydrophobicContact CD2-CG 4.35Å; L11-E41 HydrophobicContact CD1-CB 4.44Å; L11-E41 HydrophobicContact CD1-CG 4.08Å; L11-L42 HydrophobicContact CB-CB 4.42Å; L11-L42 HydrophobicContact CB-CD1 4.24Å; L11-L42 HydrophobicContact CD1-CB 4.08Å; L11-L42 HydrophobicContact CD1-CD1 4.24Å; L11-I45 HydrophobicContact CD1-CD1 3.78Å
12H91.9Very high88Confident13 Ų1355.8 Ų55.86%0.0630%0.296CS..Hα-helixtrans-60-50.1174.4-75.4-158.1000111V8 N9 E10 N16 E46 T54V8-H12 WeakPolarHBondContact CG1-NE2 3.41Å; V8-H12 PolarHBondContact O-CD2 3.18Å; V8-H12 PolarHBondContact O-N 2.91Å; N9-H12 WeakPolarHBondContact O-CB 3.21Å; N9-H12 PolarHBondContact O-N 3.24Å; E10-H12 VanDerWaalsContact C-N 3.33Å; E10-H12 PolarHBondContact O-N 3.12Å; H12-N16 WeakPolarHBondContact O-CB 3.44Å; H12-N16 VanDerWaalsContact O-CG 3.26Å; H12-N16 PolarHBondContact O-N 3.34Å; H12-N16 PolarHBondContact O-ND2 2.7Å; H12-E46 IonicContact NE2-OE1 3.89Å; H12-T54 PolarHBondContact CE1-OG1 3.25Å; H12-T54 VanDerWaalsContact CE1-OG1 3.32Å
13D91Very high88.7Confident115 Ų11555.2 Ų55.262%0.61528%0.275SS*.Hα-helixtrans-61.8-49.1-178.7-71-18.5000111.4N9 E10 N16 Q17N9-D13 PolarHBondContact O-N 2.97Å; E10-D13 PolarHBondContact O-N 3.32Å; D13-N16 PolarHBondContact O-N 3.44Å; D13-Q17 VanDerWaalsContact O-CB 3.27Å; D13-Q17 WeakPolarHBondContact O-CB 3.28Å; D13-Q17 PolarHBondContact O-N 2.88Å
14L93.2Very high88.1Confident39 Ų3949.9 Ų49.920%0.20425%0.247CC..Hα-helixtrans-63.7-48.6-179.8-70.5174.4000112.3E10 N16 Q17 Y18 L38E10-L14 HydrophobicContact CG-CD1 4.02Å; E10-L14 HydrophobicContact CG-CG 4.47Å; E10-L14 WeakPolarHBondContact O-CB 3.42Å; E10-L14 VanDerWaalsContact O-CG 3.31Å; E10-L14 WeakPolarHBondContact O-CG 3.25Å; E10-L14 PolarHBondContact O-N 3.06Å; L14-N16 PolarHBondContact O-N 3.45Å; L14-Q17 PolarHBondContact O-N 3.25Å; L14-Y18 HydrophobicContact CB-CD2 4.49Å; L14-Y18 HydrophobicContact CB-CE2 4.06Å; L14-Y18 HydrophobicContact CD2-CE2 4.47Å; L14-Y18 WeakPolarHBondContact O-CB 3.4Å; L14-Y18 WeakPolarHBondContact O-CD2 3.4Å; L14-Y18 PolarHBondContact O-N 3.16Å; L14-L38 HydrophobicContact CB-CD1 4.38Å; L14-L38 HydrophobicContact CD1-CD1 4.27Å
15L92.4Very high87.6Confident0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-65.7-39.3-179.2-71.3168.2000111.4L11 S19 Y35 L38 L39 L42 P58L11-L15 WeakPolarHBondContact O-CB 3.48Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.4Å; L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 3.44Å; L15-Y35 HydrophobicContact CB-CE2 4.2Å; L15-Y35 HydrophobicContact CD2-CD1 4.43Å; L15-Y35 HydrophobicContact CD2-CD2 3.67Å; L15-Y35 HydrophobicContact CD2-CE1 4.33Å; L15-Y35 HydrophobicContact CD2-CE2 3.57Å; L15-Y35 HydrophobicContact CD2-CG 4.11Å; L15-Y35 WeakPolarHBondContact O-CE2 3.42Å; L15-L38 HydrophobicContact CD2-CB 3.88Å; L15-L38 HydrophobicContact CG-CB 4.3Å; L15-L39 HydrophobicContact CD1-CB 4.39Å; L15-L39 HydrophobicContact CD1-CD1 4.14Å; L15-L39 HydrophobicContact CD2-CB 4.08Å; L15-L42 HydrophobicContact CD1-CB 4.23Å; L15-L42 HydrophobicContact CD1-CD2 3.73Å; L15-P58 HydrophobicContact CB-CB 3.99Å; L15-P58 HydrophobicContact CB-CG 3.74Å; L15-P58 HydrophobicContact CD1-CB 3.97Å; L15-P58 HydrophobicContact CD1-CG 4.03Å
16N87.9Confident87Confident54 Ų5457.3 Ų57.329%0.28928%0.281SS..Hα-helixtrans-67-41.5175.6-75.8-40.8000111.7H12 D13 L14 S19 Y20H12-N16 WeakPolarHBondContact O-CB 3.44Å; H12-N16 VanDerWaalsContact O-CG 3.26Å; H12-N16 PolarHBondContact O-N 3.34Å; H12-N16 PolarHBondContact O-ND2 2.7Å; D13-N16 PolarHBondContact O-N 3.44Å; L14-N16 PolarHBondContact O-N 3.45Å; N16-S19 PolarHBondContact O-N 3.32Å; N16-Y20 WeakPolarHBondContact O-CB 3.39Å; N16-Y20 PolarHBondContact O-N 3.06Å
17Q89.2Confident86.5Confident98 Ų9859.1 Ų59.146%0.45829%0.285SS..Hα-helixtrans-59.7-53.9174.5179.3-176.6-16.700111.2D13 L14 S19 Y20 E21D13-Q17 VanDerWaalsContact O-CB 3.27Å; D13-Q17 WeakPolarHBondContact O-CB 3.28Å; D13-Q17 PolarHBondContact O-N 2.88Å; L14-Q17 PolarHBondContact O-N 3.25Å; Q17-S19 VanDerWaalsContact C-N 3.31Å; Q17-S19 PolarHBondContact O-N 3.45Å; Q17-Y20 WeakPolarHBondContact O-CB 3.33Å; Q17-Y20 PolarHBondContact O-N 3.08Å; Q17-E21 HydrophobicContact CG-CG 4.47Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.41Å; Q17-E21 PolarHBondContact NE2-OE1 3.04Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å
18Y89.7Confident85.9Confident38 Ų3859 Ų5915%0.14929%0.292CS..Hα-helixtrans-63.1-37.7-179.2-61.7-26.3000112.3L14 Y20 Y22 S29 V30 Y35 L38L14-Y18 HydrophobicContact CB-CD2 4.49Å; L14-Y18 HydrophobicContact CB-CE2 4.06Å; L14-Y18 HydrophobicContact CD2-CE2 4.47Å; L14-Y18 WeakPolarHBondContact O-CB 3.4Å; L14-Y18 WeakPolarHBondContact O-CD2 3.4Å; L14-Y18 PolarHBondContact O-N 3.16Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y18-Y22 VanDerWaalsContact O-CB 3.31Å; Y18-Y22 WeakPolarHBondContact O-CB 3.27Å; Y18-Y22 PolarHBondContact O-N 2.9Å; Y18-S29 WeakPolarHBondContact CE1-OG 3.46Å; Y18-V30 HydrophobicContact CD1-CG1 4.27Å; Y18-V30 HydrophobicContact CD1-CG2 3.71Å; Y18-V30 HydrophobicContact CD2-CG2 3.58Å; Y18-V30 HydrophobicContact CE1-CB 4.46Å; Y18-V30 HydrophobicContact CE1-CG1 3.66Å; Y18-V30 HydrophobicContact CE1-CG2 3.94Å; Y18-V30 HydrophobicContact CE2-CG1 4.12Å; Y18-V30 HydrophobicContact CE2-CG2 3.81Å; Y18-V30 HydrophobicContact CG-CG2 3.53Å; Y18-Y35 HydrophobicContact CD2-CD2 4.48Å; Y18-L38 HydrophobicContact CD2-CD1 4.38Å; Y18-L38 HydrophobicContact CE2-CD1 3.76Å
19S83.6Confident85.7Confident4 Ų462.2 Ų62.23%0.02832%0.315CS..Hα-helixtrans-64-40173.1-175.20000111.2L15 N16 Q17 Y23 H150L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 3.44Å; N16-S19 PolarHBondContact O-N 3.32Å; Q17-S19 VanDerWaalsContact C-N 3.31Å; Q17-S19 PolarHBondContact O-N 3.45Å; S19-Y23 WeakPolarHBondContact O-CB 3.31Å; S19-Y23 VanDerWaalsContact O-CD2 3.24Å; S19-Y23 WeakPolarHBondContact O-CD2 3.43Å; S19-Y23 PolarHBondContact O-N 3Å; S19-Y23 WeakPolarHBondContact OG-CD2 3.14Å; S19-H150 PolarHBondContact OG-ND1 3.43Å
20Y81.8Confident85.5Confident58 Ų5859.4 Ų59.423%0.22730%0.301CS..Hα-helixtrans-64.9-49.9176.7-176.6-98.5000111.6N16 Q17 Y18 Y22 V24 E25N16-Y20 WeakPolarHBondContact O-CB 3.39Å; N16-Y20 PolarHBondContact O-N 3.06Å; Q17-Y20 WeakPolarHBondContact O-CB 3.33Å; Q17-Y20 PolarHBondContact O-N 3.08Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-Y22 VanDerWaalsContact C-N 3.29Å; Y20-Y22 PolarHBondContact O-N 3.31Å; Y20-V24 HydrophobicContact CD2-CB 3.77Å; Y20-V24 HydrophobicContact CD2-CG1 4.11Å; Y20-V24 HydrophobicContact CD2-CG2 3.58Å; Y20-V24 HydrophobicContact CE2-CB 3.76Å; Y20-V24 HydrophobicContact CE2-CG1 3.57Å; Y20-V24 HydrophobicContact CE2-CG2 3.91Å; Y20-V24 HydrophobicContact CG-CB 4.24Å; Y20-V24 HydrophobicContact CG-CG2 4.28Å; Y20-V24 WeakPolarHBondContact O-CA 3.45Å; Y20-V24 WeakPolarHBondContact O-CB 3.2Å; Y20-V24 PolarHBondContact O-N 3.01Å; Y20-E25 HydrophobicContact CD1-CG 3.96Å; Y20-E25 HydrophobicContact CE1-CG 3.64Å; Y20-E25 VanDerWaalsContact CE1-OE1 3.32Å; Y20-E25 WeakPolarHBondContact CE1-OE1 3.41Å; Y20-E25 PolarHBondContact O-N 2.87Å; Y20-E25 VanDerWaalsContact O-N 3.13Å
21E86Confident85Confident23 Ų2359 Ų5911%0.10731%0.306CS..Hα-helixtrans-57.1-41.8177.5-69.9171.2-175.200112Q17 E25 D26 N27 S29Q17-E21 HydrophobicContact CG-CG 4.47Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.41Å; Q17-E21 PolarHBondContact NE2-OE1 3.04Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å; E21-E25 CarbonylContact O-C 3.55Å; E21-D26 PolarHBondContact O-N 2.81Å; E21-N27 PolarHBondContact O-N 2.9Å; E21-S29 WeakPolarHBondContact OE2-CB 3.19Å; E21-S29 PolarHBondContact OE2-N 3.07Å; E21-S29 PolarHBondContact OE2-OG 3.33Å
22Y80.2Confident84.4Confident82 Ų8263.2 Ų63.232%0.32233%0.328SS..Hα-helixtrans-74.8-51.2-179.5-171.5-82000113Y18 Y20 P28 D32Y18-Y22 VanDerWaalsContact O-CB 3.31Å; Y18-Y22 WeakPolarHBondContact O-CB 3.27Å; Y18-Y22 PolarHBondContact O-N 2.9Å; Y20-Y22 VanDerWaalsContact C-N 3.29Å; Y20-Y22 PolarHBondContact O-N 3.31Å; Y22-P28 HydrophobicContact CD2-CB 3.97Å; Y22-P28 HydrophobicContact CD2-CG 4.09Å; Y22-D32 WeakPolarHBondContact CE2-OD1 3.47Å
23Y76Confident84.1Confident80 Ų8066.7 Ų66.731%0.31435%0.354SS..Hα-helixtrans-92.6-19.2-169.1-67-77.3000114.2S19 H150S19-Y23 WeakPolarHBondContact O-CB 3.31Å; S19-Y23 VanDerWaalsContact O-CD2 3.24Å; S19-Y23 WeakPolarHBondContact O-CD2 3.43Å; S19-Y23 PolarHBondContact O-N 3Å; S19-Y23 WeakPolarHBondContact OG-CD2 3.14Å; Y23-H150 HydrophobicContact CD1-CB 4.05Å; Y23-H150 HydrophobicContact CD2-CB 3.32Å; Y23-H150 AromaticContact CD2-CG 3.75Å; Y23-H150 HydrophobicContact CE1-CB 4.29Å; Y23-H150 HydrophobicContact CE2-CB 3.61Å; Y23-H150 AromaticContact CE2-CG 3.48Å; Y23-H150 VanDerWaalsContact CE2-CG 3.48Å; Y23-H150 AromaticContact CE2-ND1 3.59Å; Y23-H150 HydrophobicContact CG-CB 3.57Å; Y23-H150 AromaticContact CZ-CG 3.88Å
24V71.5Confident84.1Confident27 Ų2764.4 Ų64.416%0.16434%0.34CS..THydrogen-bonded Turntrans-112-46.6-176.5-171.50000111.5Y20 T245Y20-V24 HydrophobicContact CD2-CB 3.77Å; Y20-V24 HydrophobicContact CD2-CG1 4.11Å; Y20-V24 HydrophobicContact CD2-CG2 3.58Å; Y20-V24 HydrophobicContact CE2-CB 3.76Å; Y20-V24 HydrophobicContact CE2-CG1 3.57Å; Y20-V24 HydrophobicContact CE2-CG2 3.91Å; Y20-V24 HydrophobicContact CG-CB 4.24Å; Y20-V24 HydrophobicContact CG-CG2 4.28Å; Y20-V24 WeakPolarHBondContact O-CA 3.45Å; Y20-V24 WeakPolarHBondContact O-CB 3.2Å; Y20-V24 PolarHBondContact O-N 3.01Å; V24-T245 HydrophobicContact CG1-CG2 4.22Å; V24-T245 WeakPolarHBondContact CG1-OG1 3.49Å; V24-T245 VanDerWaalsContact CG2-OG1 3.26Å; V24-T245 WeakPolarHBondContact CG2-OG1 3.25Å
25E78.6Confident83.9Confident104 Ų10463.9 Ų63.949%0.48634%0.335SS..SBendtrans-90.4-16.8-178.5-57.6-169.2151.400114.1Y20 E21 N27Y20-E25 HydrophobicContact CD1-CG 3.96Å; Y20-E25 HydrophobicContact CE1-CG 3.64Å; Y20-E25 VanDerWaalsContact CE1-OE1 3.32Å; Y20-E25 WeakPolarHBondContact CE1-OE1 3.41Å; Y20-E25 PolarHBondContact O-N 2.87Å; Y20-E25 VanDerWaalsContact O-N 3.13Å; E21-E25 CarbonylContact O-C 3.55Å; E25-N27 HydrophobicContact CB-CB 4.42Å; E25-N27 PolarHBondContact O-N 3.37Å
26D75.5Confident83.7Confident144 Ų14467.5 Ų67.577%0.7736%0.355SS*.SBendtrans54.335.6-172.5-161.132000112.5E21E21-D26 PolarHBondContact O-N 2.81Å
27N81.6Confident83.9Confident114 Ų11470.7 Ų70.761%0.6137%0.366SS*.  trans-14466.7-176.1-175.243.7000112.1E21 E25E21-N27 PolarHBondContact O-N 2.9Å; E25-N27 HydrophobicContact CB-CB 4.42Å; E25-N27 PolarHBondContact O-N 3.37Å
28P80.9Confident84.2Confident59 Ų5966.4 Ų66.438%0.38335%0.346SS..  trans-66.8133.4-174.527.8-35.1000113Y22Y22-P28 HydrophobicContact CD2-CB 3.97Å; Y22-P28 HydrophobicContact CD2-CG 4.09Å
29S89.1Confident84.2Confident72 Ų7265.7 Ų65.750%0.50335%0.345SS..SBendtrans-80.2-18.4174.863.80000114.3Y18 E21Y18-S29 WeakPolarHBondContact CE1-OG 3.46Å; E21-S29 WeakPolarHBondContact OE2-CB 3.19Å; E21-S29 PolarHBondContact OE2-N 3.07Å; E21-S29 PolarHBondContact OE2-OG 3.33Å
30V87.5Confident84.6Confident32 Ų3271.6 Ų71.619%0.19437%0.372CS..SBendtrans-130.4153.1-178.8-61.40000111.9Y18 E34Y18-V30 HydrophobicContact CD1-CG1 4.27Å; Y18-V30 HydrophobicContact CD1-CG2 3.71Å; Y18-V30 HydrophobicContact CD2-CG2 3.58Å; Y18-V30 HydrophobicContact CE1-CB 4.46Å; Y18-V30 HydrophobicContact CE1-CG1 3.66Å; Y18-V30 HydrophobicContact CE1-CG2 3.94Å; Y18-V30 HydrophobicContact CE2-CG1 4.12Å; Y18-V30 HydrophobicContact CE2-CG2 3.81Å; Y18-V30 HydrophobicContact CG-CG2 3.53Å; V30-E34 HydrophobicContact CB-CB 4.28Å
31P83.2Confident85.2Confident83 Ų8371.7 Ų71.754%0.53937%0.374SS..  trans-70.9153.6172.730.1-35.3000112S33 E34 Y35P31-S33 PolarHBondContact O-N 2.89Å; P31-E34 HydrophobicContact CG-CB 4.37Å; P31-E34 PolarHBondContact O-N 3.49Å; P31-Y35 PolarHBondContact O-N 2.9Å
32D81.5Confident85.6Confident89 Ų8970.6 Ų70.648%0.47637%0.369SS..Hα-helixtrans-48-36.1177.8-656.5000113Y22 E34 Y35 D36Y22-D32 WeakPolarHBondContact CE2-OD1 3.47Å; D32-E34 VanDerWaalsContact C-N 3.32Å; D32-E34 PolarHBondContact O-N 2.95Å; D32-Y35 PolarHBondContact O-N 3.48Å; D32-D36 PolarHBondContact O-N 3.48Å
33S85.4Confident86.1Confident86 Ų8668.9 Ų68.960%0.60137%0.365SS*.Hα-helixtrans-63.7-32.1179.658.70000114.3P31 K37P31-S33 PolarHBondContact O-N 2.89Å; S33-K37 WeakPolarHBondContact O-CB 3.16Å; S33-K37 PolarHBondContact O-N 2.96Å
34E90.8Very high86.9Confident66 Ų6670.8 Ų70.831%0.30838%0.375SS..Hα-helixtrans-77.1-40.6177.8-167.563.7-160.100110.3V30 P31 D32 D36 K37 L38V30-E34 HydrophobicContact CB-CB 4.28Å; P31-E34 HydrophobicContact CG-CB 4.37Å; P31-E34 PolarHBondContact O-N 3.49Å; D32-E34 VanDerWaalsContact C-N 3.32Å; D32-E34 PolarHBondContact O-N 2.95Å; E34-D36 PolarHBondContact O-N 3.28Å; E34-K37 PolarHBondContact O-N 3.24Å; E34-K37 IonicContact OE1-NZ 2.79Å; E34-K37 PolarHBondContact OE1-NZ 3.34Å; E34-K37 IonicContact OE2-NZ 3.9Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.95Å; E34-L38 VanDerWaalsContact O-N 3.12Å
35Y90Very high87.9Confident28 Ų2870.1 Ų70.111%0.1137%0.37CS..Hα-helixtrans-56.4-50.9172179.6-85.8000111.1L15 Y18 P31 D32 K37 L38 L39L15-Y35 HydrophobicContact CB-CE2 4.2Å; L15-Y35 HydrophobicContact CD2-CD1 4.43Å; L15-Y35 HydrophobicContact CD2-CD2 3.67Å; L15-Y35 HydrophobicContact CD2-CE1 4.33Å; L15-Y35 HydrophobicContact CD2-CE2 3.57Å; L15-Y35 HydrophobicContact CD2-CG 4.11Å; L15-Y35 WeakPolarHBondContact O-CE2 3.42Å; Y18-Y35 HydrophobicContact CD2-CD2 4.48Å; P31-Y35 PolarHBondContact O-N 2.9Å; D32-Y35 PolarHBondContact O-N 3.48Å; Y35-K37 VanDerWaalsContact C-N 3.31Å; Y35-K37 PolarHBondContact O-N 3.45Å; Y35-L38 PolarHBondContact O-N 2.96Å; Y35-L39 HydrophobicContact CE1-CB 4.4Å; Y35-L39 HydrophobicContact CE1-CD2 4Å; Y35-L39 WeakPolarHBondContact O-CB 3.46Å; Y35-L39 PolarHBondContact O-N 3.49Å
36D88Confident88.6Confident77 Ų7765.6 Ų65.641%0.41235%0.349SS..Hα-helixtrans-59.2-43.8-179.6-75.1-19.9000111.1D32 E34 L38 L39 H40D32-D36 PolarHBondContact O-N 3.48Å; E34-D36 PolarHBondContact O-N 3.28Å; D36-L38 PolarHBondContact O-N 3.11Å; D36-L39 PolarHBondContact O-N 3.43Å; D36-H40 PolarHBondContact O-N 2.86Å; D36-H40 PolarHBondContact O-ND1 2.91Å
37K92.2Very high89.3Confident120 Ų12065.8 Ų65.852%0.52235%0.346SS..Hα-helixtrans-59.2-45.8178.7177.4-174.7161.3-150.40112.2S33 E34 Y35 H40 E41S33-K37 WeakPolarHBondContact O-CB 3.16Å; S33-K37 PolarHBondContact O-N 2.96Å; E34-K37 PolarHBondContact O-N 3.24Å; E34-K37 IonicContact OE1-NZ 2.79Å; E34-K37 PolarHBondContact OE1-NZ 3.34Å; E34-K37 IonicContact OE2-NZ 3.9Å; Y35-K37 VanDerWaalsContact C-N 3.31Å; Y35-K37 PolarHBondContact O-N 3.45Å; K37-H40 PolarHBondContact O-N 3Å; K37-E41 PolarHBondContact O-N 3.42Å
38L94.1Very high89.9Confident9 Ų966.1 Ų66.15%0.04734%0.343CS..Hα-helixtrans-67.6-36.8177.6-64.7177.5000111.8L11 L14 L15 Y18 E34 Y35 D36 E41 L42L11-L38 HydrophobicContact CD2-CB 3.9Å; L11-L38 HydrophobicContact CD2-CD2 3.78Å; L11-L38 HydrophobicContact CD2-CG 4.35Å; L14-L38 HydrophobicContact CB-CD1 4.38Å; L14-L38 HydrophobicContact CD1-CD1 4.27Å; L15-L38 HydrophobicContact CD2-CB 3.88Å; L15-L38 HydrophobicContact CG-CB 4.3Å; Y18-L38 HydrophobicContact CD2-CD1 4.38Å; Y18-L38 HydrophobicContact CE2-CD1 3.76Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 2.95Å; E34-L38 VanDerWaalsContact O-N 3.12Å; Y35-L38 PolarHBondContact O-N 2.96Å; D36-L38 PolarHBondContact O-N 3.11Å; L38-E41 WeakPolarHBondContact O-CB 3.48Å; L38-E41 PolarHBondContact O-N 3.43Å; L38-L42 PolarHBondContact O-N 3.32Å
39L91.5Very high90.4Very high22 Ų2266.3 Ų66.312%0.11534%0.339CS..Hα-helixtrans-65.8-42.4175.8-177.264.4000111.6L15 Y35 D36 E41 L42 I43 P58 T59L15-L39 HydrophobicContact CD1-CB 4.39Å; L15-L39 HydrophobicContact CD1-CD1 4.14Å; L15-L39 HydrophobicContact CD2-CB 4.08Å; Y35-L39 HydrophobicContact CE1-CB 4.4Å; Y35-L39 HydrophobicContact CE1-CD2 4Å; Y35-L39 WeakPolarHBondContact O-CB 3.46Å; Y35-L39 PolarHBondContact O-N 3.49Å; D36-L39 PolarHBondContact O-N 3.43Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 3.26Å; L39-L42 PolarHBondContact O-N 3.36Å; L39-I43 HydrophobicContact CD1-CD1 4.48Å; L39-I43 HydrophobicContact CG-CD1 4.02Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.37Å; L39-I43 PolarHBondContact O-N 3.44Å; L39-P58 HydrophobicContact CD1-CB 4.29Å; L39-T59 HydrophobicContact CD1-CG2 4.21Å
40H91.7Very high90.4Very high128 Ų12867.2 Ų67.259%0.59334%0.343SS*.Hα-helixtrans-63.7-36.5174.9-74.391.5000111.9D36 K37 K44D36-H40 PolarHBondContact O-N 2.86Å; D36-H40 PolarHBondContact O-ND1 2.91Å; K37-H40 PolarHBondContact O-N 3Å; H40-K44 WeakPolarHBondContact O-CB 3.39Å; H40-K44 PolarHBondContact O-N 3.11Å; H40-K44 VanDerWaalsContact O-N 3.08Å
41E94.1Very high90.6Very high61 Ų6171.8 Ų71.829%0.28536%0.363SS..Hα-helixtrans-61.2-48.4172.6-172.4-176.416200111R7 L11 K37 L38 L39 K44 I45R7-E41 IonicContact CZ-OE1 3.86Å; R7-E41 IonicContact CZ-OE2 3.16Å; R7-E41 IonicContact NE-OE1 2.83Å; R7-E41 PolarHBondContact NE-OE1 3.31Å; R7-E41 IonicContact NE-OE2 3.43Å; R7-E41 VanDerWaalsContact NH2-CD 3.35Å; R7-E41 IonicContact NH2-OE1 3.34Å; R7-E41 PolarHBondContact NH2-OE1 2.77Å; R7-E41 VanDerWaalsContact NH2-OE1 3.16Å; R7-E41 IonicContact NH2-OE2 3.79Å; R7-E41 PolarHBondContact NH2-OE2 2.88Å; L11-E41 HydrophobicContact CD1-CB 4.44Å; L11-E41 HydrophobicContact CD1-CG 4.08Å; K37-E41 PolarHBondContact O-N 3.42Å; L38-E41 WeakPolarHBondContact O-CB 3.48Å; L38-E41 PolarHBondContact O-N 3.43Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 3.26Å; E41-K44 PolarHBondContact O-N 2.94Å; E41-I45 HydrophobicContact CG-CD1 4.14Å; E41-I45 WeakPolarHBondContact O-CG1 3.37Å; E41-I45 PolarHBondContact O-N 3.35Å
42L94.3Very high91Very high0 Ų069.7 Ų69.70%034%0.344CS..Hα-helixtrans-62.4-46.1178.6-177.861.5000112.3V8 L11 L15 L38 L39 K44 I45 E46 P58 T59V8-L42 HydrophobicContact CG1-CD1 4.12Å; V8-L42 HydrophobicContact CG2-CD1 4.46Å; L11-L42 HydrophobicContact CB-CB 4.42Å; L11-L42 HydrophobicContact CB-CD1 4.24Å; L11-L42 HydrophobicContact CD1-CB 4.08Å; L11-L42 HydrophobicContact CD1-CD1 4.24Å; L15-L42 HydrophobicContact CD1-CB 4.23Å; L15-L42 HydrophobicContact CD1-CD2 3.73Å; L38-L42 PolarHBondContact O-N 3.32Å; L39-L42 PolarHBondContact O-N 3.36Å; L42-K44 VanDerWaalsContact C-N 3.29Å; L42-K44 PolarHBondContact O-N 3.06Å; L42-I45 PolarHBondContact O-N 3.06Å; L42-I45 VanDerWaalsContact O-N 3.16Å; L42-E46 HydrophobicContact CD1-CG 4.23Å; L42-E46 HydrophobicContact CG-CG 4.48Å; L42-E46 WeakPolarHBondContact O-CG 3.28Å; L42-E46 PolarHBondContact O-N 3.44Å; L42-P58 HydrophobicContact CD2-CB 4.11Å; L42-P58 HydrophobicContact CD2-CG 3.99Å; L42-T59 HydrophobicContact CB-CG2 4.31Å; L42-T59 HydrophobicContact CD2-CG2 3.7Å; L42-T59 HydrophobicContact CG-CG2 3.7Å
43I90.8Very high91.4Very high46 Ų4670.7 Ų70.724%0.23634%0.344CS..Hα-helixtrans-55.4-47.3176.7-71.3167.3000110.3L39 I45 E46 E47 T59L39-I43 HydrophobicContact CD1-CD1 4.48Å; L39-I43 HydrophobicContact CG-CD1 4.02Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.37Å; L39-I43 PolarHBondContact O-N 3.44Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.92Å; I43-E46 PolarHBondContact O-N 3.33Å; I43-E47 HydrophobicContact CG2-CG 4.32Å; I43-E47 WeakPolarHBondContact O-CB 3.32Å; I43-E47 WeakPolarHBondContact O-CG 3.5Å; I43-E47 PolarHBondContact O-N 3.13Å; I43-T59 HydrophobicContact CG1-CG2 3.65Å
44K92.7Very high91.6Very high119 Ų11969.4 Ų69.452%0.51733%0.333SS..Hα-helixtrans-60.9-44179.1-176.1-176.5173.3-171.40111.7H40 E41 L42 E47 E48H40-K44 WeakPolarHBondContact O-CB 3.39Å; H40-K44 PolarHBondContact O-N 3.11Å; H40-K44 VanDerWaalsContact O-N 3.08Å; E41-K44 PolarHBondContact O-N 2.94Å; L42-K44 VanDerWaalsContact C-N 3.29Å; L42-K44 PolarHBondContact O-N 3.06Å; K44-E47 PolarHBondContact O-N 3.04Å; K44-E48 WeakPolarHBondContact CE-OE1 3.46Å; K44-E48 IonicContact NZ-OE1 2.8Å; K44-E48 WeakPolarHBondContact O-CG 3.34Å; K44-E48 PolarHBondContact O-N 2.83Å
45I93Very high91.4Very high14 Ų1471.2 Ų71.27%0.07235%0.348CS..Hα-helixtrans-62.1-45.8178.7-66.7166.8000110.5L4 R7 V8 L11 E41 L42 I43 E48 H49L4-I45 HydrophobicContact CD1-CD1 4.19Å; L4-I45 HydrophobicContact CD1-CG1 4.16Å; L4-I45 HydrophobicContact CD1-CG2 4.01Å; L4-I45 HydrophobicContact CD2-CG2 4.12Å; L4-I45 HydrophobicContact CG-CG2 3.97Å; R7-I45 HydrophobicContact CG-CD1 4.3Å; V8-I45 HydrophobicContact CG2-CG2 3.54Å; L11-I45 HydrophobicContact CD1-CD1 3.78Å; E41-I45 HydrophobicContact CG-CD1 4.14Å; E41-I45 WeakPolarHBondContact O-CG1 3.37Å; E41-I45 PolarHBondContact O-N 3.35Å; L42-I45 PolarHBondContact O-N 3.06Å; L42-I45 VanDerWaalsContact O-N 3.16Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.92Å; I45-E48 PolarHBondContact O-N 3.12Å; I45-H49 WeakPolarHBondContact O-CB 3.2Å; I45-H49 PolarHBondContact O-N 3.49Å
46E92.9Very high91.2Very high8 Ų870.6 Ų70.64%0.03735%0.346CS..Hα-helixtrans-70.3-29.6-179.6-70.4-175.9165.100113.8H12 L42 I43 H49 P50 K53 S57 T59H12-E46 IonicContact NE2-OE1 3.89Å; L42-E46 HydrophobicContact CD1-CG 4.23Å; L42-E46 HydrophobicContact CG-CG 4.48Å; L42-E46 WeakPolarHBondContact O-CG 3.28Å; L42-E46 PolarHBondContact O-N 3.44Å; I43-E46 PolarHBondContact O-N 3.33Å; E46-H49 CarbonylContact O-C 3.33Å; E46-P50 WeakPolarHBondContact O-CA 3.4Å; E46-K53 HydrophobicContact CB-CB 4.23Å; E46-K53 HydrophobicContact CB-CD 4.5Å; E46-K53 HydrophobicContact CG-CB 4.05Å; E46-K53 HydrophobicContact CG-CG 4.45Å; E46-S57 WeakPolarHBondContact OE1-CB 3.46Å; E46-S57 PolarHBondContact OE1-OG 3.04Å; E46-T59 VanDerWaalsContact OE2-CB 3.29Å; E46-T59 WeakPolarHBondContact OE2-CB 3.36Å; E46-T59 WeakPolarHBondContact OE2-CG2 3.47Å; E46-T59 PolarHBondContact OE2-OG1 3.23Å
47E90.7Very high91.4Very high149 Ų14966.9 Ų66.970%0.69633%0.327SS*.Hα-helixtrans-69.1-40.3172.3-76.8179171.400111.7I43 K44I43-E47 HydrophobicContact CG2-CG 4.32Å; I43-E47 WeakPolarHBondContact O-CB 3.32Å; I43-E47 WeakPolarHBondContact O-CG 3.5Å; I43-E47 PolarHBondContact O-N 3.13Å; K44-E47 PolarHBondContact O-N 3.04Å
48E92.7Very high91.2Very high120 Ų12061.3 Ų61.356%0.56130%0.303SS*.Hα-helixtrans-75.7-29.1177-70176.2-179.400112.2K44 I45K44-E48 WeakPolarHBondContact CE-OE1 3.46Å; K44-E48 IonicContact NZ-OE1 2.8Å; K44-E48 WeakPolarHBondContact O-CG 3.34Å; K44-E48 PolarHBondContact O-N 2.83Å; I45-E48 PolarHBondContact O-N 3.12Å
49H91.8Very high90.9Very high63 Ų6361 Ų6129%0.29230%0.302SS..  trans-137.478.7-175.7-67.1-82.7000112.2L4 I45 E46 E51 Y52L4-H49 WeakPolarHBondContact CD2-CD2 3.4Å; I45-H49 WeakPolarHBondContact O-CB 3.2Å; I45-H49 PolarHBondContact O-N 3.49Å; E46-H49 CarbonylContact O-C 3.33Å; H49-E51 VanDerWaalsContact C-OE2 3.22Å; H49-E51 WeakPolarHBondContact CA-OE2 3.36Å; H49-E51 IonicContact CG-OE1 2.67Å; H49-E51 IonicContact ND1-OE1 3.13Å; H49-E51 PolarHBondContact ND1-OE1 2.89Å; H49-E51 PolarHBondContact O-N 2.86Å; H49-Y52 HydrophobicContact CB-CD2 3.44Å; H49-Y52 VanDerWaalsContact CB-CD2 3.44Å; H49-Y52 HydrophobicContact CB-CE2 3.84Å; H49-Y52 PolarHBondContact O-N 2.91Å
50P90Very high90.7Very high91 Ų9161.2 Ų61.259%0.59130%0.304SS*.G310 helixtrans-57.7-22.8-177.6-26.135.6000114.6E46 Y52 K53E46-P50 WeakPolarHBondContact O-CA 3.4Å; P50-Y52 PolarHBondContact O-N 3.05Å; P50-K53 PolarHBondContact O-N 2.97Å
51E91Very high90.4Very high129 Ų12955.6 Ų55.660%0.60328%0.277SS*.G310 helixtrans-63-19.6176.466.3-87.2-158.300114.3H49H49-E51 VanDerWaalsContact C-OE2 3.22Å; H49-E51 WeakPolarHBondContact CA-OE2 3.36Å; H49-E51 IonicContact CG-OE1 2.67Å; H49-E51 IonicContact ND1-OE1 3.13Å; H49-E51 PolarHBondContact ND1-OE1 2.89Å; H49-E51 PolarHBondContact O-N 2.86Å
52Y91.1Very high89.5Confident39 Ų3956.1 Ų56.115%0.15328%0.284CS..G310 helixtrans-91.8-8.4177.7-65.9-53.7000113.7L4 V8 H49 P50 T54L4-Y52 HydrophobicContact CB-CE2 4.48Å; L4-Y52 HydrophobicContact CD2-CD2 4.16Å; L4-Y52 HydrophobicContact CD2-CE2 3.7Å; L4-Y52 HydrophobicContact CG-CE2 4.22Å; V8-Y52 HydrophobicContact CG2-CG 4.29Å; H49-Y52 HydrophobicContact CB-CD2 3.44Å; H49-Y52 VanDerWaalsContact CB-CD2 3.44Å; H49-Y52 HydrophobicContact CB-CE2 3.84Å; H49-Y52 PolarHBondContact O-N 2.91Å; P50-Y52 PolarHBondContact O-N 3.05Å; Y52-T54 PolarHBondContact O-N 3.47Å; Y52-T54 VanDerWaalsContact O-N 3.15Å
53K89.7Confident88.1Confident110 Ų11056.8 Ų56.848%0.47829%0.291SS..  trans-77.9100.7179-173.4166.8-171.6164.60110.8E46 P50 T59E46-K53 HydrophobicContact CB-CB 4.23Å; E46-K53 HydrophobicContact CB-CD 4.5Å; E46-K53 HydrophobicContact CG-CB 4.05Å; E46-K53 HydrophobicContact CG-CG 4.45Å; P50-K53 PolarHBondContact O-N 2.97Å; K53-T59 WeakPolarHBondContact CE-OG1 3.42Å
54T89.9Confident87Confident58 Ų5855.9 Ų55.936%0.35629%0.293SS..  trans-87.6162.617762.90000112H12 Y52 D56 S57H12-T54 PolarHBondContact CE1-OG1 3.25Å; H12-T54 VanDerWaalsContact CE1-OG1 3.32Å; Y52-T54 PolarHBondContact O-N 3.47Å; Y52-T54 VanDerWaalsContact O-N 3.15Å; T54-D56 WeakPolarHBondContact CB-OD1 3.35Å; T54-D56 PolarHBondContact O-N 2.94Å; T54-D56 PolarHBondContact OG1-OD1 3.17Å; T54-S57 WeakPolarHBondContact O-CB 3.24Å; T54-S57 PolarHBondContact O-N 2.93Å; T54-S57 VanDerWaalsContact O-N 3.14Å; T54-S57 PolarHBondContact OG1-N 3.27Å
55V86.4Confident86Confident104 Ų10458.8 Ų58.863%0.6331%0.308SS*.THydrogen-bonded Turntrans-65.9-20-179.4-64.90000113.8Y126V55-Y126 HydrophobicContact CG2-CD1 4.21Å
56D87.4Confident84.7Confident15 Ų1561.4 Ų61.48%0.0833%0.332CS..THydrogen-bonded Turntrans-102.97177.665.2-29.9000113.4T54 Y126 L154 K155T54-D56 WeakPolarHBondContact CB-OD1 3.35Å; T54-D56 PolarHBondContact O-N 2.94Å; T54-D56 PolarHBondContact OG1-OD1 3.17Å; D56-Y126 HydrophobicContact CB-CD1 4.12Å; D56-Y126 HydrophobicContact CB-CE1 4.15Å; D56-L154 HydrophobicContact CB-CB 3.96Å; D56-K155 HydrophobicContact CB-CB 4.05Å; D56-K155 WeakPolarHBondContact OD2-CD 3.35Å
57S90.8Very high83.9Confident0 Ų063.7 Ų63.70%034%0.343CS..  trans-59137.9178168.70000111.4E46 T54 T59 V60E46-S57 WeakPolarHBondContact OE1-CB 3.46Å; E46-S57 PolarHBondContact OE1-OG 3.04Å; T54-S57 WeakPolarHBondContact O-CB 3.24Å; T54-S57 PolarHBondContact O-N 2.93Å; T54-S57 VanDerWaalsContact O-N 3.14Å; T54-S57 PolarHBondContact OG1-N 3.27Å; S57-T59 PolarHBondContact O-N 3.18Å; S57-T59 PolarHBondContact OG-N 3.12Å; S57-T59 PolarHBondContact OG-OG1 3.38Å; S57-V60 VanDerWaalsContact O-CB 3.32Å; S57-V60 WeakPolarHBondContact O-CB 3.37Å; S57-V60 WeakPolarHBondContact O-CG2 3.22Å; S57-V60 PolarHBondContact O-N 3Å
58P88.5Confident82.7Confident3 Ų361.3 Ų61.32%0.01935%0.349CS..G310 helixtrans-51.2-27.3172.1-27.833.6000114.5L15 L39 L42 V60 R61L15-P58 HydrophobicContact CB-CB 3.99Å; L15-P58 HydrophobicContact CB-CG 3.74Å; L15-P58 HydrophobicContact CD1-CB 3.97Å; L15-P58 HydrophobicContact CD1-CG 4.03Å; L39-P58 HydrophobicContact CD1-CB 4.29Å; L42-P58 HydrophobicContact CD2-CB 4.11Å; L42-P58 HydrophobicContact CD2-CG 3.99Å; P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 3.32Å; P58-R61 WeakPolarHBondContact O-CB 3.32Å; P58-R61 WeakPolarHBondContact O-CG 3.17Å; P58-R61 PolarHBondContact O-N 2.97Å
59T88.7Confident82.1Confident3 Ų359.1 Ų59.12%0.01835%0.346CS..G310 helixtrans-71.9-21.4179.974.70000112.9L39 L42 I43 E46 K53 S57 R61 V62L39-T59 HydrophobicContact CD1-CG2 4.21Å; L42-T59 HydrophobicContact CB-CG2 4.31Å; L42-T59 HydrophobicContact CD2-CG2 3.7Å; L42-T59 HydrophobicContact CG-CG2 3.7Å; I43-T59 HydrophobicContact CG1-CG2 3.65Å; E46-T59 VanDerWaalsContact OE2-CB 3.29Å; E46-T59 WeakPolarHBondContact OE2-CB 3.36Å; E46-T59 WeakPolarHBondContact OE2-CG2 3.47Å; E46-T59 PolarHBondContact OE2-OG1 3.23Å; K53-T59 WeakPolarHBondContact CE-OG1 3.42Å; S57-T59 PolarHBondContact O-N 3.18Å; S57-T59 PolarHBondContact OG-N 3.12Å; S57-T59 PolarHBondContact OG-OG1 3.38Å; T59-R61 PolarHBondContact O-N 3.31Å; T59-R61 VanDerWaalsContact O-N 3.14Å; T59-V62 WeakPolarHBondContact O-CG2 3.37Å; T59-V62 PolarHBondContact O-N 3.41Å
60V86.9Confident81.8Confident26 Ų2658 Ų5816%0.15834%0.341CS..G310 helixtrans-60.5-26.2177.3176.60000111.1S57 P58 V62 G63 K147 L154S57-V60 VanDerWaalsContact O-CB 3.32Å; S57-V60 WeakPolarHBondContact O-CB 3.37Å; S57-V60 WeakPolarHBondContact O-CG2 3.22Å; S57-V60 PolarHBondContact O-N 3Å; P58-V60 VanDerWaalsContact C-N 3.28Å; P58-V60 PolarHBondContact O-N 3.32Å; V60-V62 PolarHBondContact O-N 3.42Å; V60-G63 PolarHBondContact O-N 2.91Å; V60-K147 HydrophobicContact CG1-CB 4.33Å; V60-K147 HydrophobicContact CG1-CD 3.79Å; V60-K147 HydrophobicContact CG1-CG 4.44Å; V60-L154 HydrophobicContact CB-CD1 4.29Å
61R84.7Confident81.6Confident10 Ų1059 Ų594%0.03834%0.341CS..G310 helixtrans-68.6-16.4-178.6-55.1-159.9177.2-82.514114.6P58 T59 G63 K147 T148 I149 I152 L154P58-R61 WeakPolarHBondContact O-CB 3.32Å; P58-R61 WeakPolarHBondContact O-CG 3.17Å; P58-R61 PolarHBondContact O-N 2.97Å; T59-R61 PolarHBondContact O-N 3.31Å; T59-R61 VanDerWaalsContact O-N 3.14Å; R61-G63 PolarHBondContact O-N 2.95Å; R61-K147 WeakPolarHBondContact CG-O 3.41Å; R61-K147 PolarHBondContact NH1-O 2.82Å; R61-T148 WeakPolarHBondContact O-CB 3.33Å; R61-I149 PolarHBondContact NH1-O 2.91Å; R61-I149 VanDerWaalsContact NH1-O 3.16Å; R61-I152 PolarHBondContact NH1-O 2.52Å; R61-I152 PolarHBondContact NH2-O 3.11Å; R61-L154 HydrophobicContact CG-CD1 4.31Å
62V75.9Confident81.4Confident72 Ų7258.3 Ų58.344%0.43634%0.336SS..G310 helixtrans-72.7-10.8-179.7-52.40000113.2T59 V60T59-V62 WeakPolarHBondContact O-CG2 3.37Å; T59-V62 PolarHBondContact O-N 3.41Å; V60-V62 PolarHBondContact O-N 3.42Å
63G65.1Low81.2Confident13 Ų1358.2 Ų58.213%0.13434%0.34CS..  trans91.9155.4-175.800000113V60 R61 S206V60-G63 PolarHBondContact O-N 2.91Å; R61-G63 PolarHBondContact O-N 2.95Å; G63-S206 VanDerWaalsContact CA-OG 3.31Å; G63-S206 WeakPolarHBondContact CA-OG 3.49Å
64G67.5Low81.1Confident27 Ų2758.1 Ų58.128%0.27834%0.344SS..  trans-107.3-157.4-172.800000113.7S206 K207G64-S206 PolarHBondContact N-OG 3.14Å; G64-K207 WeakPolarHBondContact O-CE 3.25Å
65E71.2Confident80.8Confident180 Ų18056.2 Ų56.284%0.84133%0.331SS*.SBendtrans-66.6148166.8-65.5-171.6162.900110.5Q67E65-Q67 PolarHBondContact O-N 3.44Å
66A66.6Low80.6Confident69 Ų6954.9 Ų54.957%0.5732%0.32SS*.PPolyproline II helixtrans-66.3132179.200000110.7D205A66-D205 HydrophobicContact CB-CB 4.06Å
67Q76.3Confident80.3Confident57 Ų5755 Ų5527%0.26632%0.322SS..PPolyproline II helixtrans-74.7148.2177.1-60.3-179.8-59.500110.6E65 L204E65-Q67 PolarHBondContact O-N 3.44Å; Q67-L204 PolarHBondContact N-O 3.12Å; Q67-L204 WeakPolarHBondContact O-CB 3.07Å
68A65.6Low79.8Confident99 Ų9958.5 Ų58.582%0.81835%0.345SS*.SBendtrans-74.2-35.6175.400000112.4
69S78.6Confident79.7Confident73 Ų7358.7 Ų58.751%0.5135%0.345SS..  trans-164.9162.9-178.855.60000110.5
70F85.6Confident79.4Confident40 Ų4061.6 Ų61.618%0.17536%0.36CS..PPolyproline II helixtrans-85.7135.5168.1-61.5-64.6000111E140 D141 I142 R202 Q203 L204F70-E140 HydrophobicContact CB-CB 4.19Å; F70-D141 VanDerWaalsContact CD1-O 3.26Å; F70-D141 WeakPolarHBondContact CD1-O 3.28Å; F70-I142 HydrophobicContact CD1-CG2 3.96Å; F70-I142 HydrophobicContact CE1-CG2 3.89Å; F70-I142 HydrophobicContact CZ-CG2 4.43Å; F70-R202 HydrophobicContact CE2-CB 4.21Å; F70-Q203 WeakPolarHBondContact CZ-O 3.47Å; F70-L204 HydrophobicContact CD2-CD2 4.21Å; F70-L204 HydrophobicContact CE2-CD2 3.98Å; F70-L204 HydrophobicContact CZ-CD2 4.25Å
71N87.1Confident79.4Confident111 Ų11162.7 Ų62.759%0.59437%0.369SS*.PPolyproline II helixtrans-82.8142.6173.9-65.9-35.5000109.9E140 D141N71-E140 WeakPolarHBondContact O-CA 3.43Å; N71-D141 PolarHBondContact O-N 2.69Å
72K85.8Confident79.6Confident116 Ų11664.9 Ų64.950%0.50438%0.382SS..EExtended strand (participates in β ladder)trans-85.7127.7171.2-70.4179.6-175.8168.30108.9T138 G139 D444K72-T138 HydrophobicContact CB-CG2 3.85Å; K72-G139 CarbonylContact C-O 3.55Å; K72-G139 VanDerWaalsContact CA-O 3.3Å; K72-G139 WeakPolarHBondContact CA-O 3.41Å; K72-D444 IonicContact NZ-OD2 2.74Å
73V87.5Confident80.2Confident37 Ų3762.6 Ų62.622%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-130.7137.3-177.5-177.50000109.2L131 T138 G139 D141V73-L131 HydrophobicContact CB-CD1 4.06Å; V73-L131 HydrophobicContact CB-CD2 3.82Å; V73-L131 HydrophobicContact CG1-CD1 3.95Å; V73-L131 HydrophobicContact CG1-CD2 4.24Å; V73-L131 HydrophobicContact CG2-CD2 4.24Å; V73-T138 CarbonylContact O-C 3.47Å; V73-T138 WeakPolarHBondContact O-CA 3.48Å; V73-G139 PolarHBondContact N-O 3.47Å; V73-G139 PolarHBondContact O-N 3.01Å; V73-D141 HydrophobicContact CG2-CB 3.99Å
74N86.8Confident81.4Confident108 Ų10866 Ų6658%0.57839%0.387SS*.EExtended strand (participates in β ladder)trans-74.5137.3175-69.1-23.4000110.2T137 T138N74-T137 CarbonylContact C-O 3.56Å; N74-T137 WeakPolarHBondContact CA-O 3.33Å; N74-T138 PolarHBondContact OD1-OG1 2.62Å
75H84.5Confident82.6Confident17 Ų1764.7 Ų64.78%0.07937%0.374CS..  trans-69.9141.8170.3-62.5-77.8000109.7T77 M79 T132 R133 T137H75-T77 WeakPolarHBondContact CB-O 3.47Å; H75-T77 PolarHBondContact O-N 3.39Å; H75-M79 PolarHBondContact CE1-SD 2.51Å; H75-T132 PolarHBondContact CE1-O 3.24Å; H75-T132 PolarHBondContact NE2-O 3.22Å; H75-T132 VanDerWaalsContact NE2-O 3.07Å; H75-R133 PolarHBondContact NE2-O 3.27Å; H75-T137 PolarHBondContact CD2-O 2.91Å; H75-T137 PolarHBondContact N-O 3.25Å
76D81.6Confident83.4Confident76 Ų7661 Ų6141%0.40636%0.356SS..SBendtrans-62.4-33.8174.8-71.2-30.9000111.1K121D76-K121 IonicContact OD1-NZ 2.84Å; D76-K121 IonicContact OD2-NZ 2.69Å; D76-K121 PolarHBondContact OD2-NZ 3.43Å
77T81.1Confident84.4Confident19 Ų1960.9 Ų60.912%0.11735%0.345CS..SBendtrans-130.6139.1172.850.40000110.6H75 M79 E163 R165 N222 N608H75-T77 WeakPolarHBondContact CB-O 3.47Å; H75-T77 PolarHBondContact O-N 3.39Å; T77-M79 PolarHBondContact O-N 3.14Å; T77-E163 PolarHBondContact OG1-OE2 3.41Å; T77-R165 PolarHBondContact O-NH2 3.06Å; T77-R165 PolarHBondContact OG1-NH2 2.64Å; T77-N222 PolarHBondContact OG1-ND2 2.94Å; T77-N608 WeakPolarHBondContact CG2-ND2 3.48Å
78P80.2Confident85.3Confident73 Ų7362.5 Ų62.547%0.47435%0.353SS..  trans-60.1139.2-179.3-25.934.7000113.9L80 G136 R165P78-L80 HydrophobicContact CB-CD2 4.25Å; P78-G136 CarbonylContact C-O 3.58Å; P78-G136 VanDerWaalsContact CA-O 3.25Å; P78-G136 WeakPolarHBondContact CA-O 3.49Å; P78-R165 VanDerWaalsContact C-NH2 3.34Å; P78-R165 PolarHBondContact O-NH1 3.08Å; P78-R165 PolarHBondContact O-NH2 2.87Å
79M86.8Confident86.7Confident6 Ų662.9 Ų62.93%0.0334%0.341CS..  trans-92.198169.8-66.1-172.878.100110.7H75 T77 A117 R133 G136 R165H75-M79 PolarHBondContact CE1-SD 2.51Å; T77-M79 PolarHBondContact O-N 3.14Å; M79-A117 HydrophobicContact CE-CB 4.01Å; M79-R133 HydrophobicContact CB-CG 3.62Å; M79-R133 HydrophobicContact CE-CB 4.41Å; M79-R133 HydrophobicContact CE-CG 4.27Å; M79-R133 HydrophobicContact CG-CG 4.46Å; M79-R133 HydrophobicContact SD-CB 4.2Å; M79-R133 HydrophobicContact SD-CG 4.06Å; M79-G136 PolarHBondContact N-O 3.2Å; M79-G136 VanDerWaalsContact O-CA 3.25Å; M79-G136 WeakPolarHBondContact O-CA 3.45Å; M79-R165 HydrophobicContact CE-CB 4.5Å; M79-R165 HydrophobicContact CE-CG 4.17Å
80L83Confident87.4Confident64 Ų6461.5 Ų61.534%0.33533%0.328SS..PPolyproline II helixtrans-80.8164.4-178-58-180000112.6P78 F295P78-L80 HydrophobicContact CB-CD2 4.25Å; L80-F295 HydrophobicContact CD1-CB 4.17Å; L80-F295 HydrophobicContact CD1-CD1 3.44Å; L80-F295 VanDerWaalsContact CD1-CD1 3.44Å; L80-F295 HydrophobicContact CD1-CE1 4.12Å; L80-F295 HydrophobicContact CD1-CG 4.01Å
81S86.1Confident87.9Confident50 Ų5059.6 Ų59.635%0.3532%0.32SS..PPolyproline II helixtrans-88.3172.8169.9-63.20000110.5K298 S299 P300S81-K298 PolarHBondContact N-O 3.22Å; S81-S299 WeakPolarHBondContact O-CA 3.47Å; S81-S299 WeakPolarHBondContact O-CB 3.17Å; S81-P300 VanDerWaalsContact O-CD 3.27Å; S81-P300 WeakPolarHBondContact O-CD 3.17Å
82L89.4Confident88.4Confident56 Ų5658.6 Ų58.629%0.29331%0.308SS..PPolyproline II helixtrans-98.8151.1171.1-69.5168.9000110.5V281 P300 A303 A305L82-V281 HydrophobicContact CD1-CB 4.43Å; L82-V281 HydrophobicContact CD1-CG1 3.73Å; L82-V281 HydrophobicContact CD1-CG2 3.81Å; L82-P300 HydrophobicContact CD2-CG 3.78Å; L82-A303 HydrophobicContact CD2-CB 3.69Å; L82-A305 HydrophobicContact CB-CB 4.02Å; L82-A305 HydrophobicContact CD1-CB 4.08Å
83G87.6Confident88.8Confident24 Ų2458.5 Ų58.525%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-65.4151.2161.900000109.8I304 A305G83-I304 WeakPolarHBondContact O-CG1 3.34Å; G83-A305 PolarHBondContact O-N 3.09Å
84N90.3Very high89.2Confident83 Ų8357 Ų5744%0.44430%0.297SS..EExtended strand (participates in β ladder)trans-108142.4179.4-62.1-53.9000111F86 A305N84-F86 HydrophobicContact CB-CE1 4.4Å; N84-F86 HydrophobicContact CB-CE2 3.78Å; N84-F86 HydrophobicContact CB-CZ 3.67Å; N84-A305 CarbonylContact C-O 3.54Å; N84-A305 WeakPolarHBondContact CA-O 3.37Å
85A91.8Very high89.7Confident0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-118.9140.9163.900000108.7D90 L91 I304 A305 Y306 K307A85-D90 HydrophobicContact CB-CB 3.63Å; A85-L91 HydrophobicContact CB-CD2 3.54Å; A85-L91 HydrophobicContact CB-CG 3.98Å; A85-I304 HydrophobicContact CB-CD1 3.74Å; A85-I304 HydrophobicContact CB-CG1 4.12Å; A85-A305 PolarHBondContact N-O 3.49Å; A85-Y306 HydrophobicContact CB-CD2 4.34Å; A85-Y306 WeakPolarHBondContact O-CA 3.49Å; A85-K307 PolarHBondContact O-N 2.69Å
86F88Confident90.2Very high104 Ų10456.7 Ų56.746%0.45629%0.293SS..  trans-118.8-7.6-177.4-59.8-80.7000113.2N84 D90 K307N84-F86 HydrophobicContact CB-CE1 4.4Å; N84-F86 HydrophobicContact CB-CE2 3.78Å; N84-F86 HydrophobicContact CB-CZ 3.67Å; F86-D90 PolarHBondContact N-OD2 2.52Å; F86-K307 HydrophobicContact CD1-CB 3.93Å; F86-K307 HydrophobicContact CD1-CG 4.42Å; F86-K307 HydrophobicContact CE1-CB 4.04Å; F86-K307 HydrophobicContact CE1-CG 4.05Å
87N89Confident90.7Very high65 Ų6559.7 Ų59.735%0.34830%0.299SS..SBendtrans-153.8174.8-178.657.160.6000110.3D89 D90 L91N87-D89 WeakPolarHBondContact OD1-CB 3.29Å; N87-D89 PolarHBondContact OD1-N 3.28Å; N87-D89 VanDerWaalsContact OD1-N 3.08Å; N87-D90 PolarHBondContact ND2-OD2 3.2Å; N87-D90 PolarHBondContact O-N 3.15Å; N87-D90 PolarHBondContact OD1-N 3.25Å; N87-L91 PolarHBondContact O-N 3.47Å
88E94.3Very high91.3Very high91 Ų9158.9 Ų58.943%0.42529%0.294SS..Hα-helixtrans-63.3-38.2178.7179.1173.9157.600112.9D90 L91 R92 L260E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 3.33Å; E88-L91 WeakPolarHBondContact O-CB 3.2Å; E88-L91 PolarHBondContact O-N 3.32Å; E88-L91 VanDerWaalsContact O-N 3.1Å; E88-R92 HydrophobicContact CG-CG 4.25Å; E88-R92 WeakPolarHBondContact O-CG 3.18Å; E88-R92 PolarHBondContact O-N 3.44Å; E88-R92 IonicContact OE1-CZ 2.72Å; E88-R92 IonicContact OE1-NE 3.29Å; E88-R92 PolarHBondContact OE1-NE 2.84Å; E88-R92 IonicContact OE1-NH2 3.67Å; E88-R92 PolarHBondContact OE1-NH2 3.17Å; E88-L260 HydrophobicContact CB-CD2 4.22Å; E88-L260 HydrophobicContact CG-CD1 3.81Å; E88-L260 HydrophobicContact CG-CD2 3.83Å; E88-L260 HydrophobicContact CG-CG 4.5Å
89D94.9Very high92Very high107 Ų10759.4 Ų59.457%0.57229%0.286SS*.Hα-helixtrans-62.3-39.1179.9-70.5-24.1000112.1N87 L91 R92 K93N87-D89 WeakPolarHBondContact OD1-CB 3.29Å; N87-D89 PolarHBondContact OD1-N 3.28Å; N87-D89 VanDerWaalsContact OD1-N 3.08Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.95Å; D89-R92 PolarHBondContact O-N 3.44Å; D89-K93 WeakPolarHBondContact O-CB 3.21Å; D89-K93 VanDerWaalsContact O-CG 3.27Å; D89-K93 WeakPolarHBondContact O-CG 3.37Å; D89-K93 PolarHBondContact O-N 3.22Å
90D94.2Very high92.2Very high44 Ų4465.7 Ų65.724%0.23532%0.316CS..Hα-helixtrans-60.9-41.2174.9-68.6-23.8000111.1A85 F86 N87 E88 F94A85-D90 HydrophobicContact CB-CB 3.63Å; F86-D90 PolarHBondContact N-OD2 2.52Å; N87-D90 PolarHBondContact ND2-OD2 3.2Å; N87-D90 PolarHBondContact O-N 3.15Å; N87-D90 PolarHBondContact OD1-N 3.25Å; E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 3.33Å; D90-F94 WeakPolarHBondContact O-CB 3.44Å; D90-F94 PolarHBondContact O-N 2.9Å
91L96.3Very high92.4Very high0 Ų066.5 Ų66.50%032%0.318CS..Hα-helixtrans-69.4-43177.9-69.9-176.6000112.1A85 N87 E88 D89 K93 F94 D95 I256 V259 L260 I263 I282 I304 Y306A85-L91 HydrophobicContact CB-CD2 3.54Å; A85-L91 HydrophobicContact CB-CG 3.98Å; N87-L91 PolarHBondContact O-N 3.47Å; E88-L91 WeakPolarHBondContact O-CB 3.2Å; E88-L91 PolarHBondContact O-N 3.32Å; E88-L91 VanDerWaalsContact O-N 3.1Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.95Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 3.39Å; L91-F94 WeakPolarHBondContact O-CB 3.3Å; L91-F94 PolarHBondContact O-N 2.95Å; L91-F94 VanDerWaalsContact O-N 3.12Å; L91-D95 PolarHBondContact O-N 3.3Å; L91-I256 HydrophobicContact CB-CD1 3.99Å; L91-V259 HydrophobicContact CD1-CG1 4.48Å; L91-L260 HydrophobicContact CD1-CD2 3.94Å; L91-I263 HydrophobicContact CD1-CD1 3.33Å; L91-I282 HydrophobicContact CD1-CD1 4.42Å; L91-I282 HydrophobicContact CD2-CD1 3.61Å; L91-I304 HydrophobicContact CD2-CG2 4.01Å; L91-Y306 HydrophobicContact CD1-CD2 3.57Å; L91-Y306 HydrophobicContact CD1-CE2 4.15Å; L91-Y306 HydrophobicContact CD1-CG 4.16Å; L91-Y306 HydrophobicContact CD2-CD2 4.36Å; L91-Y306 HydrophobicContact CG-CD2 3.99Å
92R96.7Very high92.6Very high91 Ų9165.6 Ų65.634%0.34331%0.308SS..Hα-helixtrans-64-38175.8-69.2-171.9-178.5-72.2-1.6111.6E88 D89 F94 D95 Q96 I256 D257 L260E88-R92 HydrophobicContact CG-CG 4.25Å; E88-R92 WeakPolarHBondContact O-CG 3.18Å; E88-R92 PolarHBondContact O-N 3.44Å; E88-R92 IonicContact OE1-CZ 2.72Å; E88-R92 IonicContact OE1-NE 3.29Å; E88-R92 PolarHBondContact OE1-NE 2.84Å; E88-R92 IonicContact OE1-NH2 3.67Å; E88-R92 PolarHBondContact OE1-NH2 3.17Å; D89-R92 PolarHBondContact O-N 3.44Å; R92-F94 VanDerWaalsContact C-N 3.34Å; R92-D95 PolarHBondContact O-N 3.19Å; R92-Q96 WeakPolarHBondContact O-CB 3.48Å; R92-Q96 PolarHBondContact O-N 2.78Å; R92-I256 HydrophobicContact CG-CG1 4.34Å; R92-D257 IonicContact CZ-OD1 3.3Å; R92-D257 IonicContact NH1-OD1 2.68Å; R92-D257 PolarHBondContact NH1-OD1 2.92Å; R92-D257 VanDerWaalsContact NH1-OD1 3.08Å; R92-D257 IonicContact NH2-OD1 3.43Å; R92-D257 PolarHBondContact NH2-OD1 2.69Å; R92-D257 VanDerWaalsContact NH2-OD1 3.12Å; R92-L260 VanDerWaalsContact NH2-CD1 3.33Å
93K95.6Very high92.6Very high113 Ų11364.5 Ų64.549%0.49131%0.311SS..Hα-helixtrans-65-36.3171.5-73.1169-172.5164.20112.5D89 L91 R97D89-K93 WeakPolarHBondContact O-CB 3.21Å; D89-K93 VanDerWaalsContact O-CG 3.27Å; D89-K93 WeakPolarHBondContact O-CG 3.37Å; D89-K93 PolarHBondContact O-N 3.22Å; L91-K93 VanDerWaalsContact C-N 3.33Å; L91-K93 PolarHBondContact O-N 3.39Å; K93-R97 WeakPolarHBondContact O-CG 3.39Å; K93-R97 PolarHBondContact O-N 3.13Å; K93-R97 VanDerWaalsContact O-N 3.16Å
94F95.4Very high92.7Very high5 Ų570.2 Ų70.22%0.02234%0.336CS..Hα-helixtrans-65.5-48.8174.4168.4-100.2000111.7D90 L91 R92 Q96 R97 I98 Y107 I282 R301 I304D90-F94 WeakPolarHBondContact O-CB 3.44Å; D90-F94 PolarHBondContact O-N 2.9Å; L91-F94 WeakPolarHBondContact O-CB 3.3Å; L91-F94 PolarHBondContact O-N 2.95Å; L91-F94 VanDerWaalsContact O-N 3.12Å; R92-F94 VanDerWaalsContact C-N 3.34Å; F94-Q96 VanDerWaalsContact C-N 3.35Å; F94-Q96 PolarHBondContact O-N 2.71Å; F94-R97 PolarHBondContact O-N 3.22Å; F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CD2-CD1 4.15Å; F94-I98 HydrophobicContact CE1-CD1 3.35Å; F94-I98 HydrophobicContact CE2-CD1 3.61Å; F94-I98 HydrophobicContact CE2-CG1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.3Å; F94-I98 HydrophobicContact CZ-CD1 3.2Å; F94-I98 HydrophobicContact CZ-CG1 4.39Å; F94-I98 WeakPolarHBondContact O-CG1 3.26Å; F94-I98 PolarHBondContact O-N 3.21Å; F94-I98 VanDerWaalsContact O-N 3.1Å; F94-Y107 AromaticContact CE1-CE1 3.88Å; F94-Y107 HydrophobicContact CE1-CE1 3.88Å; F94-I282 HydrophobicContact CE1-CG2 4.2Å; F94-R301 WeakPolarHBondContact CE2-O 3.49Å; F94-I304 HydrophobicContact CB-CD1 3.95Å; F94-I304 HydrophobicContact CD1-CB 4.41Å; F94-I304 HydrophobicContact CD1-CG2 3.6Å; F94-I304 HydrophobicContact CD2-CB 3.89Å; F94-I304 HydrophobicContact CD2-CD1 3.98Å; F94-I304 HydrophobicContact CD2-CG2 4Å; F94-I304 HydrophobicContact CE1-CB 4.29Å; F94-I304 HydrophobicContact CE1-CG2 3.52Å; F94-I304 HydrophobicContact CE2-CB 3.77Å; F94-I304 HydrophobicContact CE2-CG2 3.94Å; F94-I304 HydrophobicContact CG-CB 4.2Å; F94-I304 HydrophobicContact CG-CD1 4.02Å; F94-I304 HydrophobicContact CG-CG2 3.82Å; F94-I304 HydrophobicContact CZ-CB 3.95Å; F94-I304 HydrophobicContact CZ-CG2 3.67Å
95D96.6Very high92.8Very high14 Ų1466.6 Ų66.68%0.07532%0.317CS..Hα-helixtrans-59.8-43.3175.7171.391.6000111.6L91 R92 R97 I98 R99 Y107 I256L91-D95 PolarHBondContact O-N 3.3Å; R92-D95 PolarHBondContact O-N 3.19Å; D95-R97 PolarHBondContact O-N 3.04Å; D95-I98 PolarHBondContact O-N 3.25Å; D95-I98 VanDerWaalsContact O-N 3.17Å; D95-R99 WeakPolarHBondContact O-CG 3.44Å; D95-R99 PolarHBondContact O-N 2.94Å; D95-R99 IonicContact OD1-CZ 3.71Å; D95-R99 IonicContact OD1-NE 3.64Å; D95-R99 PolarHBondContact OD1-NE 3.42Å; D95-R99 IonicContact OD1-NH2 3.77Å; D95-R99 PolarHBondContact OD1-NH2 3.3Å; D95-R99 WeakPolarHBondContact OD2-CD 3.32Å; D95-R99 IonicContact OD2-CZ 2.84Å; D95-R99 IonicContact OD2-NE 3.58Å; D95-R99 PolarHBondContact OD2-NE 2.67Å; D95-R99 IonicContact OD2-NH2 3.21Å; D95-Y107 WeakPolarHBondContact CA-OH 3.2Å; D95-Y107 WeakPolarHBondContact OD1-CE2 3.24Å; D95-Y107 PolarHBondContact OD1-OH 3.13Å; D95-I256 HydrophobicContact CB-CB 3.92Å; D95-I256 HydrophobicContact CB-CD1 3.87Å; D95-I256 HydrophobicContact CB-CG1 3.92Å
96Q95.2Very high93.1Very high105 Ų10569.5 Ų69.549%0.49133%0.33SS..Hα-helixtrans-55.4-51.5174.7-177.6-175.9-700111.9R92 F94 I98 R99 E100R92-Q96 WeakPolarHBondContact O-CB 3.48Å; R92-Q96 PolarHBondContact O-N 2.78Å; F94-Q96 VanDerWaalsContact C-N 3.35Å; F94-Q96 PolarHBondContact O-N 2.71Å; Q96-I98 PolarHBondContact O-N 3.47Å; Q96-R99 PolarHBondContact O-N 3.06Å; Q96-E100 HydrophobicContact CG-CG 4.45Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.49Å; Q96-E100 PolarHBondContact NE2-OE1 3.22Å; Q96-E100 WeakPolarHBondContact O-CB 3.41Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 2.95Å
97R92.8Very high93.6Very high140 Ų14064.5 Ų64.553%0.52831%0.308SS..Hα-helixtrans-60.3-35.5179.5-72.9-172.6-55.7-108.60.2112.5K93 F94 D95 Q101K93-R97 WeakPolarHBondContact O-CG 3.39Å; K93-R97 PolarHBondContact O-N 3.13Å; K93-R97 VanDerWaalsContact O-N 3.16Å; F94-R97 PolarHBondContact O-N 3.22Å; D95-R97 PolarHBondContact O-N 3.04Å; R97-Q101 PolarHBondContact O-N 2.84Å
98I93.9Very high94Very high1 Ų161.5 Ų61.51%0.00529%0.292CS..Hα-helixtrans-67.8-52176.4-72.2177.6000110.1F94 D95 Q96 E100 Q101 I102 V105 Y107 V284 M293F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CD2-CD1 4.15Å; F94-I98 HydrophobicContact CE1-CD1 3.35Å; F94-I98 HydrophobicContact CE2-CD1 3.61Å; F94-I98 HydrophobicContact CE2-CG1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.3Å; F94-I98 HydrophobicContact CZ-CD1 3.2Å; F94-I98 HydrophobicContact CZ-CG1 4.39Å; F94-I98 WeakPolarHBondContact O-CG1 3.26Å; F94-I98 PolarHBondContact O-N 3.21Å; F94-I98 VanDerWaalsContact O-N 3.1Å; D95-I98 PolarHBondContact O-N 3.25Å; D95-I98 VanDerWaalsContact O-N 3.17Å; Q96-I98 PolarHBondContact O-N 3.47Å; I98-E100 VanDerWaalsContact C-N 3.27Å; I98-E100 PolarHBondContact O-N 2.85Å; I98-Q101 PolarHBondContact O-N 3.4Å; I98-I102 HydrophobicContact CG2-CD1 3.58Å; I98-I102 HydrophobicContact CG2-CG1 3.71Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.26Å; I98-I102 PolarHBondContact O-N 3.29Å; I98-V105 HydrophobicContact CG2-CB 3.96Å; I98-V105 HydrophobicContact CG2-CG1 4.01Å; I98-V105 HydrophobicContact CG2-CG2 3.93Å; I98-Y107 HydrophobicContact CD1-CE1 3.71Å; I98-Y107 WeakPolarHBondContact CD1-OH 3.21Å; I98-V284 HydrophobicContact CD1-CG2 3.79Å; I98-V284 HydrophobicContact CG2-CG2 4.16Å; I98-M293 HydrophobicContact CB-CE 4.48Å; I98-M293 HydrophobicContact CD1-CE 4.41Å; I98-M293 HydrophobicContact CG1-CE 3.61Å; I98-M293 HydrophobicContact CG1-SD 4.18Å; I98-M293 HydrophobicContact CG2-SD 4.46Å
99R93.1Very high94.2Very high85 Ų8557.2 Ų57.232%0.32127%0.272SS..Hα-helixtrans-61-35.8-178.5-68.7-178.4-172.8-94.9-15.2113D95 Q96 Q101 G103 V105D95-R99 WeakPolarHBondContact O-CG 3.44Å; D95-R99 PolarHBondContact O-N 2.94Å; D95-R99 IonicContact OD1-CZ 3.71Å; D95-R99 IonicContact OD1-NE 3.64Å; D95-R99 PolarHBondContact OD1-NE 3.42Å; D95-R99 IonicContact OD1-NH2 3.77Å; D95-R99 PolarHBondContact OD1-NH2 3.3Å; D95-R99 WeakPolarHBondContact OD2-CD 3.32Å; D95-R99 IonicContact OD2-CZ 2.84Å; D95-R99 IonicContact OD2-NE 3.58Å; D95-R99 PolarHBondContact OD2-NE 2.67Å; D95-R99 IonicContact OD2-NH2 3.21Å; Q96-R99 PolarHBondContact O-N 3.06Å; R99-Q101 PolarHBondContact O-N 3.41Å; R99-G103 WeakPolarHBondContact CA-O 3.37Å; R99-G103 WeakPolarHBondContact CG-O 3.47Å; R99-G103 WeakPolarHBondContact O-CA 3.42Å; R99-G103 PolarHBondContact O-N 3.2Å; R99-V105 HydrophobicContact CG-CG1 4.28Å
100E91.5Very high94.4Very high138 Ų13852.9 Ų52.965%0.64525%0.249SC*.Hα-helixtrans-62.1-29.8173.9-75.8172.7-17700112.6Q96 I98Q96-E100 HydrophobicContact CG-CG 4.45Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.49Å; Q96-E100 PolarHBondContact NE2-OE1 3.22Å; Q96-E100 WeakPolarHBondContact O-CB 3.41Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 2.95Å; I98-E100 VanDerWaalsContact C-N 3.27Å; I98-E100 PolarHBondContact O-N 2.85Å
101Q87.6Confident94.5Very high81 Ų8151.2 Ų51.238%0.37924%0.24SC..Hα-helixtrans-91.4-43.2-177.6-171.3169.4-7.700113.4R97 I98 R99R97-Q101 PolarHBondContact O-N 2.84Å; I98-Q101 PolarHBondContact O-N 3.4Å; R99-Q101 PolarHBondContact O-N 3.41Å
102I89.5Confident94.5Very high30 Ų3053.1 Ų53.115%0.15425%0.248CC..Hα-helixtrans-123.3-4.4-171.361.2169.8000114.3I98 V105 V284 Q289 M293I98-I102 HydrophobicContact CG2-CD1 3.58Å; I98-I102 HydrophobicContact CG2-CG1 3.71Å; I98-I102 VanDerWaalsContact O-CG1 3.29Å; I98-I102 WeakPolarHBondContact O-CG1 3.26Å; I98-I102 PolarHBondContact O-N 3.29Å; I102-V105 HydrophobicContact CD1-CB 4.29Å; I102-V105 HydrophobicContact CD1-CG2 4.34Å; I102-V284 HydrophobicContact CD1-CG1 4.18Å; I102-V284 HydrophobicContact CD1-CG2 4.48Å; I102-Q289 HydrophobicContact CD1-CB 3.88Å; I102-Q289 HydrophobicContact CD1-CG 4.01Å; I102-M293 HydrophobicContact CD1-SD 4.33Å; I102-M293 HydrophobicContact CG2-CG 4.2Å
103G89.3Confident94.5Very high34 Ų3449.4 Ų49.435%0.35124%0.235SC..SBendtrans77.7-120.9-178.400000113R99R99-G103 WeakPolarHBondContact CA-O 3.37Å; R99-G103 WeakPolarHBondContact CG-O 3.47Å; R99-G103 WeakPolarHBondContact O-CA 3.42Å; R99-G103 PolarHBondContact O-N 3.2Å
104N89.9Confident94.2Very high143 Ų14345.1 Ų45.177%0.76522%0.217SC*.SBendtrans-72.8136.4-178.6-68.9-27.2000110.8
105V94.1Very high94Very high8 Ų844.9 Ų44.95%0.04822%0.216CC..  trans-134.5134.4-175.156.20000110.7I98 R99 I102 Y107 N254 V284I98-V105 HydrophobicContact CG2-CB 3.96Å; I98-V105 HydrophobicContact CG2-CG1 4.01Å; I98-V105 HydrophobicContact CG2-CG2 3.93Å; R99-V105 HydrophobicContact CG-CG1 4.28Å; I102-V105 HydrophobicContact CD1-CB 4.29Å; I102-V105 HydrophobicContact CD1-CG2 4.34Å; V105-Y107 HydrophobicContact CG1-CE1 4.42Å; V105-Y107 HydrophobicContact CG1-CE2 3.71Å; V105-Y107 HydrophobicContact CG2-CD1 4.06Å; V105-Y107 HydrophobicContact CG2-CE1 3.72Å; V105-Y107 HydrophobicContact CG2-CE2 4.23Å; V105-Y107 HydrophobicContact CG2-CG 4.45Å; V105-N254 CarbonylContact O-C 3.48Å; V105-V284 HydrophobicContact CG2-CB 4.44Å; V105-V284 HydrophobicContact CG2-CG1 4.13Å; V105-V284 HydrophobicContact CG2-CG2 4Å
106E97.6Very high93.8Very high60 Ų6046 Ų4628%0.2822%0.222SC..  trans-99.8135.7161.9-174.5-174.656.300108.1R252 N285E106-R252 HydrophobicContact CG-CB 4.49Å; E106-N285 HydrophobicContact CB-CB 4.31Å; E106-N285 HydrophobicContact CG-CB 4.27Å; E106-N285 WeakPolarHBondContact O-CB 3.31Å; E106-N285 PolarHBondContact O-N 3.22Å; E106-N285 PolarHBondContact OE1-ND2 2.83Å
107Y98Very high93.8Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-104143177.9-67.5-67.7000111.5F94 D95 I98 V105 R252 V253 V259 I282 K283 V284F94-Y107 AromaticContact CE1-CE1 3.88Å; F94-Y107 HydrophobicContact CE1-CE1 3.88Å; D95-Y107 WeakPolarHBondContact CA-OH 3.2Å; D95-Y107 WeakPolarHBondContact OD1-CE2 3.24Å; D95-Y107 PolarHBondContact OD1-OH 3.13Å; I98-Y107 HydrophobicContact CD1-CE1 3.71Å; I98-Y107 WeakPolarHBondContact CD1-OH 3.21Å; V105-Y107 HydrophobicContact CG1-CE1 4.42Å; V105-Y107 HydrophobicContact CG1-CE2 3.71Å; V105-Y107 HydrophobicContact CG2-CD1 4.06Å; V105-Y107 HydrophobicContact CG2-CE1 3.72Å; V105-Y107 HydrophobicContact CG2-CE2 4.23Å; V105-Y107 HydrophobicContact CG2-CG 4.45Å; Y107-R252 CarbonylContact O-C 3.57Å; Y107-R252 WeakPolarHBondContact O-CA 3.49Å; Y107-V253 PolarHBondContact N-O 3.09Å; Y107-V253 PolarHBondContact O-N 3.19Å; Y107-V259 HydrophobicContact CD2-CG2 3.76Å; Y107-V259 HydrophobicContact CG-CG2 4.02Å; Y107-I282 HydrophobicContact CD1-CG2 3.64Å; Y107-I282 HydrophobicContact CE1-CG2 4.25Å; Y107-I282 HydrophobicContact CG-CG2 3.92Å; Y107-K283 CarbonylContact C-O 3.46Å; Y107-K283 VanDerWaalsContact CA-O 3.29Å; Y107-K283 WeakPolarHBondContact CA-O 3.49Å; Y107-V284 HydrophobicContact CE1-CG2 4.27Å
108M98Very high94Very high2 Ų235 Ų351%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-99.8115.4164.6-168.170.6-154.100109.2E110 Q232 L236 R250 R252 K283 N285M108-E110 HydrophobicContact CG-CG 4.32Å; M108-Q232 HydrophobicContact CB-CB 4.27Å; M108-Q232 HydrophobicContact CB-CG 3.99Å; M108-Q232 HydrophobicContact CG-CB 4.39Å; M108-Q232 HydrophobicContact CG-CG 3.78Å; M108-L236 HydrophobicContact CE-CD1 4.28Å; M108-R250 HydrophobicContact CE-CB 3.32Å; M108-R250 HydrophobicContact CE-CG 3.37Å; M108-R252 HydrophobicContact SD-CG 3.66Å; M108-K283 HydrophobicContact CB-CB 4.47Å; M108-K283 PolarHBondContact N-O 3.08Å; M108-K283 PolarHBondContact O-N 3.46Å; M108-N285 HydrophobicContact CB-CB 4.27Å
109C98.4Very high94.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-98.3127175.7-63.80000110.4R250 A251 Y262 I280 V281C109-R250 CarbonylContact O-C 3.54Å; C109-R250 VanDerWaalsContact O-CA 3.28Å; C109-R250 WeakPolarHBondContact O-CA 3.48Å; C109-A251 PolarHBondContact N-O 2.54Å; C109-A251 PolarHBondContact O-N 2.85Å; C109-Y262 HydrophobicContact CB-CD1 3.56Å; C109-Y262 HydrophobicContact CB-CD2 4.08Å; C109-Y262 HydrophobicContact CB-CE1 3.61Å; C109-Y262 HydrophobicContact CB-CE2 4.12Å; C109-Y262 HydrophobicContact CB-CG 3.79Å; C109-I280 HydrophobicContact CB-CG2 4.37Å; C109-V281 WeakPolarHBondContact CA-O 3.42Å
110E98.3Very high94.3Very high17 Ų1731 Ų318%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-129.6147.6-179.5-67.1171.6-12900109.9M108 K112 Q232 L236 R250 I280 V281 K283M108-E110 HydrophobicContact CG-CG 4.32Å; E110-K112 PolarHBondContact O-N 2.7Å; E110-Q232 PolarHBondContact OE1-NE2 3.29Å; E110-L236 HydrophobicContact CG-CD1 4.42Å; E110-R250 HydrophobicContact CG-CB 4.24Å; E110-I280 WeakPolarHBondContact O-CA 3.47Å; E110-V281 PolarHBondContact N-O 2.93Å; E110-V281 PolarHBondContact O-N 2.81Å; E110-K283 WeakPolarHBondContact OE1-CD 3.49Å; E110-K283 WeakPolarHBondContact OE1-CE 3.45Å; E110-K283 IonicContact OE1-NZ 2.71Å; E110-K283 PolarHBondContact OE1-NZ 3.03Å; E110-K283 IonicContact OE2-NZ 2.9Å; E110-K283 PolarHBondContact OE2-NZ 3.2Å
111L97.5Very high94.4Very high9 Ų927.4 Ų27.45%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-67.5133.4173.4-61.1-174.4000110.3I113 N249 Y262 W266 L273 Y275 I277 I280L111-I113 HydrophobicContact CB-CD1 4.15Å; L111-I113 PolarHBondContact O-N 3.37Å; L111-N249 HydrophobicContact CD1-CB 3.7Å; L111-N249 HydrophobicContact CG-CB 4.1Å; L111-Y262 HydrophobicContact CD2-CE1 4.39Å; L111-W266 HydrophobicContact CD1-CD2 4.42Å; L111-W266 HydrophobicContact CD1-CE3 4.39Å; L111-W266 HydrophobicContact CD2-CB 3.99Å; L111-W266 HydrophobicContact CD2-CD2 3.63Å; L111-W266 HydrophobicContact CD2-CE3 4.21Å; L111-W266 HydrophobicContact CD2-CG 3.49Å; L111-W266 VanDerWaalsContact CD2-CG 3.49Å; L111-L273 HydrophobicContact CD1-CD1 3.72Å; L111-L273 HydrophobicContact CD1-CD2 4.29Å; L111-Y275 HydrophobicContact CD1-CE2 4.09Å; L111-I277 HydrophobicContact CB-CG2 4.06Å; L111-I277 HydrophobicContact CD1-CG2 4.38Å; L111-I277 HydrophobicContact CD2-CD1 3.99Å; L111-I280 HydrophobicContact CD2-CD1 3.53Å
112K96.3Very high94.7Very high40 Ų4023.6 Ų23.617%0.17413%0.128CC..EExtended strand (participates in β ladder)trans-8496.6175.6-162.5-176.7168.8-62.40109.5E110 I277 D278 G279 V281 A305E110-K112 PolarHBondContact O-N 2.7Å; K112-I277 CarbonylContact O-C 3.57Å; K112-I277 WeakPolarHBondContact O-CA 3.26Å; K112-I277 WeakPolarHBondContact O-CB 3.44Å; K112-D278 WeakPolarHBondContact CB-OD1 3.14Å; K112-D278 WeakPolarHBondContact CD-OD1 3.4Å; K112-D278 WeakPolarHBondContact CE-OD1 3.47Å; K112-D278 WeakPolarHBondContact CG-OD1 3.38Å; K112-D278 IonicContact NZ-OD1 3.37Å; K112-D278 PolarHBondContact NZ-OD1 2.9Å; K112-D278 IonicContact NZ-OD2 2.91Å; K112-D278 PolarHBondContact NZ-OD2 3.18Å; K112-D278 PolarHBondContact O-N 2.77Å; K112-G279 VanDerWaalsContact CB-C 3.41Å; K112-G279 WeakPolarHBondContact CB-O 3.43Å; K112-G279 PolarHBondContact N-O 2.73Å; K112-V281 HydrophobicContact CB-CG2 3.81Å; K112-V281 HydrophobicContact CD-CG2 4.21Å; K112-V281 HydrophobicContact CG-CG2 3.68Å; K112-A305 HydrophobicContact CD-CB 3.93Å
113I95.7Very high94.9Very high13 Ų1324.9 Ų24.97%0.06714%0.138CC..EExtended strand (participates in β ladder)trans-65.7133.6-178-49.9-54.9000110.1L111 G115 E167 Y169 F217 Y275 I277L111-I113 HydrophobicContact CB-CD1 4.15Å; L111-I113 PolarHBondContact O-N 3.37Å; I113-G115 PolarHBondContact O-N 2.71Å; I113-E167 HydrophobicContact CB-CB 3.93Å; I113-E167 HydrophobicContact CB-CG 3.98Å; I113-E167 HydrophobicContact CG2-CB 4.11Å; I113-E167 HydrophobicContact CG2-CG 4.01Å; I113-Y169 HydrophobicContact CG2-CD1 3.95Å; I113-Y169 HydrophobicContact CG2-CG 3.88Å; I113-F217 HydrophobicContact CD1-CD2 3.82Å; I113-F217 HydrophobicContact CD1-CE2 4.28Å; I113-F217 HydrophobicContact CG1-CB 4.41Å; I113-F217 HydrophobicContact CG1-CD2 3.96Å; I113-Y275 HydrophobicContact CD1-CD2 4.08Å; I113-Y275 HydrophobicContact CD1-CE2 3.84Å; I113-I277 HydrophobicContact CD1-CG2 4.1Å
114D89.8Confident94.9Very high23 Ų2327.9 Ų27.912%0.12315%0.145CC..  trans-92.191.9176.9-167.524.1000111R194 D276 D278D114-R194 WeakPolarHBondContact OD1-CB 3.46Å; D114-R194 WeakPolarHBondContact OD1-CD 3.41Å; D114-R194 VanDerWaalsContact OD1-CG 3.27Å; D114-R194 WeakPolarHBondContact OD1-CG 3.18Å; D114-R194 IonicContact OD1-CZ 3.46Å; D114-R194 IonicContact OD1-NE 2.71Å; D114-R194 IonicContact OD1-NH1 2.91Å; D114-R194 PolarHBondContact OD1-NH1 3.25Å; D114-D276 HydrophobicContact CB-CB 4.33Å; D114-D276 PolarHBondContact N-O 3.28Å; D114-D276 VanDerWaalsContact N-O 3.08Å; D114-D278 HydrophobicContact CB-CB 4.36Å
115G91.8Very high95Very high0 Ų021.1 Ų21.10%011%0.109CC..SBendtrans-150.4-139.4-176.900000113.6I113 E167 A168 R194I113-G115 PolarHBondContact O-N 2.71Å; G115-E167 PolarHBondContact N-OE1 3.24Å; G115-A168 WeakPolarHBondContact CA-O 3.32Å; G115-R194 WeakPolarHBondContact O-CG 3.46Å; G115-R194 PolarHBondContact O-NE 3.29Å
116L92.2Very high95.1Very high38 Ų3824.6 Ų24.620%0.19912%0.122CC..EExtended strand (participates in β ladder)trans-125122.4173.5-176.269.1000109.7V118 T132 E167 A168 A198 L201L116-V118 PolarHBondContact O-N 2.97Å; L116-T132 HydrophobicContact CD2-CG2 4Å; L116-E167 PolarHBondContact N-OE1 2.88Å; L116-A168 PolarHBondContact N-O 3.14Å; L116-A168 PolarHBondContact O-N 3.2Å; L116-A198 HydrophobicContact CD2-CB 4.44Å; L116-L201 HydrophobicContact CB-CD1 4.2Å; L116-L201 HydrophobicContact CD2-CB 4.42Å; L116-L201 HydrophobicContact CD2-CD1 3.88Å
117A94.9Very high95Very high13 Ų1322.3 Ų22.311%0.10711%0.112CC..EExtended strand (participates in β ladder)trans-62.3131.2173.900000111.7M79 R133 G166 E167M79-A117 HydrophobicContact CE-CB 4.01Å; A117-R133 HydrophobicContact CB-CB 4.24Å; A117-R133 PolarHBondContact O-N 2.95Å; A117-G166 WeakPolarHBondContact CA-O 3.36Å; A117-E167 VanDerWaalsContact CA-OE2 3.27Å; A117-E167 WeakPolarHBondContact CA-OE2 3.38Å; A117-E167 WeakPolarHBondContact CB-OE2 3.36Å; A117-E167 PolarHBondContact N-OE1 2.88Å; A117-E167 PolarHBondContact N-OE2 3.1Å
118V96.7Very high94.8Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-130.2146.8-179.5-65.10000110.7L116 L120 L131 I142 L146 R165 G166 A168 V216L116-V118 PolarHBondContact O-N 2.97Å; V118-L120 HydrophobicContact CG2-CD2 4.46Å; V118-L131 WeakPolarHBondContact CA-O 3.47Å; V118-I142 HydrophobicContact CG1-CD1 4.22Å; V118-L146 HydrophobicContact CB-CD2 4.48Å; V118-L146 HydrophobicContact CG1-CD2 4.08Å; V118-R165 WeakPolarHBondContact O-CA 3.33Å; V118-G166 PolarHBondContact N-O 2.78Å; V118-G166 PolarHBondContact O-N 2.88Å; V118-A168 HydrophobicContact CG1-CB 3.99Å; V118-A168 HydrophobicContact CG2-CB 4.22Å; V118-V216 HydrophobicContact CG2-CG2 4.19Å
119S96Very high94.7Very high3 Ų328 Ų282%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-109.3137.6167.5-166.20000109.6G130 L131 E163S119-G130 CarbonylContact O-C 3.59Å; S119-G130 WeakPolarHBondContact O-CA 3.32Å; S119-L131 PolarHBondContact N-O 2.91Å; S119-L131 PolarHBondContact O-N 3.39Å; S119-E163 VanDerWaalsContact OG-CD 3.27Å; S119-E163 WeakPolarHBondContact OG-CG 3.49Å; S119-E163 PolarHBondContact OG-OE1 3.16Å
120L96.5Very high94.6Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-124.8115.3-179.2-49.2177000109.3V118 Y122 F127 L146 I152 E163 V164 I218V118-L120 HydrophobicContact CG2-CD2 4.46Å; L120-Y122 HydrophobicContact CB-CD2 4.47Å; L120-Y122 HydrophobicContact CB-CE2 3.79Å; L120-F127 HydrophobicContact CB-CD2 4.33Å; L120-F127 HydrophobicContact CB-CE2 3.85Å; L120-F127 HydrophobicContact CD2-CE2 3.73Å; L120-F127 HydrophobicContact CD2-CZ 3.87Å; L120-F127 HydrophobicContact CG-CE2 4.36Å; L120-L146 HydrophobicContact CD2-CD1 3.72Å; L120-L146 HydrophobicContact CD2-CG 4.5Å; L120-I152 HydrophobicContact CD1-CD1 4.01Å; L120-I152 HydrophobicContact CD1-CG1 4.07Å; L120-I152 HydrophobicContact CD1-CG2 4.05Å; L120-I152 HydrophobicContact CD2-CD1 4.04Å; L120-E163 WeakPolarHBondContact O-CA 3.41Å; L120-V164 HydrophobicContact CB-CG2 3.84Å; L120-V164 HydrophobicContact CD1-CG2 4.18Å; L120-V164 HydrophobicContact CG-CG2 4.38Å; L120-V164 PolarHBondContact N-O 2.9Å; L120-V164 PolarHBondContact O-N 2.95Å; L120-I218 HydrophobicContact CD1-CD1 3.71Å
121K94.7Very high94.5Very high61 Ų6127.4 Ų27.427%0.26514%0.14SC..EExtended strand (participates in β ladder)trans-99.3131.1178.5-173.2171.4-178.7167.50110.6D76 V128 Q129 E163D76-K121 IonicContact OD1-NZ 2.84Å; D76-K121 IonicContact OD2-NZ 2.69Å; D76-K121 PolarHBondContact OD2-NZ 3.43Å; K121-V128 HydrophobicContact CB-CG2 4.29Å; K121-V128 HydrophobicContact CG-CG2 4.04Å; K121-V128 WeakPolarHBondContact O-CG2 3.44Å; K121-V128 PolarHBondContact O-N 2.65Å; K121-Q129 HydrophobicContact CB-CB 4.3Å; K121-Q129 PolarHBondContact N-O 3.41Å; K121-Q129 PolarHBondContact O-N 3.19Å; K121-E163 HydrophobicContact CB-CG 4.5Å
122Y93.9Very high94.3Very high2 Ų227.3 Ų27.31%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-118.5137.5177.1-70.3-101.2000110.4L120 Y126 F127 I152 P153 M156 N161 V162 V164 F244L120-Y122 HydrophobicContact CB-CD2 4.47Å; L120-Y122 HydrophobicContact CB-CE2 3.79Å; Y122-Y126 CarbonylContact C-O 3.56Å; Y122-Y126 WeakPolarHBondContact CA-O 3.4Å; Y122-Y126 VanDerWaalsContact CD1-C 3.49Å; Y122-F127 HydrophobicContact CD1-CB 4.08Å; Y122-F127 HydrophobicContact CD2-CD2 4.5Å; Y122-F127 HydrophobicContact CE1-CB 3.55Å; Y122-F127 HydrophobicContact CE1-CD2 4.38Å; Y122-F127 HydrophobicContact CE1-CG 4.36Å; Y122-F127 AromaticContact CE2-CD2 3.98Å; Y122-F127 HydrophobicContact CE2-CD2 3.98Å; Y122-F127 AromaticContact CZ-CD2 3.91Å; Y122-I152 VanDerWaalsContact OH-CG2 3.31Å; Y122-I152 WeakPolarHBondContact OH-CG2 3.48Å; Y122-P153 VanDerWaalsContact CE1-O 3.22Å; Y122-P153 WeakPolarHBondContact CE1-O 3.48Å; Y122-P153 PolarHBondContact OH-O 3.33Å; Y122-M156 HydrophobicContact CD1-CE 4.05Å; Y122-M156 HydrophobicContact CD1-CG 3.75Å; Y122-M156 HydrophobicContact CD1-SD 4Å; Y122-M156 HydrophobicContact CE1-CG 3.86Å; Y122-M156 HydrophobicContact CE1-SD 4.46Å; Y122-M156 HydrophobicContact CG-CE 4Å; Y122-M156 HydrophobicContact CG-CG 4.4Å; Y122-M156 HydrophobicContact CG-SD 4.04Å; Y122-N161 WeakPolarHBondContact O-CA 3.31Å; Y122-V162 PolarHBondContact N-O 2.79Å; Y122-V162 PolarHBondContact O-N 2.93Å; Y122-V162 VanDerWaalsContact O-N 3.12Å; Y122-V164 HydrophobicContact CE2-CG2 4.33Å; Y122-F244 HydrophobicContact CD2-CE1 4.46Å; Y122-F244 HydrophobicContact CD2-CZ 4.04Å; Y122-F244 HydrophobicContact CE1-CZ 4.4Å; Y122-F244 AromaticContact CE2-CE1 3.57Å; Y122-F244 HydrophobicContact CE2-CE1 3.57Å; Y122-F244 AromaticContact CE2-CZ 3.58Å; Y122-F244 HydrophobicContact CE2-CZ 3.58Å; Y122-F244 AromaticContact CZ-CE1 3.64Å; Y122-F244 AromaticContact CZ-CZ 3.79Å; Y122-F244 WeakPolarHBondContact OH-CE1 3.29Å
123V92.3Very high94Very high57 Ų5729.8 Ų29.835%0.34515%0.148SC..EExtended strand (participates in β ladder)trans-127.6127173.8175.70000108.8G125 Y126 V128 N161V123-G125 PolarHBondContact O-N 3.47Å; V123-G125 VanDerWaalsContact O-N 3.12Å; V123-Y126 PolarHBondContact N-O 3.24Å; V123-Y126 PolarHBondContact O-N 2.57Å; V123-V128 HydrophobicContact CB-CG1 4.06Å; V123-V128 HydrophobicContact CB-CG2 4.27Å; V123-V128 HydrophobicContact CG2-CG1 4.39Å; V123-V128 HydrophobicContact CG2-CG2 3.74Å; V123-N161 WeakPolarHBondContact CA-OD1 3.49Å; V123-N161 WeakPolarHBondContact CG1-OD1 3.45Å
124D91.2Very high93.5Very high96 Ų9630.9 Ų30.951%0.51316%0.163SC..THydrogen-bonded Turntrans48.137.4-174.9-59.9-36.9000113.1Y126 P159 N161D124-Y126 VanDerWaalsContact O-CD2 3.31Å; D124-Y126 WeakPolarHBondContact O-CD2 3.31Å; D124-P159 VanDerWaalsContact C-CA 3.49Å; D124-N161 PolarHBondContact N-OD1 3.14Å
125G92Very high92.9Very high1 Ų133.4 Ų33.41%0.0118%0.176CC..THydrogen-bonded Turntrans87.3-11.6-177.400000115.9V123 K155 M156 L160V123-G125 PolarHBondContact O-N 3.47Å; V123-G125 VanDerWaalsContact O-N 3.12Å; G125-K155 CarbonylContact O-C 3.56Å; G125-K155 VanDerWaalsContact O-CA 3.31Å; G125-K155 WeakPolarHBondContact O-CA 3.19Å; G125-M156 PolarHBondContact O-N 2.93Å; G125-L160 PolarHBondContact N-O 3.32Å
126Y94.5Very high92.2Very high81 Ų8133.8 Ų33.832%0.31818%0.18SC..EExtended strand (participates in β ladder)trans-96.8137.9-175.6-66.3-89.4000112.4V55 D56 Y122 V123 D124 V128 K155V55-Y126 HydrophobicContact CG2-CD1 4.21Å; D56-Y126 HydrophobicContact CB-CD1 4.12Å; D56-Y126 HydrophobicContact CB-CE1 4.15Å; Y122-Y126 CarbonylContact C-O 3.56Å; Y122-Y126 WeakPolarHBondContact CA-O 3.4Å; Y122-Y126 VanDerWaalsContact CD1-C 3.49Å; V123-Y126 PolarHBondContact N-O 3.24Å; V123-Y126 PolarHBondContact O-N 2.57Å; D124-Y126 VanDerWaalsContact O-CD2 3.31Å; D124-Y126 WeakPolarHBondContact O-CD2 3.31Å; Y126-V128 PolarHBondContact O-N 3.21Å; Y126-K155 HydrophobicContact CD1-CB 4.38Å; Y126-K155 HydrophobicContact CD1-CD 4.5Å; Y126-K155 HydrophobicContact CD1-CG 4.45Å; Y126-K155 HydrophobicContact CE1-CB 4.39Å; Y126-K155 HydrophobicContact CE1-CD 3.76Å; Y126-K155 HydrophobicContact CE1-CG 4.17Å; Y126-K155 PolarHBondContact OH-NZ 3.49Å
127F96.1Very high91.5Very high13 Ų1335.6 Ų35.66%0.05719%0.193CC..EExtended strand (participates in β ladder)trans-71.1111.8174.5179.5-130.7000110.5L120 Y122 Q129 T143 L146 K147 L154L120-F127 HydrophobicContact CB-CD2 4.33Å; L120-F127 HydrophobicContact CB-CE2 3.85Å; L120-F127 HydrophobicContact CD2-CE2 3.73Å; L120-F127 HydrophobicContact CD2-CZ 3.87Å; L120-F127 HydrophobicContact CG-CE2 4.36Å; Y122-F127 HydrophobicContact CD1-CB 4.08Å; Y122-F127 HydrophobicContact CD2-CD2 4.5Å; Y122-F127 HydrophobicContact CE1-CB 3.55Å; Y122-F127 HydrophobicContact CE1-CD2 4.38Å; Y122-F127 HydrophobicContact CE1-CG 4.36Å; Y122-F127 AromaticContact CE2-CD2 3.98Å; Y122-F127 HydrophobicContact CE2-CD2 3.98Å; Y122-F127 AromaticContact CZ-CD2 3.91Å; F127-Q129 VanDerWaalsContact CE2-C 3.48Å; F127-Q129 WeakPolarHBondContact CE2-O 3.31Å; F127-T143 HydrophobicContact CE1-CG2 4.09Å; F127-T143 HydrophobicContact CZ-CG2 4.33Å; F127-L146 HydrophobicContact CE1-CB 4.09Å; F127-L146 HydrophobicContact CZ-CB 3.98Å; F127-L146 HydrophobicContact CZ-CD1 4.37Å; F127-K147 HydrophobicContact CD1-CG 3.95Å; F127-K147 HydrophobicContact CE1-CG 3.92Å; F127-L154 HydrophobicContact CD1-CD2 4.01Å; F127-L154 PolarHBondContact N-O 3.34Å
128V94.7Very high90.7Very high72 Ų7236.2 Ų36.244%0.43620%0.195SC..EExtended strand (participates in β ladder)trans-109-29.1-173.5-65.70000114K121 V123 Y126K121-V128 HydrophobicContact CB-CG2 4.29Å; K121-V128 HydrophobicContact CG-CG2 4.04Å; K121-V128 WeakPolarHBondContact O-CG2 3.44Å; K121-V128 PolarHBondContact O-N 2.65Å; V123-V128 HydrophobicContact CB-CG1 4.06Å; V123-V128 HydrophobicContact CB-CG2 4.27Å; V123-V128 HydrophobicContact CG2-CG1 4.39Å; V123-V128 HydrophobicContact CG2-CG2 3.74Å; Y126-V128 PolarHBondContact O-N 3.21Å
129Q95.3Very high90.3Very high48 Ų4836.3 Ų36.322%0.22420%0.196CC..EExtended strand (participates in β ladder)trans-154.7138.9-178.2-178.7170.371.200112.1K121 F127 L131 D141 T143K121-Q129 HydrophobicContact CB-CB 4.3Å; K121-Q129 PolarHBondContact N-O 3.41Å; K121-Q129 PolarHBondContact O-N 3.19Å; F127-Q129 VanDerWaalsContact CE2-C 3.48Å; F127-Q129 WeakPolarHBondContact CE2-O 3.31Å; Q129-L131 HydrophobicContact CG-CD2 3.75Å; Q129-L131 HydrophobicContact CG-CG 4.05Å; Q129-D141 PolarHBondContact NE2-OD2 2.84Å; Q129-D141 VanDerWaalsContact NE2-OD2 3.11Å; Q129-T143 WeakPolarHBondContact CA-OG1 3.29Å
130G96Very high90Very high0 Ų038.1 Ų38.10%021%0.205CC..EExtended strand (participates in β ladder)trans-130.4127.8171.300000112.9S119 I142 T143S119-G130 CarbonylContact O-C 3.59Å; S119-G130 WeakPolarHBondContact O-CA 3.32Å; G130-I142 PolarHBondContact O-N 2.85Å; G130-T143 PolarHBondContact N-OG1 2.96Å; G130-T143 PolarHBondContact O-N 3.49Å
131L95.9Very high89.9Confident6 Ų639.6 Ų39.63%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-119.3144.7-174.3-56.2-175.4000111.7V73 V118 S119 Q129 E140 D141V73-L131 HydrophobicContact CB-CD1 4.06Å; V73-L131 HydrophobicContact CB-CD2 3.82Å; V73-L131 HydrophobicContact CG1-CD1 3.95Å; V73-L131 HydrophobicContact CG1-CD2 4.24Å; V73-L131 HydrophobicContact CG2-CD2 4.24Å; V118-L131 WeakPolarHBondContact CA-O 3.47Å; S119-L131 PolarHBondContact N-O 2.91Å; S119-L131 PolarHBondContact O-N 3.39Å; Q129-L131 HydrophobicContact CG-CD2 3.75Å; Q129-L131 HydrophobicContact CG-CG 4.05Å; L131-E140 WeakPolarHBondContact CA-O 3.22Å; L131-D141 HydrophobicContact CD2-CB 3.85Å
132T94Very high89.9Confident6 Ų636.7 Ų36.74%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-73.6160.1163.166.20000110.9H75 L116 G134 G139 E140 I142H75-T132 PolarHBondContact CE1-O 3.24Å; H75-T132 PolarHBondContact NE2-O 3.22Å; H75-T132 VanDerWaalsContact NE2-O 3.07Å; L116-T132 HydrophobicContact CD2-CG2 4Å; T132-G134 VanDerWaalsContact C-N 3.3Å; T132-G134 PolarHBondContact O-N 2.87Å; T132-G139 WeakPolarHBondContact O-CA 2.87Å; T132-E140 HydrophobicContact CG2-CB 4.35Å; T132-E140 PolarHBondContact N-O 3.19Å; T132-E140 PolarHBondContact OG1-N 2.61Å; T132-I142 HydrophobicContact CG2-CD1 3.51Å; T132-I142 HydrophobicContact CG2-CG1 3.89Å; T132-I142 HydrophobicContact CG2-CG2 3.99Å
133R89.6Confident90Very high92 Ų9237 Ų3735%0.34720%0.202SC..  trans-56.8-40.9174.9-160-17289.1-174.311.5114.1H75 M79 A117 D135 G136H75-R133 PolarHBondContact NE2-O 3.27Å; M79-R133 HydrophobicContact CB-CG 3.62Å; M79-R133 HydrophobicContact CE-CB 4.41Å; M79-R133 HydrophobicContact CE-CG 4.27Å; M79-R133 HydrophobicContact CG-CG 4.46Å; M79-R133 HydrophobicContact SD-CB 4.2Å; M79-R133 HydrophobicContact SD-CG 4.06Å; A117-R133 HydrophobicContact CB-CB 4.24Å; A117-R133 PolarHBondContact O-N 2.95Å; R133-D135 PolarHBondContact O-N 3.01Å; R133-G136 PolarHBondContact O-N 2.97Å
134G85.8Confident90Very high36 Ų3637 Ų3737%0.37120%0.198SC..THydrogen-bonded Turntrans54.2-125.1-170.800000112.8T132 G136 T138T132-G134 VanDerWaalsContact C-N 3.3Å; T132-G134 PolarHBondContact O-N 2.87Å; G134-G136 VanDerWaalsContact C-N 3.32Å; G134-T138 WeakPolarHBondContact CA-O 3.41Å
135D77.1Confident90.2Very high76 Ų7632.5 Ų32.541%0.40617%0.174SC..THydrogen-bonded Turntrans-86.3-117758.719.8000114R133 T137 T138 R438R133-D135 PolarHBondContact O-N 3.01Å; D135-T137 PolarHBondContact OD1-N 3.19Å; D135-T137 PolarHBondContact OD1-OG1 3.33Å; D135-T138 PolarHBondContact N-O 2.94Å; D135-T138 PolarHBondContact OD1-N 3.07Å; D135-R438 VanDerWaalsContact CG-NH2 3.29Å; D135-R438 IonicContact OD2-CZ 2.76Å; D135-R438 VanDerWaalsContact OD2-CZ 3.3Å; D135-R438 IonicContact OD2-NE 2.94Å; D135-R438 PolarHBondContact OD2-NE 2.91Å; D135-R438 IonicContact OD2-NH2 3.74Å; D135-R438 PolarHBondContact OD2-NH2 3.24Å
136G77.2Confident90.4Very high8 Ų832.4 Ų32.48%0.08217%0.173CC..SBendtrans100.1-19.4-175.900000113.6P78 M79 R133 G134P78-G136 CarbonylContact C-O 3.58Å; P78-G136 VanDerWaalsContact CA-O 3.25Å; P78-G136 WeakPolarHBondContact CA-O 3.49Å; M79-G136 PolarHBondContact N-O 3.2Å; M79-G136 VanDerWaalsContact O-CA 3.25Å; M79-G136 WeakPolarHBondContact O-CA 3.45Å; R133-G136 PolarHBondContact O-N 2.97Å; G134-G136 VanDerWaalsContact C-N 3.32Å
137T76.5Confident90.4Very high77 Ų7730.1 Ų30.147%0.47217%0.165SC..SBendtrans-111.5-33174.145.90000112.3N74 H75 D135N74-T137 CarbonylContact C-O 3.56Å; N74-T137 WeakPolarHBondContact CA-O 3.33Å; H75-T137 PolarHBondContact CD2-O 2.91Å; H75-T137 PolarHBondContact N-O 3.25Å; D135-T137 PolarHBondContact OD1-N 3.19Å; D135-T137 PolarHBondContact OD1-OG1 3.33Å
138T78.3Confident90.2Very high25 Ų2530 Ų3015%0.15317%0.165CC..EExtended strand (participates in β ladder)trans-129.1120.2-179.4-490000110K72 V73 N74 G134 D135K72-T138 HydrophobicContact CB-CG2 3.85Å; V73-T138 CarbonylContact O-C 3.47Å; V73-T138 WeakPolarHBondContact O-CA 3.48Å; N74-T138 PolarHBondContact OD1-OG1 2.62Å; G134-T138 WeakPolarHBondContact CA-O 3.41Å; D135-T138 PolarHBondContact N-O 2.94Å; D135-T138 PolarHBondContact OD1-N 3.07Å
139G87.9Confident90.2Very high2 Ų226.6 Ų26.62%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-101.6173.8175.900000113.5K72 V73 T132K72-G139 CarbonylContact C-O 3.55Å; K72-G139 VanDerWaalsContact CA-O 3.3Å; K72-G139 WeakPolarHBondContact CA-O 3.41Å; V73-G139 PolarHBondContact N-O 3.47Å; V73-G139 PolarHBondContact O-N 3.01Å; T132-G139 WeakPolarHBondContact O-CA 2.87Å
140E91Very high90Very high42 Ų4226.3 Ų26.320%0.19614%0.143CC..EExtended strand (participates in β ladder)trans-94.2133164.6-65.1171155.900108.8F70 N71 L131 T132 I142 R202F70-E140 HydrophobicContact CB-CB 4.19Å; N71-E140 WeakPolarHBondContact O-CA 3.43Å; L131-E140 WeakPolarHBondContact CA-O 3.22Å; T132-E140 HydrophobicContact CG2-CB 4.35Å; T132-E140 PolarHBondContact N-O 3.19Å; T132-E140 PolarHBondContact OG1-N 2.61Å; E140-I142 HydrophobicContact CB-CG2 4.43Å; E140-I142 PolarHBondContact O-N 3.37Å; E140-R202 IonicContact OE1-CZ 3.66Å; E140-R202 IonicContact OE1-NE 2.84Å; E140-R202 IonicContact OE1-NH2 2.74Å; E140-R202 PolarHBondContact OE1-NH2 2.9Å; E140-R202 IonicContact OE2-CZ 3.69Å; E140-R202 VanDerWaalsContact OE2-CZ 3.31Å; E140-R202 IonicContact OE2-NE 3.55Å; E140-R202 PolarHBondContact OE2-NE 2.86Å; E140-R202 IonicContact OE2-NH2 3.56Å; E140-R202 PolarHBondContact OE2-NH2 3.2Å; E140-R202 VanDerWaalsContact OE2-NH2 3.15Å
141D94.7Very high89.9Confident31 Ų3126.4 Ų26.417%0.16614%0.144CC..BIsolated β-bridgetrans-73.1112.9172.4-167.9-36.1000110.1F70 N71 V73 Q129 L131 T143F70-D141 VanDerWaalsContact CD1-O 3.26Å; F70-D141 WeakPolarHBondContact CD1-O 3.28Å; N71-D141 PolarHBondContact O-N 2.69Å; V73-D141 HydrophobicContact CG2-CB 3.99Å; Q129-D141 PolarHBondContact NE2-OD2 2.84Å; Q129-D141 VanDerWaalsContact NE2-OD2 3.11Å; L131-D141 HydrophobicContact CD2-CB 3.85Å; D141-T143 VanDerWaalsContact OD1-CB 3.27Å; D141-T143 WeakPolarHBondContact OD1-CB 3.43Å; D141-T143 PolarHBondContact OD1-N 3.23Å; D141-T143 PolarHBondContact OD1-OG1 3.2Å
142I94.6Very high89.8Confident0 Ų026.2 Ų26.20%014%0.143CC..  trans-123.329.7-178.956.3158.5000110.6F70 V118 G130 T132 E140 E144 N145 L146 L201F70-I142 HydrophobicContact CD1-CG2 3.96Å; F70-I142 HydrophobicContact CE1-CG2 3.89Å; F70-I142 HydrophobicContact CZ-CG2 4.43Å; V118-I142 HydrophobicContact CG1-CD1 4.22Å; G130-I142 PolarHBondContact O-N 2.85Å; T132-I142 HydrophobicContact CG2-CD1 3.51Å; T132-I142 HydrophobicContact CG2-CG1 3.89Å; T132-I142 HydrophobicContact CG2-CG2 3.99Å; E140-I142 HydrophobicContact CB-CG2 4.43Å; E140-I142 PolarHBondContact O-N 3.37Å; I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 3Å; I142-N145 HydrophobicContact CB-CB 4.35Å; I142-N145 WeakPolarHBondContact O-CB 3.44Å; I142-N145 PolarHBondContact O-N 2.79Å; I142-N145 VanDerWaalsContact O-N 3.08Å; I142-L146 HydrophobicContact CD1-CD1 3.77Å; I142-L146 HydrophobicContact CD1-CD2 4.2Å; I142-L146 HydrophobicContact CD1-CG 3.86Å; I142-L146 HydrophobicContact CG1-CD1 3.71Å; I142-L146 HydrophobicContact CG1-CG 4.08Å; I142-L146 PolarHBondContact O-N 3.27Å; I142-L201 HydrophobicContact CD1-CB 4.41Å; I142-L201 HydrophobicContact CD1-CD2 4.44Å
143T94.9Very high89.8Confident8 Ų826.8 Ų26.85%0.04915%0.147CC..Hα-helixtrans-53.1-46.7-175.8-580000111.9F127 Q129 G130 D141 N145 L146 K147F127-T143 HydrophobicContact CE1-CG2 4.09Å; F127-T143 HydrophobicContact CZ-CG2 4.33Å; Q129-T143 WeakPolarHBondContact CA-OG1 3.29Å; G130-T143 PolarHBondContact N-OG1 2.96Å; G130-T143 PolarHBondContact O-N 3.49Å; D141-T143 VanDerWaalsContact OD1-CB 3.27Å; D141-T143 WeakPolarHBondContact OD1-CB 3.43Å; D141-T143 PolarHBondContact OD1-N 3.23Å; D141-T143 PolarHBondContact OD1-OG1 3.2Å; T143-N145 VanDerWaalsContact C-N 3.32Å; T143-N145 PolarHBondContact O-N 3.49Å; T143-L146 PolarHBondContact O-N 3.11Å; T143-K147 HydrophobicContact CG2-CD 4.45Å; T143-K147 WeakPolarHBondContact O-CG 3.46Å; T143-K147 PolarHBondContact O-N 3.37Å
144E93.6Very high90Very high58 Ų5822.7 Ų22.727%0.27113%0.132SC..Hα-helixtrans-64.7-34.3-179.7-64.6-54.111900112.9I142 K147 T148I142-E144 VanDerWaalsContact C-N 3.3Å; I142-E144 PolarHBondContact O-N 3Å; E144-K147 IonicContact OE1-NZ 2.78Å; E144-K147 PolarHBondContact OE1-NZ 3.42Å; E144-T148 WeakPolarHBondContact O-CG2 3.49Å
145N94.2Very high90.4Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-71-41.7175.4-59.677.3000111.1I142 T143 T148 L201 Q203 T209I142-N145 HydrophobicContact CB-CB 4.35Å; I142-N145 WeakPolarHBondContact O-CB 3.44Å; I142-N145 PolarHBondContact O-N 2.79Å; I142-N145 VanDerWaalsContact O-N 3.08Å; T143-N145 VanDerWaalsContact C-N 3.32Å; T143-N145 PolarHBondContact O-N 3.49Å; N145-T148 WeakPolarHBondContact O-CB 3.32Å; N145-T148 PolarHBondContact O-N 3.09Å; N145-T148 PolarHBondContact O-OG1 3.37Å; N145-L201 WeakPolarHBondContact CB-O 3.39Å; N145-L201 PolarHBondContact ND2-O 2.75Å; N145-L201 VanDerWaalsContact ND2-O 3.1Å; N145-Q203 PolarHBondContact ND2-O 3.25Å; N145-T209 HydrophobicContact CB-CG2 4.14Å; N145-T209 PolarHBondContact ND2-OG1 3.02Å
146L95.7Very high91Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-68.9-33.3179.7-70.6168.1000112.6V118 L120 F127 I142 T143 T148 I149 I152 L201V118-L146 HydrophobicContact CB-CD2 4.48Å; V118-L146 HydrophobicContact CG1-CD2 4.08Å; L120-L146 HydrophobicContact CD2-CD1 3.72Å; L120-L146 HydrophobicContact CD2-CG 4.5Å; F127-L146 HydrophobicContact CE1-CB 4.09Å; F127-L146 HydrophobicContact CZ-CB 3.98Å; F127-L146 HydrophobicContact CZ-CD1 4.37Å; I142-L146 HydrophobicContact CD1-CD1 3.77Å; I142-L146 HydrophobicContact CD1-CD2 4.2Å; I142-L146 HydrophobicContact CD1-CG 3.86Å; I142-L146 HydrophobicContact CG1-CD1 3.71Å; I142-L146 HydrophobicContact CG1-CG 4.08Å; I142-L146 PolarHBondContact O-N 3.27Å; T143-L146 PolarHBondContact O-N 3.11Å; L146-T148 PolarHBondContact O-N 3.47Å; L146-T148 VanDerWaalsContact O-N 3.1Å; L146-I149 HydrophobicContact CD2-CD1 4.05Å; L146-I149 WeakPolarHBondContact O-CB 3.24Å; L146-I149 PolarHBondContact O-N 3.41Å; L146-I152 HydrophobicContact CB-CD1 4Å; L146-I152 HydrophobicContact CD2-CD1 3.87Å; L146-I152 HydrophobicContact CG-CD1 4.49Å; L146-L201 HydrophobicContact CD2-CD2 3.94Å
147K94.6Very high91.5Very high33 Ų3329.3 Ų29.314%0.14315%0.145CC..Hα-helixtrans-55.7-26.7171.7-76.1172.1175171.30112.9V60 R61 F127 T143 E144 I149 L154V60-K147 HydrophobicContact CG1-CB 4.33Å; V60-K147 HydrophobicContact CG1-CD 3.79Å; V60-K147 HydrophobicContact CG1-CG 4.44Å; R61-K147 WeakPolarHBondContact CG-O 3.41Å; R61-K147 PolarHBondContact NH1-O 2.82Å; F127-K147 HydrophobicContact CD1-CG 3.95Å; F127-K147 HydrophobicContact CE1-CG 3.92Å; T143-K147 HydrophobicContact CG2-CD 4.45Å; T143-K147 WeakPolarHBondContact O-CG 3.46Å; T143-K147 PolarHBondContact O-N 3.37Å; E144-K147 IonicContact OE1-NZ 2.78Å; E144-K147 PolarHBondContact OE1-NZ 3.42Å; K147-I149 VanDerWaalsContact C-N 3.28Å; K147-I149 PolarHBondContact O-N 2.77Å; K147-L154 HydrophobicContact CB-CD2 4.17Å; K147-L154 HydrophobicContact CG-CD2 3.84Å
148T93.7Very high92.1Very high9 Ų930.6 Ų30.66%0.05515%0.146CC..THydrogen-bonded Turntrans-75.9-12.2177.476.10000114.1R61 E144 N145 L146 H150 T209 A210R61-T148 WeakPolarHBondContact O-CB 3.33Å; E144-T148 WeakPolarHBondContact O-CG2 3.49Å; N145-T148 WeakPolarHBondContact O-CB 3.32Å; N145-T148 PolarHBondContact O-N 3.09Å; N145-T148 PolarHBondContact O-OG1 3.37Å; L146-T148 PolarHBondContact O-N 3.47Å; L146-T148 VanDerWaalsContact O-N 3.1Å; T148-H150 PolarHBondContact O-N 3.45Å; T148-T209 WeakPolarHBondContact OG1-CG2 3.48Å; T148-A210 HydrophobicContact CG2-CB 4.02Å
149I94.4Very high92.6Very high2 Ų233.9 Ų33.91%0.0117%0.167CC..  trans-84.8109.3178-58.3-173.5000109.1R61 L146 K147 A151 I152 A168 L201 L214 V216R61-I149 PolarHBondContact NH1-O 2.91Å; R61-I149 VanDerWaalsContact NH1-O 3.16Å; L146-I149 HydrophobicContact CD2-CD1 4.05Å; L146-I149 WeakPolarHBondContact O-CB 3.24Å; L146-I149 PolarHBondContact O-N 3.41Å; K147-I149 VanDerWaalsContact C-N 3.28Å; K147-I149 PolarHBondContact O-N 2.77Å; I149-A151 HydrophobicContact CG2-CB 4.09Å; I149-A151 PolarHBondContact O-N 3.36Å; I149-I152 HydrophobicContact CB-CD1 3.97Å; I149-I152 HydrophobicContact CB-CG1 4.16Å; I149-I152 HydrophobicContact CD1-CD1 4.33Å; I149-I152 HydrophobicContact CG2-CD1 4.28Å; I149-I152 HydrophobicContact CG2-CG1 4.08Å; I149-I152 WeakPolarHBondContact O-CB 3.34Å; I149-I152 PolarHBondContact O-N 2.68Å; I149-A168 HydrophobicContact CD1-CB 4.37Å; I149-L201 HydrophobicContact CD1-CD2 4.05Å; I149-L214 HydrophobicContact CD1-CB 3.84Å; I149-L214 HydrophobicContact CD1-CD1 4.38Å; I149-L214 HydrophobicContact CG1-CB 4.05Å; I149-V216 HydrophobicContact CG2-CG1 4.49Å
150H91.1Very high92.7Very high41 Ų4135.1 Ų35.119%0.1917%0.173CC..THydrogen-bonded Turntrans-59.7-29.1-178.9-75.9-96.5000114.2S19 Y23 T148 I152S19-H150 PolarHBondContact OG-ND1 3.43Å; Y23-H150 HydrophobicContact CD1-CB 4.05Å; Y23-H150 HydrophobicContact CD2-CB 3.32Å; Y23-H150 AromaticContact CD2-CG 3.75Å; Y23-H150 HydrophobicContact CE1-CB 4.29Å; Y23-H150 HydrophobicContact CE2-CB 3.61Å; Y23-H150 AromaticContact CE2-CG 3.48Å; Y23-H150 VanDerWaalsContact CE2-CG 3.48Å; Y23-H150 AromaticContact CE2-ND1 3.59Å; Y23-H150 HydrophobicContact CG-CB 3.57Å; Y23-H150 AromaticContact CZ-CG 3.88Å; T148-H150 PolarHBondContact O-N 3.45Å; H150-I152 PolarHBondContact O-N 3.07Å
151A93Very high92.7Very high3 Ų336.8 Ų36.83%0.02518%0.183CC..THydrogen-bonded Turntrans-71.1-8.5176.800000114.3I149 V216 T245I149-A151 HydrophobicContact CG2-CB 4.09Å; I149-A151 PolarHBondContact O-N 3.36Å; A151-V216 HydrophobicContact CB-CG1 4.03Å; A151-T245 PolarHBondContact O-OG1 3.2Å
152I94.9Very high92.5Very high1 Ų135.7 Ų35.71%0.00518%0.178CC..SBendtrans-96115.1173.2-65.2176.3000108.4R61 L120 Y122 L146 I149 H150 L154 V216R61-I152 PolarHBondContact NH1-O 2.52Å; R61-I152 PolarHBondContact NH2-O 3.11Å; L120-I152 HydrophobicContact CD1-CD1 4.01Å; L120-I152 HydrophobicContact CD1-CG1 4.07Å; L120-I152 HydrophobicContact CD1-CG2 4.05Å; L120-I152 HydrophobicContact CD2-CD1 4.04Å; Y122-I152 VanDerWaalsContact OH-CG2 3.31Å; Y122-I152 WeakPolarHBondContact OH-CG2 3.48Å; L146-I152 HydrophobicContact CB-CD1 4Å; L146-I152 HydrophobicContact CD2-CD1 3.87Å; L146-I152 HydrophobicContact CG-CD1 4.49Å; I149-I152 HydrophobicContact CB-CD1 3.97Å; I149-I152 HydrophobicContact CB-CG1 4.16Å; I149-I152 HydrophobicContact CD1-CD1 4.33Å; I149-I152 HydrophobicContact CG2-CD1 4.28Å; I149-I152 HydrophobicContact CG2-CG1 4.08Å; I149-I152 WeakPolarHBondContact O-CB 3.34Å; I149-I152 PolarHBondContact O-N 2.68Å; H150-I152 PolarHBondContact O-N 3.07Å; I152-L154 PolarHBondContact O-N 2.98Å; I152-V216 HydrophobicContact CD1-CG1 4.33Å; I152-V216 HydrophobicContact CG1-CB 4.28Å; I152-V216 HydrophobicContact CG1-CG1 3.55Å
153P93.6Very high92.4Very high19 Ų1936.7 Ų36.712%0.12318%0.183CC..  trans-64.8128.8174.726.5-32.1000109.9Y122 K155 F244Y122-P153 VanDerWaalsContact CE1-O 3.22Å; Y122-P153 WeakPolarHBondContact CE1-O 3.48Å; Y122-P153 PolarHBondContact OH-O 3.33Å; P153-K155 VanDerWaalsContact C-N 3.29Å; P153-F244 HydrophobicContact CG-CD1 3.82Å; P153-F244 HydrophobicContact CG-CE1 3.77Å; P153-F244 HydrophobicContact CG-CG 4.38Å; P153-F244 HydrophobicContact CG-CZ 4.29Å
154L93.9Very high92.4Very high6 Ų636.3 Ų36.33%0.03118%0.18CC..SBendtrans-76.1-25172.1-62.2-177.1000111.8D56 V60 R61 F127 K147 I152D56-L154 HydrophobicContact CB-CB 3.96Å; V60-L154 HydrophobicContact CB-CD1 4.29Å; R61-L154 HydrophobicContact CG-CD1 4.31Å; F127-L154 HydrophobicContact CD1-CD2 4.01Å; F127-L154 PolarHBondContact N-O 3.34Å; K147-L154 HydrophobicContact CB-CD2 4.17Å; K147-L154 HydrophobicContact CG-CD2 3.84Å; I152-L154 PolarHBondContact O-N 2.98Å
155K92.8Very high92.5Very high110 Ų11035 Ų3548%0.47817%0.173SC..BIsolated β-bridgetrans-135.5126.3173.2178.7174.5177.11750109.1D56 G125 Y126 P153D56-K155 HydrophobicContact CB-CB 4.05Å; D56-K155 WeakPolarHBondContact OD2-CD 3.35Å; G125-K155 CarbonylContact O-C 3.56Å; G125-K155 VanDerWaalsContact O-CA 3.31Å; G125-K155 WeakPolarHBondContact O-CA 3.19Å; Y126-K155 HydrophobicContact CD1-CB 4.38Å; Y126-K155 HydrophobicContact CD1-CD 4.5Å; Y126-K155 HydrophobicContact CD1-CG 4.45Å; Y126-K155 HydrophobicContact CE1-CB 4.39Å; Y126-K155 HydrophobicContact CE1-CD 3.76Å; Y126-K155 HydrophobicContact CE1-CG 4.17Å; Y126-K155 PolarHBondContact OH-NZ 3.49Å; P153-K155 VanDerWaalsContact C-N 3.29Å
156M90.9Very high92.6Very high7 Ų735 Ų353%0.03417%0.173CC..  trans-75.7160.3173.6-63.8-172-6100110.6Y122 G125 E158 L160 V162 F244Y122-M156 HydrophobicContact CD1-CE 4.05Å; Y122-M156 HydrophobicContact CD1-CG 3.75Å; Y122-M156 HydrophobicContact CD1-SD 4Å; Y122-M156 HydrophobicContact CE1-CG 3.86Å; Y122-M156 HydrophobicContact CE1-SD 4.46Å; Y122-M156 HydrophobicContact CG-CE 4Å; Y122-M156 HydrophobicContact CG-CG 4.4Å; Y122-M156 HydrophobicContact CG-SD 4.04Å; G125-M156 PolarHBondContact O-N 2.93Å; M156-E158 WeakPolarHBondContact CB-O 3.41Å; M156-E158 PolarHBondContact O-N 3.01Å; M156-L160 HydrophobicContact CE-CB 4.03Å; M156-L160 VanDerWaalsContact CE-O 3.29Å; M156-L160 WeakPolarHBondContact CE-O 3.22Å; M156-V162 HydrophobicContact CE-CG1 3.92Å; M156-V162 HydrophobicContact SD-CG1 3.99Å; M156-F244 HydrophobicContact CG-CE2 4.17Å; M156-F244 HydrophobicContact CG-CZ 4.06Å; M156-F244 HydrophobicContact SD-CE2 3.5Å; M156-F244 VanDerWaalsContact SD-CE2 3.5Å; M156-F244 HydrophobicContact SD-CZ 3.57Å; M156-F244 VanDerWaalsContact SD-CZ 3.57Å
157K86.9Confident92.7Very high141 Ų14136.2 Ų36.261%0.61318%0.178SC*.SBendtrans-65.6-24.6175.9-63-174.4-167.5157.20113.1K241K157-K241 VanDerWaalsContact CD-O 3.32Å; K157-K241 WeakPolarHBondContact CD-O 3.36Å; K157-K241 WeakPolarHBondContact CE-O 3.34Å; K157-K241 PolarHBondContact NZ-O 2.87Å
158E88.8Confident92.8Very high105 Ų10534.6 Ų34.649%0.49117%0.172SC..SBendtrans-122.4143.8179.8-61.4-175.3-158.600110.4M156 L160 L242M156-E158 WeakPolarHBondContact CB-O 3.41Å; M156-E158 PolarHBondContact O-N 3.01Å; E158-L160 HydrophobicContact CB-CD1 4.28Å; E158-L160 HydrophobicContact CB-CG 3.94Å; E158-L160 PolarHBondContact O-N 3.07Å; E158-L242 HydrophobicContact CB-CD2 3.84Å; E158-L242 HydrophobicContact CG-CD2 3.93Å
159P89.8Confident92.9Very high94 Ų9435.1 Ų35.161%0.6117%0.172SC*.  trans-81.655.6-175.735.8-37000112D124D124-P159 VanDerWaalsContact C-CA 3.49Å
160L89.3Confident92.8Very high28 Ų2835 Ų3515%0.14717%0.172CC..  trans-87.6154-178.2-55.4179.1000111.8G125 M156 E158 D226 L242G125-L160 PolarHBondContact N-O 3.32Å; M156-L160 HydrophobicContact CE-CB 4.03Å; M156-L160 VanDerWaalsContact CE-O 3.29Å; M156-L160 WeakPolarHBondContact CE-O 3.22Å; E158-L160 HydrophobicContact CB-CD1 4.28Å; E158-L160 HydrophobicContact CB-CG 3.94Å; E158-L160 PolarHBondContact O-N 3.07Å; L160-D226 HydrophobicContact CD2-CB 4.35Å; L160-L242 HydrophobicContact CD1-CD1 4.21Å; L160-L242 HydrophobicContact CD1-CD2 4.1Å
161N90.5Very high92.9Very high76 Ų7634.4 Ų34.441%0.40617%0.172SC..  trans-100.8108.5171.1-66.8-60.8000108.7Y122 V123 D124Y122-N161 WeakPolarHBondContact O-CA 3.31Å; V123-N161 WeakPolarHBondContact CA-OD1 3.49Å; V123-N161 WeakPolarHBondContact CG1-OD1 3.45Å; D124-N161 PolarHBondContact N-OD1 3.14Å
162V91.2Very high92.6Very high9 Ų937.1 Ų37.16%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-147.5148.4-175.666.50000112.5Y122 M156 V164 V221 F227Y122-V162 PolarHBondContact N-O 2.79Å; Y122-V162 PolarHBondContact O-N 2.93Å; Y122-V162 VanDerWaalsContact O-N 3.12Å; M156-V162 HydrophobicContact CE-CG1 3.92Å; M156-V162 HydrophobicContact SD-CG1 3.99Å; V162-V164 HydrophobicContact CG1-CG1 4.17Å; V162-V164 HydrophobicContact CG2-CG1 3.89Å; V162-V221 HydrophobicContact CG2-CG1 3.52Å; V162-F227 HydrophobicContact CB-CE2 4.49Å; V162-F227 HydrophobicContact CG2-CD2 4.38Å; V162-F227 HydrophobicContact CG2-CE2 4Å
163E92.4Very high92.4Very high21 Ų2147 Ų4710%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-111.8118.2166-167.9-169.1172.700109T77 S119 L120 K121 N222T77-E163 PolarHBondContact OG1-OE2 3.41Å; S119-E163 VanDerWaalsContact OG-CD 3.27Å; S119-E163 WeakPolarHBondContact OG-CG 3.49Å; S119-E163 PolarHBondContact OG-OE1 3.16Å; L120-E163 WeakPolarHBondContact O-CA 3.41Å; K121-E163 HydrophobicContact CB-CG 4.5Å; E163-N222 HydrophobicContact CB-CB 4.27Å; E163-N222 WeakPolarHBondContact CG-ND2 3.34Å; E163-N222 WeakPolarHBondContact O-CB 3.31Å; E163-N222 PolarHBondContact O-N 3.45Å; E163-N222 PolarHBondContact OE1-ND2 2.84Å; E163-N222 PolarHBondContact OE2-ND2 2.87Å
164V94.9Very high92.3Very high0 Ų046.6 Ų46.60%022%0.216CC..EExtended strand (participates in β ladder)trans-112.1149.7179-56.50000110.5L120 Y122 V162 I218 S220 V221 L239 F244L120-V164 HydrophobicContact CB-CG2 3.84Å; L120-V164 HydrophobicContact CD1-CG2 4.18Å; L120-V164 HydrophobicContact CG-CG2 4.38Å; L120-V164 PolarHBondContact N-O 2.9Å; L120-V164 PolarHBondContact O-N 2.95Å; Y122-V164 HydrophobicContact CE2-CG2 4.33Å; V162-V164 HydrophobicContact CG1-CG1 4.17Å; V162-V164 HydrophobicContact CG2-CG1 3.89Å; V164-I218 HydrophobicContact CB-CG2 3.87Å; V164-I218 HydrophobicContact CG2-CD1 4.27Å; V164-I218 HydrophobicContact CG2-CG2 4.11Å; V164-S220 WeakPolarHBondContact CA-O 3.27Å; V164-V221 HydrophobicContact CG1-CG2 4.38Å; V164-L239 HydrophobicContact CB-CD2 4.48Å; V164-L239 HydrophobicContact CG1-CD2 3.74Å; V164-F244 HydrophobicContact CG1-CE2 4.36Å; V164-F244 HydrophobicContact CG1-CZ 4.24Å; V164-F244 HydrophobicContact CG2-CD1 4.33Å; V164-F244 HydrophobicContact CG2-CE1 3.73Å; V164-F244 HydrophobicContact CG2-CZ 3.94Å
165R95.7Very high92Very high31 Ų3147.5 Ų47.512%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-119143.6177.6-61.3171.6179.6178.13.2111.1T77 P78 M79 V118 I218 Y219 S220 N222T77-R165 PolarHBondContact O-NH2 3.06Å; T77-R165 PolarHBondContact OG1-NH2 2.64Å; P78-R165 VanDerWaalsContact C-NH2 3.34Å; P78-R165 PolarHBondContact O-NH1 3.08Å; P78-R165 PolarHBondContact O-NH2 2.87Å; M79-R165 HydrophobicContact CE-CB 4.5Å; M79-R165 HydrophobicContact CE-CG 4.17Å; V118-R165 WeakPolarHBondContact O-CA 3.33Å; R165-I218 WeakPolarHBondContact O-CG2 3.28Å; R165-Y219 HydrophobicContact CB-CE2 3.89Å; R165-Y219 PolarHBondContact O-N 3.19Å; R165-S220 WeakPolarHBondContact CB-OG 3.48Å; R165-S220 PolarHBondContact N-O 2.9Å; R165-S220 PolarHBondContact O-N 2.79Å; R165-N222 WeakPolarHBondContact CD-OD1 3.36Å; R165-N222 VanDerWaalsContact CG-OD1 3.27Å; R165-N222 WeakPolarHBondContact CG-OD1 3.19Å; R165-N222 VanDerWaalsContact NE-CG 3.34Å; R165-N222 PolarHBondContact NE-ND2 2.82Å; R165-N222 VanDerWaalsContact NE-ND2 3.11Å; R165-N222 PolarHBondContact NE-OD1 2.97Å; R165-N222 PolarHBondContact NH2-ND2 3.42Å
166G96.6Very high91.6Very high0 Ų047.1 Ų47.10%022%0.222CC..EExtended strand (participates in β ladder)trans-152.2179.2-17900000112.6A117 V118 F217 Y219A117-G166 WeakPolarHBondContact CA-O 3.36Å; V118-G166 PolarHBondContact N-O 2.78Å; V118-G166 PolarHBondContact O-N 2.88Å; G166-F217 CarbonylContact C-O 3.58Å; G166-F217 WeakPolarHBondContact CA-O 3.46Å; G166-Y219 VanDerWaalsContact CA-CE1 3.45Å
167E97.4Very high91.5Very high24 Ų2450.3 Ų50.311%0.11223%0.234CC..EExtended strand (participates in β ladder)trans-112.9115.5173.4-158.379.9-17800108.6I113 G115 L116 A117 V216 F217 Y219I113-E167 HydrophobicContact CB-CB 3.93Å; I113-E167 HydrophobicContact CB-CG 3.98Å; I113-E167 HydrophobicContact CG2-CB 4.11Å; I113-E167 HydrophobicContact CG2-CG 4.01Å; G115-E167 PolarHBondContact N-OE1 3.24Å; L116-E167 PolarHBondContact N-OE1 2.88Å; A117-E167 VanDerWaalsContact CA-OE2 3.27Å; A117-E167 WeakPolarHBondContact CA-OE2 3.38Å; A117-E167 WeakPolarHBondContact CB-OE2 3.36Å; A117-E167 PolarHBondContact N-OE1 2.88Å; A117-E167 PolarHBondContact N-OE2 3.1Å; E167-V216 WeakPolarHBondContact O-CA 3.18Å; E167-F217 PolarHBondContact N-O 3.34Å; E167-F217 PolarHBondContact O-N 3.21Å; E167-Y219 HydrophobicContact CB-CE1 4.26Å
168A97.2Very high91.6Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-81.7126.4170.500000109G115 L116 V118 I149 L201 S215G115-A168 WeakPolarHBondContact CA-O 3.32Å; L116-A168 PolarHBondContact N-O 3.14Å; L116-A168 PolarHBondContact O-N 3.2Å; V118-A168 HydrophobicContact CG1-CB 3.99Å; V118-A168 HydrophobicContact CG2-CB 4.22Å; I149-A168 HydrophobicContact CD1-CB 4.37Å; A168-L201 HydrophobicContact CB-CD1 3.52Å; A168-S215 CarbonylContact C-O 3.46Å; A168-S215 WeakPolarHBondContact CA-O 3.37Å
169Y95.4Very high91.2Very high19 Ų1940.1 Ų40.18%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-135.7164-171.673.1-84.1000111.6I113 P171 S215 F217 Y275I113-Y169 HydrophobicContact CG2-CD1 3.95Å; I113-Y169 HydrophobicContact CG2-CG 3.88Å; Y169-P171 HydrophobicContact CD2-CG 4.46Å; Y169-P171 HydrophobicContact CE2-CB 4.46Å; Y169-P171 HydrophobicContact CE2-CG 3.9Å; Y169-S215 PolarHBondContact N-O 3.28Å; Y169-S215 PolarHBondContact O-N 3.11Å; Y169-F217 AromaticContact CD1-CD2 3.99Å; Y169-F217 HydrophobicContact CD1-CD2 3.99Å; Y169-F217 HydrophobicContact CD1-CE2 4.44Å; Y169-F217 AromaticContact CE1-CD2 3.3Å; Y169-F217 HydrophobicContact CE1-CD2 3.3Å; Y169-F217 AromaticContact CE1-CE2 3.48Å; Y169-F217 HydrophobicContact CE1-CE2 3.48Å; Y169-F217 VanDerWaalsContact CE1-CE2 3.48Å; Y169-F217 HydrophobicContact CE1-CG 4.05Å; Y169-F217 HydrophobicContact CE1-CZ 4.33Å; Y169-F217 HydrophobicContact CE2-CE2 4.45Å; Y169-F217 AromaticContact CZ-CD2 3.84Å; Y169-F217 AromaticContact CZ-CE2 3.48Å; Y169-F217 VanDerWaalsContact CZ-CE2 3.48Å; Y169-F217 VanDerWaalsContact OH-CE2 3.24Å; Y169-F217 WeakPolarHBondContact OH-CE2 3.16Å; Y169-F217 WeakPolarHBondContact OH-CZ 3.14Å; Y169-Y275 HydrophobicContact CD2-CG 4.46Å; Y169-Y275 VanDerWaalsContact CE2-CB 3.47Å; Y169-Y275 HydrophobicContact CE2-CD1 4.05Å; Y169-Y275 AromaticContact CE2-CG 3.99Å; Y169-Y275 HydrophobicContact CE2-CG 3.99Å
170M93.3Very high90.8Very high1 Ų140.5 Ų40.51%0.00518%0.183CC..  trans-105.1115.8173.7-173.3170.6-70.400109.2F175 L178 P193 A196 A197 S200 R212 L214M170-F175 HydrophobicContact CG-CB 3.98Å; M170-F175 WeakPolarHBondContact SD-CA 3.41Å; M170-F175 HydrophobicContact SD-CB 3.79Å; M170-F175 HydrophobicContact SD-CD2 4.21Å; M170-L178 HydrophobicContact CE-CD2 3.75Å; M170-L178 HydrophobicContact SD-CD2 3.91Å; M170-P193 HydrophobicContact CB-CB 4.48Å; M170-A196 HydrophobicContact CE-CB 3.8Å; M170-A196 HydrophobicContact SD-CB 3.54Å; M170-A196 VanDerWaalsContact SD-CB 3.54Å; M170-A197 HydrophobicContact CB-CB 4.1Å; M170-S200 WeakPolarHBondContact CE-OG 3.49Å; M170-R212 HydrophobicContact CE-CB 4.19Å; M170-L214 HydrophobicContact CB-CD2 3.93Å; M170-L214 HydrophobicContact CE-CD2 3.55Å; M170-L214 HydrophobicContact CG-CD2 4.27Å
171P93Very high90.6Very high28 Ų2843.7 Ų43.718%0.18220%0.197CC..  trans-54.5144.6172.5-25.333.7000111.3Y169 R173 S174 F175Y169-P171 HydrophobicContact CD2-CG 4.46Å; Y169-P171 HydrophobicContact CE2-CB 4.46Å; Y169-P171 HydrophobicContact CE2-CG 3.9Å; P171-R173 PolarHBondContact O-N 3.35Å; P171-S174 WeakPolarHBondContact O-CA 3.35Å; P171-S174 WeakPolarHBondContact O-CB 3.48Å; P171-S174 PolarHBondContact O-N 3.29Å; P171-F175 PolarHBondContact O-N 2.9Å
172R86.9Confident90.3Very high60 Ų6041.3 Ų41.323%0.22618%0.184CC..Hα-helixtrans-52.3-42.8-177.5-77.5178.5172.6-163.5-15.7112.3S174 F175 L176 E271 L273 P274 D276R172-S174 PolarHBondContact O-N 2.78Å; R172-F175 PolarHBondContact O-N 3.48Å; R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.3Å; R172-E271 IonicContact CZ-OE2 3.85Å; R172-E271 PolarHBondContact NH1-O 3.12Å; R172-E271 IonicContact NH1-OE2 3.72Å; R172-E271 PolarHBondContact NH1-OE2 3.08Å; R172-E271 IonicContact NH2-OE2 2.68Å; R172-E271 PolarHBondContact NH2-OE2 2.71Å; R172-L273 WeakPolarHBondContact CD-O 3.44Å; R172-L273 PolarHBondContact NH1-O 2.85Å; R172-P274 WeakPolarHBondContact CB-O 3.45Å; R172-P274 PolarHBondContact N-O 3.01Å; R172-D276 IonicContact CZ-OD1 2.77Å; R172-D276 VanDerWaalsContact CZ-OD1 3.24Å; R172-D276 IonicContact NE-OD1 3.39Å; R172-D276 PolarHBondContact NE-OD1 3.11Å; R172-D276 IonicContact NH2-OD1 3.76Å; R172-D276 PolarHBondContact NH2-OD1 3.44Å
173R89.9Confident89.7Confident208 Ų20847.2 Ų47.279%0.78521%0.211SC*.Hα-helixtrans-62.3-41.1177.2-172.8178.8178.8-172.5-0.5112.5P171 R177P171-R173 PolarHBondContact O-N 3.35Å; R173-R177 WeakPolarHBondContact O-CB 3.49Å; R173-R177 PolarHBondContact O-N 3.08Å; R173-R177 VanDerWaalsContact O-N 3.12Å
174S91Very high89.2Confident10 Ų1053.7 Ų53.77%0.0724%0.238CC..Hα-helixtrans-67.1-39.9176.2-64.50000111.3P171 R172 L178 K213P171-S174 WeakPolarHBondContact O-CA 3.35Å; P171-S174 WeakPolarHBondContact O-CB 3.48Å; P171-S174 PolarHBondContact O-N 3.29Å; R172-S174 PolarHBondContact O-N 2.78Å; S174-L178 WeakPolarHBondContact O-CB 3.37Å; S174-L178 PolarHBondContact O-N 2.91Å; S174-K213 PolarHBondContact OG-O 3.11Å
175F88.3Confident88.7Confident26 Ų2658.7 Ų58.711%0.11427%0.265CS..Hα-helixtrans-63.1-48.1176.6172.1-108.4000112.7M170 P171 R172 L178 N179 F190 N192 P193 A196M170-F175 HydrophobicContact CG-CB 3.98Å; M170-F175 WeakPolarHBondContact SD-CA 3.41Å; M170-F175 HydrophobicContact SD-CB 3.79Å; M170-F175 HydrophobicContact SD-CD2 4.21Å; P171-F175 PolarHBondContact O-N 2.9Å; R172-F175 PolarHBondContact O-N 3.48Å; F175-L178 PolarHBondContact O-N 3.43Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.45Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.31Å; F175-N179 PolarHBondContact O-N 2.91Å; F175-F190 HydrophobicContact CE2-CB 3.83Å; F175-F190 WeakPolarHBondContact CZ-O 3.5Å; F175-N192 WeakPolarHBondContact CE2-O 3.13Å; F175-P193 HydrophobicContact CB-CB 4.45Å; F175-P193 HydrophobicContact CB-CG 4.18Å; F175-P193 HydrophobicContact CD1-CG 3.81Å; F175-P193 HydrophobicContact CD2-CB 4.41Å; F175-P193 HydrophobicContact CD2-CG 4.14Å; F175-P193 HydrophobicContact CE1-CG 4.18Å; F175-P193 HydrophobicContact CE2-CG 4.48Å; F175-P193 HydrophobicContact CG-CB 4.32Å; F175-P193 HydrophobicContact CG-CG 3.78Å; F175-P193 HydrophobicContact CZ-CG 4.49Å; F175-A196 HydrophobicContact CD2-CB 3.69Å; F175-A196 HydrophobicContact CE2-CB 4.03Å
176L84.8Confident87.9Confident101 Ų10164.9 Ų64.953%0.52930%0.3SS..Hα-helixtrans-60.2-48.3177.2-68.9172.7000111.2R172 L178 N179 E180R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.3Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L176-L178 PolarHBondContact O-N 3.26Å; L176-N179 PolarHBondContact O-N 2.99Å; L176-E180 WeakPolarHBondContact O-CG 3.41Å; L176-E180 PolarHBondContact O-N 3.24Å
177R88.8Confident87Confident74 Ų7469.2 Ų69.228%0.27932%0.321SS..Hα-helixtrans-57.7-45176.4-174.8-179.169.7-130.6-7.9112.1R173 E180 E181R173-R177 WeakPolarHBondContact O-CB 3.49Å; R173-R177 PolarHBondContact O-N 3.08Å; R173-R177 VanDerWaalsContact O-N 3.12Å; R177-E180 PolarHBondContact O-N 2.91Å; R177-E181 IonicContact NE-OE1 2.74Å; R177-E181 WeakPolarHBondContact O-CG 3.27Å; R177-E181 PolarHBondContact O-N 2.93Å
178L87.9Confident85.9Confident10 Ų1076.6 Ų76.65%0.05236%0.355CS..Hα-helixtrans-61.7-44.8178.817662.4000111.5M170 S174 F175 L176 E181 K182 F190 A196M170-L178 HydrophobicContact CE-CD2 3.75Å; M170-L178 HydrophobicContact SD-CD2 3.91Å; S174-L178 WeakPolarHBondContact O-CB 3.37Å; S174-L178 PolarHBondContact O-N 2.91Å; F175-L178 PolarHBondContact O-N 3.43Å; L176-L178 VanDerWaalsContact C-N 3.33Å; L176-L178 PolarHBondContact O-N 3.26Å; L178-E181 PolarHBondContact O-N 3.46Å; L178-K182 HydrophobicContact CD1-CD 4.29Å; L178-K182 HydrophobicContact CD1-CG 4.32Å; L178-K182 HydrophobicContact CG-CD 4.31Å; L178-K182 VanDerWaalsContact O-CG 3.3Å; L178-K182 WeakPolarHBondContact O-CG 3.34Å; L178-K182 PolarHBondContact O-N 3.39Å; L178-F190 HydrophobicContact CD2-CD2 3.69Å; L178-F190 HydrophobicContact CD2-CE2 3.73Å; L178-F190 HydrophobicContact CG-CD2 4.26Å; L178-F190 HydrophobicContact CG-CE2 4.39Å; L178-A196 HydrophobicContact CD2-CB 4.33Å
179N81.3Confident84.9Confident23 Ų2380.3 Ų80.312%0.12337%0.374CS..Hα-helixtrans-67-37.8177.8-86.7-9.1000112F175 L176 E181 K182 E183 L189 F190F175-N179 WeakPolarHBondContact CE2-ND2 3.45Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.31Å; F175-N179 PolarHBondContact O-N 2.91Å; L176-N179 PolarHBondContact O-N 2.99Å; N179-E181 VanDerWaalsContact C-N 3.35Å; N179-E181 PolarHBondContact O-N 2.95Å; N179-K182 PolarHBondContact O-N 3.29Å; N179-E183 WeakPolarHBondContact O-CB 3.32Å; N179-E183 PolarHBondContact O-N 2.74Å; N179-L189 HydrophobicContact CB-CD2 4.23Å; N179-L189 WeakPolarHBondContact O-CD2 3.32Å; N179-F190 PolarHBondContact ND2-O 3.43Å; N179-F190 PolarHBondContact OD1-N 3.23Å
180E81.1Confident84Confident101 Ų10181.5 Ų81.547%0.47238%0.38SS..Hα-helixtrans-61.3-40.5172.2-72.8174-164.400112.5L176 R177 K184L176-E180 WeakPolarHBondContact O-CG 3.41Å; L176-E180 PolarHBondContact O-N 3.24Å; R177-E180 PolarHBondContact O-N 2.91Å; E180-K184 VanDerWaalsContact O-CG 3.28Å; E180-K184 WeakPolarHBondContact O-CG 3.43Å; E180-K184 PolarHBondContact O-N 2.78Å; E180-K184 VanDerWaalsContact O-N 3.12Å
181E86Confident82.9Confident95 Ų9583.3 Ų83.344%0.44440%0.395SS..Hα-helixtrans-64.5-42.5174.7-74.1171-16800111.6R177 L178 N179 K184 N185R177-E181 IonicContact NE-OE1 2.74Å; R177-E181 WeakPolarHBondContact O-CG 3.27Å; R177-E181 PolarHBondContact O-N 2.93Å; L178-E181 PolarHBondContact O-N 3.46Å; N179-E181 VanDerWaalsContact C-N 3.35Å; N179-E181 PolarHBondContact O-N 2.95Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-N185 PolarHBondContact O-N 2.82Å; E181-N185 PolarHBondContact O-ND2 3.43Å
182K83.9Confident82.1Confident27 Ų2783.2 Ų83.212%0.11739%0.393CS..Hα-helixtrans-67.2-40.4177.5-69.3-174.183.764.20112.2L178 N179 K184 N185 D186 E187 Q188 L189 F190L178-K182 HydrophobicContact CD1-CD 4.29Å; L178-K182 HydrophobicContact CD1-CG 4.32Å; L178-K182 HydrophobicContact CG-CD 4.31Å; L178-K182 VanDerWaalsContact O-CG 3.3Å; L178-K182 WeakPolarHBondContact O-CG 3.34Å; L178-K182 PolarHBondContact O-N 3.39Å; N179-K182 PolarHBondContact O-N 3.29Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K184 PolarHBondContact O-N 2.82Å; K182-N185 CarbonylContact O-C 3.51Å; K182-N185 PolarHBondContact O-N 3.37Å; K182-N185 VanDerWaalsContact O-N 3.13Å; K182-D186 PolarHBondContact O-N 3.25Å; K182-E187 HydrophobicContact CB-CB 4.02Å; K182-E187 HydrophobicContact CG-CB 4.37Å; K182-E187 IonicContact NZ-OE2 2.77Å; K182-E187 PolarHBondContact NZ-OE2 3.43Å; K182-E187 PolarHBondContact O-N 3.1Å; K182-Q188 WeakPolarHBondContact CE-O 3.08Å; K182-L189 HydrophobicContact CB-CD2 3.88Å; K182-F190 HydrophobicContact CD-CD2 3.85Å; K182-F190 HydrophobicContact CD-CE2 3.86Å
183E77.2Confident81.9Confident133 Ų13380.6 Ų80.662%0.62138%0.384SS*.Hα-helixtrans-60.5-43.9175.7-169.1169.8-146.500111.3N179 N185 D186 L189N179-E183 WeakPolarHBondContact O-CB 3.32Å; N179-E183 PolarHBondContact O-N 2.74Å; E183-N185 PolarHBondContact O-N 2.97Å; E183-D186 PolarHBondContact O-N 2.82Å; E183-D186 VanDerWaalsContact O-N 3.17Å; E183-L189 HydrophobicContact CB-CD2 3.94Å
184K83.5Confident81.5Confident157 Ų15774.4 Ų74.468%0.68336%0.361SS*.Hα-helixtrans-62.8-23.7175.9-73.5168.5-174.61660113.9E180 E181 K182E180-K184 VanDerWaalsContact O-CG 3.28Å; E180-K184 WeakPolarHBondContact O-CG 3.43Å; E180-K184 PolarHBondContact O-N 2.78Å; E180-K184 VanDerWaalsContact O-N 3.12Å; E181-K184 PolarHBondContact O-N 3.28Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K184 PolarHBondContact O-N 2.82Å
185N84Confident81Confident104 Ų10477.4 Ų77.456%0.55638%0.376SS*.THydrogen-bonded Turntrans-100.89.5-179.9-65.6-18.5000113E181 K182 E183 E187E181-N185 PolarHBondContact O-N 2.82Å; E181-N185 PolarHBondContact O-ND2 3.43Å; K182-N185 CarbonylContact O-C 3.51Å; K182-N185 PolarHBondContact O-N 3.37Å; K182-N185 VanDerWaalsContact O-N 3.13Å; E183-N185 PolarHBondContact O-N 2.97Å; N185-E187 HydrophobicContact CB-CG 3.92Å; N185-E187 PolarHBondContact O-N 2.88Å
186D79.2Confident80.9Confident161 Ų16176.1 Ų76.186%0.86137%0.37SS*.THydrogen-bonded Turntrans54.231.1-174.4-66-53.3000113.5K182 E183K182-D186 PolarHBondContact O-N 3.25Å; E183-D186 PolarHBondContact O-N 2.82Å; E183-D186 VanDerWaalsContact O-N 3.17Å
187E77.1Confident81.2Confident92 Ų9271.3 Ų71.343%0.4335%0.345SS..PPolyproline II helixtrans-92.8152.6178.1-65.7177.8-164.600111.5K182 N185 L189K182-E187 HydrophobicContact CB-CB 4.02Å; K182-E187 HydrophobicContact CG-CB 4.37Å; K182-E187 IonicContact NZ-OE2 2.77Å; K182-E187 PolarHBondContact NZ-OE2 3.43Å; K182-E187 PolarHBondContact O-N 3.1Å; N185-E187 HydrophobicContact CB-CG 3.92Å; N185-E187 PolarHBondContact O-N 2.88Å; E187-L189 PolarHBondContact O-N 2.9Å
188Q73.5Confident81.1Confident178 Ų17869 Ų6983%0.83234%0.341SS*.PPolyproline II helixtrans-62.8121.7176-174.5176.711.500111.5K182K182-Q188 WeakPolarHBondContact CE-O 3.08Å
189L76.5Confident81.1Confident78 Ų7869.6 Ų69.641%0.40835%0.351SS..PPolyproline II helixtrans-65.7149.7177.9-53.4-179.7000112N179 K182 E183 E187N179-L189 HydrophobicContact CB-CD2 4.23Å; N179-L189 WeakPolarHBondContact O-CD2 3.32Å; K182-L189 HydrophobicContact CB-CD2 3.88Å; E183-L189 HydrophobicContact CB-CD2 3.94Å; E187-L189 PolarHBondContact O-N 2.9Å
190F76.3Confident81.6Confident45 Ų4568.5 Ų68.520%0.19735%0.345CS..PPolyproline II helixtrans-75.3135.1167.7-73.6-76.6000110.1F175 L178 N179 K182 N195 A196F175-F190 HydrophobicContact CE2-CB 3.83Å; F175-F190 WeakPolarHBondContact CZ-O 3.5Å; L178-F190 HydrophobicContact CD2-CD2 3.69Å; L178-F190 HydrophobicContact CD2-CE2 3.73Å; L178-F190 HydrophobicContact CG-CD2 4.26Å; L178-F190 HydrophobicContact CG-CE2 4.39Å; N179-F190 PolarHBondContact ND2-O 3.43Å; N179-F190 PolarHBondContact OD1-N 3.23Å; K182-F190 HydrophobicContact CD-CD2 3.85Å; K182-F190 HydrophobicContact CD-CE2 3.86Å; F190-N195 HydrophobicContact CD1-CB 4.47Å; F190-A196 HydrophobicContact CB-CB 3.75Å; F190-A196 HydrophobicContact CD1-CB 4.07Å; F190-A196 HydrophobicContact CD2-CB 3.96Å; F190-A196 HydrophobicContact CG-CB 3.66Å
191A71.1Confident82.1Confident39 Ų3963.7 Ų63.732%0.32232%0.322SS..SBendtrans-71.6-33.7-176.500000113.9G343 T344A191-G343 WeakPolarHBondContact CB-O 3.48Å; A191-G343 CarbonylContact O-C 3.57Å; A191-G343 WeakPolarHBondContact O-CA 3.31Å; A191-T344 HydrophobicContact CB-CG2 3.53Å
192N76.9Confident82.2Confident25 Ų2565.2 Ų65.213%0.13432%0.324CS..SBendtrans-153.6163.5179.558.834.7000111F175 R194 N195 A196F175-N192 WeakPolarHBondContact CE2-O 3.13Å; N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 2.95Å; N192-R194 PolarHBondContact OD1-N 2.96Å; N192-N195 PolarHBondContact O-N 3.48Å; N192-N195 VanDerWaalsContact OD1-CB 3.32Å; N192-N195 WeakPolarHBondContact OD1-CB 3.34Å; N192-N195 VanDerWaalsContact OD1-CG 3.27Å; N192-N195 PolarHBondContact OD1-N 3.09Å; N192-N195 PolarHBondContact OD1-ND2 3.3Å; N192-N195 VanDerWaalsContact OD1-ND2 3.11Å; N192-A196 PolarHBondContact O-N 3.35Å; N192-A196 VanDerWaalsContact O-N 3.11Å
193P80.6Confident82.5Confident5 Ų566.4 Ų66.43%0.03233%0.33CS..Hα-helixtrans-58.1-34.1179.8-30.539.9000114.1M170 F175 A196 A197 D276M170-P193 HydrophobicContact CB-CB 4.48Å; F175-P193 HydrophobicContact CB-CB 4.45Å; F175-P193 HydrophobicContact CB-CG 4.18Å; F175-P193 HydrophobicContact CD1-CG 3.81Å; F175-P193 HydrophobicContact CD2-CB 4.41Å; F175-P193 HydrophobicContact CD2-CG 4.14Å; F175-P193 HydrophobicContact CE1-CG 4.18Å; F175-P193 HydrophobicContact CE2-CG 4.48Å; F175-P193 HydrophobicContact CG-CB 4.32Å; F175-P193 HydrophobicContact CG-CG 3.78Å; F175-P193 HydrophobicContact CZ-CG 4.49Å; P193-A196 WeakPolarHBondContact O-CB 3.46Å; P193-A196 PolarHBondContact O-N 3.05Å; P193-A197 WeakPolarHBondContact O-CB 3.14Å; P193-A197 PolarHBondContact O-N 2.82Å; P193-D276 VanDerWaalsContact CD-OD2 3.28Å; P193-D276 WeakPolarHBondContact CD-OD2 3.29Å; P193-D276 HydrophobicContact CG-CB 4.48Å; P193-D276 WeakPolarHBondContact CG-OD2 3.27Å
194R82.9Confident83Confident78 Ų7863.6 Ų63.629%0.29432%0.319SS..Hα-helixtrans-60-51.8177.5-167.1-156.7-173.2137.9-11.6112.8D114 G115 N192 A196 A197 A198D114-R194 WeakPolarHBondContact OD1-CB 3.46Å; D114-R194 WeakPolarHBondContact OD1-CD 3.41Å; D114-R194 VanDerWaalsContact OD1-CG 3.27Å; D114-R194 WeakPolarHBondContact OD1-CG 3.18Å; D114-R194 IonicContact OD1-CZ 3.46Å; D114-R194 IonicContact OD1-NE 2.71Å; D114-R194 IonicContact OD1-NH1 2.91Å; D114-R194 PolarHBondContact OD1-NH1 3.25Å; G115-R194 WeakPolarHBondContact O-CG 3.46Å; G115-R194 PolarHBondContact O-NE 3.29Å; N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 2.95Å; N192-R194 PolarHBondContact OD1-N 2.96Å; R194-A196 VanDerWaalsContact C-N 3.28Å; R194-A196 PolarHBondContact O-N 3.42Å; R194-A197 PolarHBondContact O-N 2.92Å; R194-A198 WeakPolarHBondContact O-CB 3.49Å; R194-A198 PolarHBondContact O-N 3Å
195N79.7Confident83.3Confident73 Ų7358.4 Ų58.439%0.3930%0.299SS..Hα-helixtrans-65-36.3177.9-73.6-34.2000111.1F190 N192 G199F190-N195 HydrophobicContact CD1-CB 4.47Å; N192-N195 PolarHBondContact O-N 3.48Å; N192-N195 VanDerWaalsContact OD1-CB 3.32Å; N192-N195 WeakPolarHBondContact OD1-CB 3.34Å; N192-N195 VanDerWaalsContact OD1-CG 3.27Å; N192-N195 PolarHBondContact OD1-N 3.09Å; N192-N195 PolarHBondContact OD1-ND2 3.3Å; N192-N195 VanDerWaalsContact OD1-ND2 3.11Å; N195-G199 PolarHBondContact O-N 2.95Å
196A87Confident83.6Confident0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-64.2-43.6174.500000111.8M170 F175 L178 F190 N192 P193 R194 S200M170-A196 HydrophobicContact CE-CB 3.8Å; M170-A196 HydrophobicContact SD-CB 3.54Å; M170-A196 VanDerWaalsContact SD-CB 3.54Å; F175-A196 HydrophobicContact CD2-CB 3.69Å; F175-A196 HydrophobicContact CE2-CB 4.03Å; L178-A196 HydrophobicContact CD2-CB 4.33Å; F190-A196 HydrophobicContact CB-CB 3.75Å; F190-A196 HydrophobicContact CD1-CB 4.07Å; F190-A196 HydrophobicContact CD2-CB 3.96Å; F190-A196 HydrophobicContact CG-CB 3.66Å; N192-A196 PolarHBondContact O-N 3.35Å; N192-A196 VanDerWaalsContact O-N 3.11Å; P193-A196 WeakPolarHBondContact O-CB 3.46Å; P193-A196 PolarHBondContact O-N 3.05Å; R194-A196 VanDerWaalsContact C-N 3.28Å; R194-A196 PolarHBondContact O-N 3.42Å; A196-S200 WeakPolarHBondContact O-CB 3.38Å; A196-S200 PolarHBondContact O-N 2.82Å; A196-S200 PolarHBondContact O-OG 2.94Å
197A90.8Very high84.1Confident0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-63.5-51.5176.400000111.2M170 P193 R194 G199 S200 L201 L214M170-A197 HydrophobicContact CB-CB 4.1Å; P193-A197 WeakPolarHBondContact O-CB 3.14Å; P193-A197 PolarHBondContact O-N 2.82Å; R194-A197 PolarHBondContact O-N 2.92Å; A197-G199 PolarHBondContact O-N 3.44Å; A197-S200 PolarHBondContact O-N 3.15Å; A197-S200 VanDerWaalsContact O-N 3.11Å; A197-L201 PolarHBondContact O-N 3.03Å; A197-L214 HydrophobicContact CB-CD2 4.24Å
198A87.6Confident84.7Confident24 Ų2449.5 Ų49.520%0.19825%0.249CC..Hα-helixtrans-60.8-44.3179.600000112.5L116 R194 S200 R202L116-A198 HydrophobicContact CD2-CB 4.44Å; R194-A198 WeakPolarHBondContact O-CB 3.49Å; R194-A198 PolarHBondContact O-N 3Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.49Å; A198-R202 WeakPolarHBondContact O-CG 3.36Å; A198-R202 PolarHBondContact O-N 2.87Å
199G87.1Confident85.6Confident24 Ų2441 Ų4125%0.24721%0.209CC..Hα-helixtrans-67.1-30.7175.700000113.1N195 A197 Q203N195-G199 PolarHBondContact O-N 2.95Å; A197-G199 PolarHBondContact O-N 3.44Å; G199-Q203 PolarHBondContact O-NE2 2.66Å
200S91.7Very high86.3Confident0 Ų038.7 Ų38.70%020%0.201CC..Hα-helixtrans-75.5-36.7177.6-63.60000112.8M170 A196 A197 A198 R202 Q203 T209 R212M170-S200 WeakPolarHBondContact CE-OG 3.49Å; A196-S200 WeakPolarHBondContact O-CB 3.38Å; A196-S200 PolarHBondContact O-N 2.82Å; A196-S200 PolarHBondContact O-OG 2.94Å; A197-S200 PolarHBondContact O-N 3.15Å; A197-S200 VanDerWaalsContact O-N 3.11Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.49Å; S200-R202 VanDerWaalsContact C-N 3.35Å; S200-Q203 VanDerWaalsContact O-CG 3.31Å; S200-Q203 WeakPolarHBondContact O-CG 3.21Å; S200-T209 WeakPolarHBondContact O-CG2 3.27Å; S200-T209 PolarHBondContact O-OG1 2.89Å; S200-R212 WeakPolarHBondContact OG-CG 3.27Å; S200-R212 PolarHBondContact OG-NH1 2.91Å
201L91.9Very high87Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-72.5-27.8177.3-77.3166.3000113.3L116 I142 N145 L146 I149 A168 A197 Q203 T209 L214L116-L201 HydrophobicContact CB-CD1 4.2Å; L116-L201 HydrophobicContact CD2-CB 4.42Å; L116-L201 HydrophobicContact CD2-CD1 3.88Å; I142-L201 HydrophobicContact CD1-CB 4.41Å; I142-L201 HydrophobicContact CD1-CD2 4.44Å; N145-L201 WeakPolarHBondContact CB-O 3.39Å; N145-L201 PolarHBondContact ND2-O 2.75Å; N145-L201 VanDerWaalsContact ND2-O 3.1Å; L146-L201 HydrophobicContact CD2-CD2 3.94Å; I149-L201 HydrophobicContact CD1-CD2 4.05Å; A168-L201 HydrophobicContact CB-CD1 3.52Å; A197-L201 PolarHBondContact O-N 3.03Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.93Å; L201-T209 HydrophobicContact CD2-CG2 4.47Å; L201-L214 HydrophobicContact CD1-CD1 4.42Å; L201-L214 HydrophobicContact CD2-CD1 3.62Å; L201-L214 HydrophobicContact CG-CD1 3.56Å
202R88.6Confident87.9Confident127 Ų12743.9 Ų43.948%0.47922%0.215SC..THydrogen-bonded Turntrans-97.441.5-176.9-60.5174.575-154.73.7111.5F70 E140 A198 S200F70-R202 HydrophobicContact CE2-CB 4.21Å; E140-R202 IonicContact OE1-CZ 3.66Å; E140-R202 IonicContact OE1-NE 2.84Å; E140-R202 IonicContact OE1-NH2 2.74Å; E140-R202 PolarHBondContact OE1-NH2 2.9Å; E140-R202 IonicContact OE2-CZ 3.69Å; E140-R202 VanDerWaalsContact OE2-CZ 3.31Å; E140-R202 IonicContact OE2-NE 3.55Å; E140-R202 PolarHBondContact OE2-NE 2.86Å; E140-R202 IonicContact OE2-NH2 3.56Å; E140-R202 PolarHBondContact OE2-NH2 3.2Å; E140-R202 VanDerWaalsContact OE2-NH2 3.15Å; A198-R202 WeakPolarHBondContact O-CG 3.36Å; A198-R202 PolarHBondContact O-N 2.87Å; S200-R202 VanDerWaalsContact C-N 3.35Å
203Q90Very high88.6Confident52 Ų5247.6 Ų47.624%0.24323%0.23CC..  trans-96.4127.4173.7-66.8-63.6-53.700109.9F70 N145 G199 S200 L201 D205 L208F70-Q203 WeakPolarHBondContact CZ-O 3.47Å; N145-Q203 PolarHBondContact ND2-O 3.25Å; G199-Q203 PolarHBondContact O-NE2 2.66Å; S200-Q203 VanDerWaalsContact O-CG 3.31Å; S200-Q203 WeakPolarHBondContact O-CG 3.21Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.93Å; Q203-D205 PolarHBondContact O-N 3.01Å; Q203-L208 HydrophobicContact CB-CB 4.33Å; Q203-L208 HydrophobicContact CG-CB 4.25Å
204L87.6Confident89.3Confident74 Ų7448 Ų4839%0.38723%0.233SC..SBendtrans-61.1-30.9176.1-69.1179000112.6Q67 F70Q67-L204 PolarHBondContact N-O 3.12Å; Q67-L204 WeakPolarHBondContact O-CB 3.07Å; F70-L204 HydrophobicContact CD2-CD2 4.21Å; F70-L204 HydrophobicContact CE2-CD2 3.98Å; F70-L204 HydrophobicContact CZ-CD2 4.25Å
205D89.3Confident89.9Confident48 Ų4845 Ų4526%0.25722%0.223SC..SBendtrans-94.9108.6171.7-175.7-3.9000110A66 Q203 K207 L208A66-D205 HydrophobicContact CB-CB 4.06Å; Q203-D205 PolarHBondContact O-N 3.01Å; D205-K207 PolarHBondContact O-N 3.01Å; D205-K207 WeakPolarHBondContact OD1-CB 3.39Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 2.72Å; D205-L208 HydrophobicContact CB-CD1 4.21Å; D205-L208 HydrophobicContact CB-CG 4.18Å; D205-L208 WeakPolarHBondContact O-CB 3.49Å; D205-L208 PolarHBondContact O-N 3.4Å; D205-L208 VanDerWaalsContact O-N 3.07Å
206S90.2Very high90.7Very high3 Ų341.5 Ų41.52%0.02121%0.205CC..Hα-helixtrans-64.5-21.3178.656.30000112.7G63 G64 L208 T209 A210G63-S206 VanDerWaalsContact CA-OG 3.31Å; G63-S206 WeakPolarHBondContact CA-OG 3.49Å; G64-S206 PolarHBondContact N-OG 3.14Å; S206-L208 PolarHBondContact O-N 3.29Å; S206-T209 WeakPolarHBondContact O-CA 3.14Å; S206-T209 VanDerWaalsContact O-CB 3.29Å; S206-T209 WeakPolarHBondContact O-CB 3.15Å; S206-T209 PolarHBondContact O-N 2.87Å; S206-A210 PolarHBondContact O-N 2.81Å
207K90.2Very high91.2Very high101 Ų10142.5 Ų42.544%0.43921%0.209SC..Hα-helixtrans-63.5-32172.7-60.5174.2174.3167.50112.1G64 D205 T209 K211G64-K207 WeakPolarHBondContact O-CE 3.25Å; D205-K207 PolarHBondContact O-N 3.01Å; D205-K207 WeakPolarHBondContact OD1-CB 3.39Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 2.72Å; K207-T209 VanDerWaalsContact C-N 3.34Å; K207-K211 WeakPolarHBondContact O-CG 3.02Å; K207-K211 PolarHBondContact O-N 2.89Å
208L90.1Very high91.5Very high65 Ų6542.6 Ų42.634%0.3421%0.209SC..Hα-helixtrans-67.4-39172.5-66.8177.4000110.7Q203 D205 S206 K211 R212Q203-L208 HydrophobicContact CB-CB 4.33Å; Q203-L208 HydrophobicContact CG-CB 4.25Å; D205-L208 HydrophobicContact CB-CD1 4.21Å; D205-L208 HydrophobicContact CB-CG 4.18Å; D205-L208 WeakPolarHBondContact O-CB 3.49Å; D205-L208 PolarHBondContact O-N 3.4Å; D205-L208 VanDerWaalsContact O-N 3.07Å; S206-L208 PolarHBondContact O-N 3.29Å; L208-K211 PolarHBondContact O-N 2.95Å; L208-R212 VanDerWaalsContact O-CG 3.31Å; L208-R212 WeakPolarHBondContact O-CG 3.38Å
209T92.3Very high91.9Very high1 Ų144.4 Ų44.41%0.00621%0.211CC..Hα-helixtrans-63.2-46.2176.9-50.70000111.2N145 T148 S200 L201 S206 K207 K211 R212 L214N145-T209 HydrophobicContact CB-CG2 4.14Å; N145-T209 PolarHBondContact ND2-OG1 3.02Å; T148-T209 WeakPolarHBondContact OG1-CG2 3.48Å; S200-T209 WeakPolarHBondContact O-CG2 3.27Å; S200-T209 PolarHBondContact O-OG1 2.89Å; L201-T209 HydrophobicContact CD2-CG2 4.47Å; S206-T209 WeakPolarHBondContact O-CA 3.14Å; S206-T209 VanDerWaalsContact O-CB 3.29Å; S206-T209 WeakPolarHBondContact O-CB 3.15Å; S206-T209 PolarHBondContact O-N 2.87Å; K207-T209 VanDerWaalsContact C-N 3.34Å; T209-K211 PolarHBondContact O-N 2.88Å; T209-R212 WeakPolarHBondContact O-CB 3.42Å; T209-R212 PolarHBondContact O-N 3.25Å; T209-L214 HydrophobicContact CG2-CD1 3.96Å
210A90.9Very high92.1Very high29 Ų2944.4 Ų44.424%0.2421%0.208CC..Hα-helixtrans-54.1-40.7179.300000112.3T148 S206 R212 K213T148-A210 HydrophobicContact CG2-CB 4.02Å; S206-A210 PolarHBondContact O-N 2.81Å; A210-R212 PolarHBondContact O-N 2.78Å; A210-K213 PolarHBondContact O-N 3.36Å
211K91.2Very high92Very high155 Ų15544.8 Ų44.867%0.67421%0.21SC*.Hα-helixtrans-65.5-22.6177.7-67.8176.8-176.9-1790113.9K207 L208 T209 K213K207-K211 WeakPolarHBondContact O-CG 3.02Å; K207-K211 PolarHBondContact O-N 2.89Å; L208-K211 PolarHBondContact O-N 2.95Å; T209-K211 PolarHBondContact O-N 2.88Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.44Å
212R89.9Confident91.5Very high37 Ų3746.4 Ų46.414%0.1422%0.219CC..THydrogen-bonded Turntrans-77-13.7-175.5-57.1-64.9-179.494.6-3.6113.2M170 S200 L208 T209 A210 L214M170-R212 HydrophobicContact CE-CB 4.19Å; S200-R212 WeakPolarHBondContact OG-CG 3.27Å; S200-R212 PolarHBondContact OG-NH1 2.91Å; L208-R212 VanDerWaalsContact O-CG 3.31Å; L208-R212 WeakPolarHBondContact O-CG 3.38Å; T209-R212 WeakPolarHBondContact O-CB 3.42Å; T209-R212 PolarHBondContact O-N 3.25Å; A210-R212 PolarHBondContact O-N 2.78Å; R212-L214 VanDerWaalsContact C-N 3.35Å; R212-L214 HydrophobicContact CB-CD2 4.45Å; R212-L214 HydrophobicContact CB-CG 4.22Å; R212-L214 PolarHBondContact O-N 2.85Å
213K90.9Very high90.9Very high103 Ų10342.5 Ų42.545%0.44821%0.207SC..  trans48.655-180-56.2-164.1-174.4-1630111.9S174 A210 K211S174-K213 PolarHBondContact OG-O 3.11Å; A210-K213 PolarHBondContact O-N 3.36Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.44Å
214L95.2Very high90.3Very high15 Ų1542.8 Ų42.88%0.07921%0.208CC..  trans-70.3162.1172.4-61.4176.8000110.5I149 M170 A197 L201 T209 R212I149-L214 HydrophobicContact CD1-CB 3.84Å; I149-L214 HydrophobicContact CD1-CD1 4.38Å; I149-L214 HydrophobicContact CG1-CB 4.05Å; M170-L214 HydrophobicContact CB-CD2 3.93Å; M170-L214 HydrophobicContact CE-CD2 3.55Å; M170-L214 HydrophobicContact CG-CD2 4.27Å; A197-L214 HydrophobicContact CB-CD2 4.24Å; L201-L214 HydrophobicContact CD1-CD1 4.42Å; L201-L214 HydrophobicContact CD2-CD1 3.62Å; L201-L214 HydrophobicContact CG-CD1 3.56Å; T209-L214 HydrophobicContact CG2-CD1 3.96Å; R212-L214 VanDerWaalsContact C-N 3.35Å; R212-L214 HydrophobicContact CB-CD2 4.45Å; R212-L214 HydrophobicContact CB-CG 4.22Å; R212-L214 PolarHBondContact O-N 2.85Å
215S95.9Very high89.7Confident13 Ų1340.3 Ų40.39%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-135.7174.9172.6-169.20000110.1A168 Y169A168-S215 CarbonylContact C-O 3.46Å; A168-S215 WeakPolarHBondContact CA-O 3.37Å; Y169-S215 PolarHBondContact N-O 3.28Å; Y169-S215 PolarHBondContact O-N 3.11Å
216V97.1Very high89Confident1 Ų141.4 Ų41.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-137.8147.317972.90000110.3V118 I149 A151 I152 E167 I218V118-V216 HydrophobicContact CG2-CG2 4.19Å; I149-V216 HydrophobicContact CG2-CG1 4.49Å; A151-V216 HydrophobicContact CB-CG1 4.03Å; I152-V216 HydrophobicContact CD1-CG1 4.33Å; I152-V216 HydrophobicContact CG1-CB 4.28Å; I152-V216 HydrophobicContact CG1-CG1 3.55Å; E167-V216 WeakPolarHBondContact O-CA 3.18Å; V216-I218 HydrophobicContact CG1-CD1 4.38Å; V216-I218 HydrophobicContact CG2-CD1 3.91Å
217F97.7Very high88.3Confident20 Ų2041.7 Ų41.79%0.08820%0.203CC..EExtended strand (participates in β ladder)trans-118.6124159.7-76.2-59.6000109.8I113 G166 E167 Y169 T245 T246 N247 Y275I113-F217 HydrophobicContact CD1-CD2 3.82Å; I113-F217 HydrophobicContact CD1-CE2 4.28Å; I113-F217 HydrophobicContact CG1-CB 4.41Å; I113-F217 HydrophobicContact CG1-CD2 3.96Å; G166-F217 CarbonylContact C-O 3.58Å; G166-F217 WeakPolarHBondContact CA-O 3.46Å; E167-F217 PolarHBondContact N-O 3.34Å; E167-F217 PolarHBondContact O-N 3.21Å; Y169-F217 AromaticContact CD1-CD2 3.99Å; Y169-F217 HydrophobicContact CD1-CD2 3.99Å; Y169-F217 HydrophobicContact CD1-CE2 4.44Å; Y169-F217 AromaticContact CE1-CD2 3.3Å; Y169-F217 HydrophobicContact CE1-CD2 3.3Å; Y169-F217 AromaticContact CE1-CE2 3.48Å; Y169-F217 HydrophobicContact CE1-CE2 3.48Å; Y169-F217 VanDerWaalsContact CE1-CE2 3.48Å; Y169-F217 HydrophobicContact CE1-CG 4.05Å; Y169-F217 HydrophobicContact CE1-CZ 4.33Å; Y169-F217 HydrophobicContact CE2-CE2 4.45Å; Y169-F217 AromaticContact CZ-CD2 3.84Å; Y169-F217 AromaticContact CZ-CE2 3.48Å; Y169-F217 VanDerWaalsContact CZ-CE2 3.48Å; Y169-F217 VanDerWaalsContact OH-CE2 3.24Å; Y169-F217 WeakPolarHBondContact OH-CE2 3.16Å; Y169-F217 WeakPolarHBondContact OH-CZ 3.14Å; F217-T245 CarbonylContact C-O 3.52Å; F217-T245 WeakPolarHBondContact CA-O 3.13Å; F217-T245 HydrophobicContact CD1-CG2 3.86Å; F217-T245 HydrophobicContact CE1-CG2 3.78Å; F217-T246 VanDerWaalsContact CD1-C 3.42Å; F217-N247 HydrophobicContact CD1-CB 3.98Å; F217-N247 HydrophobicContact CD2-CB 4.45Å; F217-N247 HydrophobicContact CE1-CB 4.2Å; F217-N247 HydrophobicContact CG-CB 4.11Å; F217-Y275 AromaticContact CE2-CD1 3.89Å; F217-Y275 HydrophobicContact CE2-CD1 3.89Å; F217-Y275 AromaticContact CE2-CE1 3.62Å; F217-Y275 HydrophobicContact CE2-CE1 3.62Å; F217-Y275 HydrophobicContact CE2-CE2 4.29Å; F217-Y275 HydrophobicContact CE2-CG 4.38Å; F217-Y275 AromaticContact CE2-CZ 3.85Å; F217-Y275 HydrophobicContact CZ-CD1 4.37Å; F217-Y275 AromaticContact CZ-CE1 3.81Å; F217-Y275 HydrophobicContact CZ-CE1 3.81Å
218I97.2Very high87.7Confident3 Ų343.7 Ų43.72%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-82.9134.8172.7-51.9-53.5000109L120 V164 R165 V216 L239 F244 T245L120-I218 HydrophobicContact CD1-CD1 3.71Å; V164-I218 HydrophobicContact CB-CG2 3.87Å; V164-I218 HydrophobicContact CG2-CD1 4.27Å; V164-I218 HydrophobicContact CG2-CG2 4.11Å; R165-I218 WeakPolarHBondContact O-CG2 3.28Å; V216-I218 HydrophobicContact CG1-CD1 4.38Å; V216-I218 HydrophobicContact CG2-CD1 3.91Å; I218-L239 HydrophobicContact CG2-CD1 3.72Å; I218-L239 HydrophobicContact CG2-CD2 4.09Å; I218-F244 HydrophobicContact CB-CB 4.37Å; I218-F244 HydrophobicContact CD1-CD1 4.46Å; I218-F244 HydrophobicContact CG1-CB 3.94Å; I218-F244 HydrophobicContact CG1-CD1 3.79Å; I218-F244 HydrophobicContact CG1-CG 4.15Å; I218-T245 PolarHBondContact N-O 2.99Å
219Y95.3Very high87.6Confident61 Ų6141.2 Ų41.224%0.23921%0.207CC..EExtended strand (participates in β ladder)trans-130.1-9.9-174.361.3-118000114.3R165 G166 E167 Q232 K283R165-Y219 HydrophobicContact CB-CE2 3.89Å; R165-Y219 PolarHBondContact O-N 3.19Å; G166-Y219 VanDerWaalsContact CA-CE1 3.45Å; E167-Y219 HydrophobicContact CB-CE1 4.26Å; Y219-Q232 PolarHBondContact O-NE2 3.1Å; Y219-K283 PolarHBondContact O-NZ 2.87Å
220S91.8Very high87.4Confident24 Ų2448.5 Ų48.517%0.16823%0.234CC..EExtended strand (participates in β ladder)trans-158.3157.4176.863.30000113V164 R165V164-S220 WeakPolarHBondContact CA-O 3.27Å; R165-S220 WeakPolarHBondContact CB-OG 3.48Å; R165-S220 PolarHBondContact N-O 2.9Å; R165-S220 PolarHBondContact O-N 2.79Å
221V89.8Confident87.6Confident8 Ų847.7 Ų47.75%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-109.8137.9169.8-175.20000107.9V162 V164 D223 F224 F227 L239V162-V221 HydrophobicContact CG2-CG1 3.52Å; V164-V221 HydrophobicContact CG1-CG2 4.38Å; V221-D223 VanDerWaalsContact CG1-O 3.25Å; V221-D223 WeakPolarHBondContact CG1-O 3.2Å; V221-F224 HydrophobicContact CB-CD1 4.32Å; V221-F224 HydrophobicContact CB-CE1 3.85Å; V221-F224 HydrophobicContact CB-CZ 4.01Å; V221-F224 HydrophobicContact CG2-CE1 4.32Å; V221-F227 HydrophobicContact CG1-CD2 4.27Å; V221-F227 HydrophobicContact CG1-CE2 4.4Å; V221-F227 HydrophobicContact CG2-CD1 4.2Å; V221-F227 HydrophobicContact CG2-CE1 3.89Å; V221-F227 HydrophobicContact CG2-CE2 4.43Å; V221-F227 HydrophobicContact CG2-CZ 3.99Å; V221-L239 HydrophobicContact CG2-CD1 3.9Å; V221-L239 HydrophobicContact CG2-CD2 4Å; V221-L239 HydrophobicContact CG2-CG 4.04Å
222N81.6Confident87.8Confident35 Ų3540.5 Ų40.519%0.18720%0.195CC..SBendtrans-81.9-37.4-178.1-660.6000112.5T77 E163 R165T77-N222 PolarHBondContact OG1-ND2 2.94Å; E163-N222 HydrophobicContact CB-CB 4.27Å; E163-N222 WeakPolarHBondContact CG-ND2 3.34Å; E163-N222 WeakPolarHBondContact O-CB 3.31Å; E163-N222 PolarHBondContact O-N 3.45Å; E163-N222 PolarHBondContact OE1-ND2 2.84Å; E163-N222 PolarHBondContact OE2-ND2 2.87Å; R165-N222 WeakPolarHBondContact CD-OD1 3.36Å; R165-N222 VanDerWaalsContact CG-OD1 3.27Å; R165-N222 WeakPolarHBondContact CG-OD1 3.19Å; R165-N222 VanDerWaalsContact NE-CG 3.34Å; R165-N222 PolarHBondContact NE-ND2 2.82Å; R165-N222 VanDerWaalsContact NE-ND2 3.11Å; R165-N222 PolarHBondContact NE-OD1 2.97Å; R165-N222 PolarHBondContact NH2-ND2 3.42Å
223D75.7Confident88Confident45 Ų4539.2 Ų39.224%0.24119%0.192CC..  trans-129.9117.6-179.1-166.7-16000109.3V221 T225V221-D223 VanDerWaalsContact CG1-O 3.25Å; V221-D223 WeakPolarHBondContact CG1-O 3.2Å; D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 VanDerWaalsContact OD1-CB 3.25Å; D223-T225 WeakPolarHBondContact OD1-CB 3.13Å; D223-T225 PolarHBondContact OD1-N 2.98Å; D223-T225 PolarHBondContact OD1-OG1 2.81Å; D223-T225 PolarHBondContact OD2-OG1 3.05Å
224F77Confident88.2Confident58 Ų5838.2 Ų38.225%0.25419%0.189SC..  trans-86.25.4178.8-66.9-83.9000112.8V221 D226 F227 A229 A235 L287V221-F224 HydrophobicContact CB-CD1 4.32Å; V221-F224 HydrophobicContact CB-CE1 3.85Å; V221-F224 HydrophobicContact CB-CZ 4.01Å; V221-F224 HydrophobicContact CG2-CE1 4.32Å; F224-D226 PolarHBondContact O-N 2.86Å; F224-F227 HydrophobicContact CB-CB 4.46Å; F224-F227 HydrophobicContact CD1-CB 4.04Å; F224-F227 PolarHBondContact O-N 2.62Å; F224-F227 VanDerWaalsContact O-O 3.05Å; F224-A229 HydrophobicContact CD1-CB 4.48Å; F224-A235 HydrophobicContact CE1-CB 3.64Å; F224-A235 HydrophobicContact CZ-CB 4.35Å; F224-L287 HydrophobicContact CD1-CD1 3.75Å; F224-L287 HydrophobicContact CD2-CD1 4.19Å; F224-L287 HydrophobicContact CE1-CD1 3.54Å; F224-L287 HydrophobicContact CE1-CD2 4.43Å; F224-L287 HydrophobicContact CE2-CD1 4Å; F224-L287 HydrophobicContact CE2-CD2 4.04Å; F224-L287 HydrophobicContact CG-CD1 4.07Å; F224-L287 HydrophobicContact CZ-CD1 3.67Å; F224-L287 HydrophobicContact CZ-CD2 3.78Å; F224-L287 HydrophobicContact CZ-CG 4.39Å
225T74.3Confident88.2Confident22 Ų2237.6 Ų37.614%0.13519%0.186CC..THydrogen-bonded Turntrans-52.2-43.9-178.3-60.70000111.2D223 K601D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 VanDerWaalsContact OD1-CB 3.25Å; D223-T225 WeakPolarHBondContact OD1-CB 3.13Å; D223-T225 PolarHBondContact OD1-N 2.98Å; D223-T225 PolarHBondContact OD1-OG1 2.81Å; D223-T225 PolarHBondContact OD2-OG1 3.05Å; T225-K601 WeakPolarHBondContact O-CD 3.4Å; T225-K601 WeakPolarHBondContact O-CE 3.43Å; T225-K601 PolarHBondContact O-NZ 3.11Å
226D74.1Confident88.1Confident70 Ų7037.1 Ų37.137%0.37418%0.183SC..THydrogen-bonded Turntrans-96.75.3178.6-72.5-20.1000114.4L160 F224L160-D226 HydrophobicContact CD2-CB 4.35Å; F224-D226 PolarHBondContact O-N 2.86Å
227F75.3Confident88Confident10 Ų1040.4 Ų40.44%0.04420%0.2CC..  trans-105.1137.3-179.6-100.9-115.2000111.4V162 V221 F224 A229 E238 L239 L242V162-F227 HydrophobicContact CB-CE2 4.49Å; V162-F227 HydrophobicContact CG2-CD2 4.38Å; V162-F227 HydrophobicContact CG2-CE2 4Å; V221-F227 HydrophobicContact CG1-CD2 4.27Å; V221-F227 HydrophobicContact CG1-CE2 4.4Å; V221-F227 HydrophobicContact CG2-CD1 4.2Å; V221-F227 HydrophobicContact CG2-CE1 3.89Å; V221-F227 HydrophobicContact CG2-CE2 4.43Å; V221-F227 HydrophobicContact CG2-CZ 3.99Å; F224-F227 HydrophobicContact CB-CB 4.46Å; F224-F227 HydrophobicContact CD1-CB 4.04Å; F224-F227 PolarHBondContact O-N 2.62Å; F224-F227 VanDerWaalsContact O-O 3.05Å; F227-A229 PolarHBondContact O-N 3.32Å; F227-E238 HydrophobicContact CD1-CB 3.88Å; F227-E238 HydrophobicContact CD1-CG 3.61Å; F227-E238 WeakPolarHBondContact CD1-OE2 3.37Å; F227-E238 HydrophobicContact CE1-CB 3.67Å; F227-E238 HydrophobicContact CE1-CG 3.5Å; F227-E238 VanDerWaalsContact CE1-CG 3.5Å; F227-E238 HydrophobicContact CG-CG 4.44Å; F227-E238 HydrophobicContact CZ-CG 4.27Å; F227-L239 HydrophobicContact CE1-CD2 4.19Å; F227-L239 HydrophobicContact CE1-CG 3.99Å; F227-L239 HydrophobicContact CZ-CD2 3.77Å; F227-L239 HydrophobicContact CZ-CG 4.09Å; F227-L242 HydrophobicContact CE1-CD1 4.13Å; F227-L242 HydrophobicContact CE2-CD1 3.64Å; F227-L242 HydrophobicContact CZ-CD1 3.29Å
228N79.3Confident87.8Confident142 Ų14240.9 Ų40.976%0.75920%0.203SC*.  trans-97.162.2175.8-168.825000111.3E238N228-E238 VanDerWaalsContact C-OE2 3.32Å; N228-E238 PolarHBondContact N-OE1 3.24Å; N228-E238 PolarHBondContact N-OE2 2.8Å
229A86.4Confident87.6Confident13 Ų1340.8 Ų40.811%0.10720%0.202CC..  trans-127.2133.9179.200000111.3F224 F227 E234 A235 L287F224-A229 HydrophobicContact CD1-CB 4.48Å; F227-A229 PolarHBondContact O-N 3.32Å; A229-E234 HydrophobicContact CB-CB 3.91Å; A229-A235 HydrophobicContact CB-CB 3.9Å; A229-L287 HydrophobicContact CB-CD1 4.47Å; A229-L287 WeakPolarHBondContact O-CD1 3.49Å
230R89.8Confident87.5Confident155 Ų15538.9 Ų38.959%0.58520%0.196SC*.SBendtrans-104.9-12.2172.6-64.8-177.9173.6-179.2-5.2112.4E234 L287 D637R230-E234 WeakPolarHBondContact CA-OE2 3.46Å; R230-E234 PolarHBondContact N-OE2 3.13Å; R230-L287 PolarHBondContact O-N 2.91Å; R230-D637 IonicContact CZ-OD2 2.94Å; R230-D637 IonicContact NH2-OD2 2.75Å; R230-D637 PolarHBondContact NH2-OD2 2.57Å
231S93.8Very high87.5Confident11 Ų1144.8 Ų44.88%0.07722%0.219CC..BIsolated β-bridgetrans-133.3158176.767.50000112.7S233 E234 A235 N285S231-S233 PolarHBondContact O-N 3.01Å; S231-E234 PolarHBondContact N-OE2 3.4Å; S231-E234 PolarHBondContact O-N 2.93Å; S231-E234 VanDerWaalsContact O-N 3.15Å; S231-E234 VanDerWaalsContact OG-CG 3.32Å; S231-E234 WeakPolarHBondContact OG-CG 3.35Å; S231-E234 PolarHBondContact OG-N 3.02Å; S231-A235 PolarHBondContact O-N 2.97Å; S231-N285 CarbonylContact C-O 3.57Å; S231-N285 WeakPolarHBondContact CA-O 3.46Å; S231-N285 VanDerWaalsContact CB-O 3.3Å; S231-N285 WeakPolarHBondContact CB-O 3.38Å
232Q95Very high87.6Confident4 Ų444.5 Ų44.52%0.01922%0.217CC..Hα-helixtrans-56.4-39.4172.8174.864.814.200111.4M108 E110 Y219 A235 L236 K283 N285M108-Q232 HydrophobicContact CB-CB 4.27Å; M108-Q232 HydrophobicContact CB-CG 3.99Å; M108-Q232 HydrophobicContact CG-CB 4.39Å; M108-Q232 HydrophobicContact CG-CG 3.78Å; E110-Q232 PolarHBondContact OE1-NE2 3.29Å; Y219-Q232 PolarHBondContact O-NE2 3.1Å; Q232-A235 PolarHBondContact O-N 3.36Å; Q232-L236 HydrophobicContact CG-CD1 4.34Å; Q232-L236 VanDerWaalsContact O-CG 3.27Å; Q232-L236 WeakPolarHBondContact O-CG 3.35Å; Q232-L236 PolarHBondContact O-N 2.69Å; Q232-K283 HydrophobicContact CG-CD 4.03Å; Q232-N285 PolarHBondContact N-O 2.59Å; Q232-N285 PolarHBondContact N-OD1 2.85Å
233S95.7Very high88Confident10 Ų1043.2 Ų43.27%0.0721%0.212CC..Hα-helixtrans-61.3-47.4174.6-172.90000112S231 A235 L236 D237 N285S231-S233 PolarHBondContact O-N 3.01Å; S233-A235 VanDerWaalsContact C-N 3.32Å; S233-A235 PolarHBondContact O-N 3.49Å; S233-L236 PolarHBondContact O-N 2.74Å; S233-D237 VanDerWaalsContact O-CG 3.26Å; S233-D237 PolarHBondContact O-N 3.08Å; S233-N285 PolarHBondContact N-OD1 2.76Å
234E95Very high88.9Confident83 Ų8341.1 Ų41.139%0.38820%0.2SC..Hα-helixtrans-63.5-39.5178.3-74.2169.2178.500111.5A229 R230 S231 L236 D237 E238A229-E234 HydrophobicContact CB-CB 3.91Å; R230-E234 WeakPolarHBondContact CA-OE2 3.46Å; R230-E234 PolarHBondContact N-OE2 3.13Å; S231-E234 PolarHBondContact N-OE2 3.4Å; S231-E234 PolarHBondContact O-N 2.93Å; S231-E234 VanDerWaalsContact O-N 3.15Å; S231-E234 VanDerWaalsContact OG-CG 3.32Å; S231-E234 WeakPolarHBondContact OG-CG 3.35Å; S231-E234 PolarHBondContact OG-N 3.02Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.39Å; E234-D237 PolarHBondContact O-N 3.41Å; E234-E238 WeakPolarHBondContact O-CB 3.4Å; E234-E238 PolarHBondContact O-N 2.77Å
235A94.1Very high89.7Confident2 Ų238.7 Ų38.72%0.01719%0.19CC..Hα-helixtrans-60.2-43.4175.900000112.1F224 A229 S231 Q232 S233 E238 L239F224-A235 HydrophobicContact CE1-CB 3.64Å; F224-A235 HydrophobicContact CZ-CB 4.35Å; A229-A235 HydrophobicContact CB-CB 3.9Å; S231-A235 PolarHBondContact O-N 2.97Å; Q232-A235 PolarHBondContact O-N 3.36Å; S233-A235 VanDerWaalsContact C-N 3.32Å; S233-A235 PolarHBondContact O-N 3.49Å; A235-E238 PolarHBondContact O-N 2.7Å; A235-L239 WeakPolarHBondContact O-CB 3.26Å; A235-L239 VanDerWaalsContact O-CG 3.27Å; A235-L239 WeakPolarHBondContact O-CG 3.3Å; A235-L239 PolarHBondContact O-N 3.3Å
236L95.1Very high90.7Very high3 Ų337.7 Ų37.72%0.01618%0.184CC..Hα-helixtrans-68.3-35.2176.7-66.4171.1000112.2M108 E110 Q232 S233 E234 L239 D240 T246 R250M108-L236 HydrophobicContact CE-CD1 4.28Å; E110-L236 HydrophobicContact CG-CD1 4.42Å; Q232-L236 HydrophobicContact CG-CD1 4.34Å; Q232-L236 VanDerWaalsContact O-CG 3.27Å; Q232-L236 WeakPolarHBondContact O-CG 3.35Å; Q232-L236 PolarHBondContact O-N 2.69Å; S233-L236 PolarHBondContact O-N 2.74Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.39Å; L236-L239 HydrophobicContact CD2-CD1 4.17Å; L236-D240 VanDerWaalsContact O-CG 3.28Å; L236-D240 PolarHBondContact O-N 3.35Å; L236-D240 VanDerWaalsContact O-N 3.11Å; L236-T246 HydrophobicContact CD2-CG2 4.19Å; L236-R250 VanDerWaalsContact CB-CZ 3.47Å
237D94.2Very high91.8Very high69 Ų6935.1 Ų35.137%0.36917%0.17SC..Hα-helixtrans-68.7-34.8174.5-66.4-19.6000111.8S233 E234 D240 K241 R250S233-D237 VanDerWaalsContact O-CG 3.26Å; S233-D237 PolarHBondContact O-N 3.08Å; E234-D237 PolarHBondContact O-N 3.41Å; D237-D240 WeakPolarHBondContact O-CB 3.27Å; D237-D240 PolarHBondContact O-N 3.3Å; D237-K241 WeakPolarHBondContact O-CG 3.42Å; D237-K241 PolarHBondContact O-N 3.45Å; D237-R250 IonicContact OD1-CZ 3.28Å; D237-R250 IonicContact OD1-NH2 3.86Å; D237-R250 PolarHBondContact OD1-NH2 2.64Å
238E93Very high92.7Very high30 Ų3040.7 Ų40.714%0.1420%0.195CC..Hα-helixtrans-71.3-41.4174.9-171.7170.3-173.500111.7F227 N228 E234 A235 D240 K241 L242F227-E238 HydrophobicContact CD1-CB 3.88Å; F227-E238 HydrophobicContact CD1-CG 3.61Å; F227-E238 WeakPolarHBondContact CD1-OE2 3.37Å; F227-E238 HydrophobicContact CE1-CB 3.67Å; F227-E238 HydrophobicContact CE1-CG 3.5Å; F227-E238 VanDerWaalsContact CE1-CG 3.5Å; F227-E238 HydrophobicContact CG-CG 4.44Å; F227-E238 HydrophobicContact CZ-CG 4.27Å; N228-E238 VanDerWaalsContact C-OE2 3.32Å; N228-E238 PolarHBondContact N-OE1 3.24Å; N228-E238 PolarHBondContact N-OE2 2.8Å; E234-E238 WeakPolarHBondContact O-CB 3.4Å; E234-E238 PolarHBondContact O-N 2.77Å; A235-E238 PolarHBondContact O-N 2.7Å; E238-D240 VanDerWaalsContact C-N 3.26Å; E238-D240 PolarHBondContact O-N 3.42Å; E238-K241 WeakPolarHBondContact O-CB 3.5Å; E238-K241 PolarHBondContact O-N 2.63Å; E238-L242 HydrophobicContact CG-CD1 4.48Å; E238-L242 WeakPolarHBondContact O-CG 3.32Å; E238-L242 PolarHBondContact O-N 2.94Å
239L94.1Very high93.5Very high1 Ų136.5 Ų36.51%0.00517%0.172CC..Hα-helixtrans-55.6-42.1170.9-76.8168.6000111.9V164 I218 V221 F227 A235 L236 K241 L242 G243 F244 T246V164-L239 HydrophobicContact CB-CD2 4.48Å; V164-L239 HydrophobicContact CG1-CD2 3.74Å; I218-L239 HydrophobicContact CG2-CD1 3.72Å; I218-L239 HydrophobicContact CG2-CD2 4.09Å; V221-L239 HydrophobicContact CG2-CD1 3.9Å; V221-L239 HydrophobicContact CG2-CD2 4Å; V221-L239 HydrophobicContact CG2-CG 4.04Å; F227-L239 HydrophobicContact CE1-CD2 4.19Å; F227-L239 HydrophobicContact CE1-CG 3.99Å; F227-L239 HydrophobicContact CZ-CD2 3.77Å; F227-L239 HydrophobicContact CZ-CG 4.09Å; A235-L239 WeakPolarHBondContact O-CB 3.26Å; A235-L239 VanDerWaalsContact O-CG 3.27Å; A235-L239 WeakPolarHBondContact O-CG 3.3Å; A235-L239 PolarHBondContact O-N 3.3Å; L236-L239 HydrophobicContact CD2-CD1 4.17Å; L239-K241 PolarHBondContact O-N 2.99Å; L239-L242 PolarHBondContact O-N 3.16Å; L239-G243 PolarHBondContact O-N 2.98Å; L239-F244 HydrophobicContact CB-CB 4.21Å; L239-F244 HydrophobicContact CB-CD2 4.35Å; L239-F244 HydrophobicContact CD2-CB 4.37Å; L239-F244 HydrophobicContact CD2-CD2 3.44Å; L239-F244 VanDerWaalsContact CD2-CD2 3.44Å; L239-F244 HydrophobicContact CD2-CE2 3.88Å; L239-F244 HydrophobicContact CD2-CG 4.02Å; L239-F244 WeakPolarHBondContact O-CB 3.48Å; L239-F244 PolarHBondContact O-N 2.78Å; L239-T246 HydrophobicContact CB-CG2 3.85Å; L239-T246 HydrophobicContact CD1-CG2 4.44Å
240D92.6Very high94Very high21 Ų2137.8 Ų37.811%0.11218%0.175CC..Hα-helixtrans-60.6-43.3175.1-73.5-37.7000112.2L236 D237 E238 L242 G243 T246 K248 R250L236-D240 VanDerWaalsContact O-CG 3.28Å; L236-D240 PolarHBondContact O-N 3.35Å; L236-D240 VanDerWaalsContact O-N 3.11Å; D237-D240 WeakPolarHBondContact O-CB 3.27Å; D237-D240 PolarHBondContact O-N 3.3Å; E238-D240 VanDerWaalsContact C-N 3.26Å; E238-D240 PolarHBondContact O-N 3.42Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.75Å; D240-G243 PolarHBondContact O-N 3.32Å; D240-T246 WeakPolarHBondContact OD1-CB 3.43Å; D240-T246 WeakPolarHBondContact OD1-CG2 3.45Å; D240-T246 PolarHBondContact OD1-OG1 3.45Å; D240-T246 PolarHBondContact OD2-OG1 2.88Å; D240-T246 VanDerWaalsContact OD2-OG1 3.07Å; D240-K248 IonicContact OD1-NZ 3.8Å; D240-K248 PolarHBondContact OD1-NZ 2.87Å; D240-K248 IonicContact OD2-NZ 3.35Å; D240-K248 PolarHBondContact OD2-NZ 3.12Å; D240-R250 IonicContact OD2-CZ 3.74Å; D240-R250 IonicContact OD2-NH1 3.93Å; D240-R250 IonicContact OD2-NH2 3.06Å; D240-R250 PolarHBondContact OD2-NH2 2.71Å
241K91.3Very high94.4Very high148 Ų14831.9 Ų31.964%0.64316%0.158SC*.Hα-helixtrans-62.3-41.8178-68.7169.2-168.6166.80111.6K157 D237 E238 L239 G243K157-K241 VanDerWaalsContact CD-O 3.32Å; K157-K241 WeakPolarHBondContact CD-O 3.36Å; K157-K241 WeakPolarHBondContact CE-O 3.34Å; K157-K241 PolarHBondContact NZ-O 2.87Å; D237-K241 WeakPolarHBondContact O-CG 3.42Å; D237-K241 PolarHBondContact O-N 3.45Å; E238-K241 WeakPolarHBondContact O-CB 3.5Å; E238-K241 PolarHBondContact O-N 2.63Å; L239-K241 PolarHBondContact O-N 2.99Å; K241-G243 PolarHBondContact O-N 2.8Å
242L91.2Very high94.6Very high3 Ų338.2 Ų38.22%0.01618%0.181CC..Hα-helixtrans-69.5-11.1179.4-68.8171.2000113.9E158 L160 F227 E238 L239 D240 F244E158-L242 HydrophobicContact CB-CD2 3.84Å; E158-L242 HydrophobicContact CG-CD2 3.93Å; L160-L242 HydrophobicContact CD1-CD1 4.21Å; L160-L242 HydrophobicContact CD1-CD2 4.1Å; F227-L242 HydrophobicContact CE1-CD1 4.13Å; F227-L242 HydrophobicContact CE2-CD1 3.64Å; F227-L242 HydrophobicContact CZ-CD1 3.29Å; E238-L242 HydrophobicContact CG-CD1 4.48Å; E238-L242 WeakPolarHBondContact O-CG 3.32Å; E238-L242 PolarHBondContact O-N 2.94Å; L239-L242 PolarHBondContact O-N 3.16Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.75Å; L242-F244 HydrophobicContact CB-CD2 4.06Å; L242-F244 HydrophobicContact CB-CE2 4.22Å
243G91.3Very high94.7Very high7 Ų738.9 Ų38.97%0.07219%0.185CC..THydrogen-bonded Turntrans102.39.1175.900000114.5L239 D240 K241L239-G243 PolarHBondContact O-N 2.98Å; D240-G243 PolarHBondContact O-N 3.32Å; K241-G243 PolarHBondContact O-N 2.8Å
244F94.4Very high94.7Very high1 Ų144.1 Ų44.10%0.00421%0.213CC..  trans-76.6151.7172.8-67-75.8000111.7Y122 P153 M156 V164 I218 L239 L242Y122-F244 HydrophobicContact CD2-CE1 4.46Å; Y122-F244 HydrophobicContact CD2-CZ 4.04Å; Y122-F244 HydrophobicContact CE1-CZ 4.4Å; Y122-F244 AromaticContact CE2-CE1 3.57Å; Y122-F244 HydrophobicContact CE2-CE1 3.57Å; Y122-F244 AromaticContact CE2-CZ 3.58Å; Y122-F244 HydrophobicContact CE2-CZ 3.58Å; Y122-F244 AromaticContact CZ-CE1 3.64Å; Y122-F244 AromaticContact CZ-CZ 3.79Å; Y122-F244 WeakPolarHBondContact OH-CE1 3.29Å; P153-F244 HydrophobicContact CG-CD1 3.82Å; P153-F244 HydrophobicContact CG-CE1 3.77Å; P153-F244 HydrophobicContact CG-CG 4.38Å; P153-F244 HydrophobicContact CG-CZ 4.29Å; M156-F244 HydrophobicContact CG-CE2 4.17Å; M156-F244 HydrophobicContact CG-CZ 4.06Å; M156-F244 HydrophobicContact SD-CE2 3.5Å; M156-F244 VanDerWaalsContact SD-CE2 3.5Å; M156-F244 HydrophobicContact SD-CZ 3.57Å; M156-F244 VanDerWaalsContact SD-CZ 3.57Å; V164-F244 HydrophobicContact CG1-CE2 4.36Å; V164-F244 HydrophobicContact CG1-CZ 4.24Å; V164-F244 HydrophobicContact CG2-CD1 4.33Å; V164-F244 HydrophobicContact CG2-CE1 3.73Å; V164-F244 HydrophobicContact CG2-CZ 3.94Å; I218-F244 HydrophobicContact CB-CB 4.37Å; I218-F244 HydrophobicContact CD1-CD1 4.46Å; I218-F244 HydrophobicContact CG1-CB 3.94Å; I218-F244 HydrophobicContact CG1-CD1 3.79Å; I218-F244 HydrophobicContact CG1-CG 4.15Å; L239-F244 HydrophobicContact CB-CB 4.21Å; L239-F244 HydrophobicContact CB-CD2 4.35Å; L239-F244 HydrophobicContact CD2-CB 4.37Å; L239-F244 HydrophobicContact CD2-CD2 3.44Å; L239-F244 VanDerWaalsContact CD2-CD2 3.44Å; L239-F244 HydrophobicContact CD2-CE2 3.88Å; L239-F244 HydrophobicContact CD2-CG 4.02Å; L239-F244 WeakPolarHBondContact O-CB 3.48Å; L239-F244 PolarHBondContact O-N 2.78Å; L242-F244 HydrophobicContact CB-CD2 4.06Å; L242-F244 HydrophobicContact CB-CE2 4.22Å
245T93.9Very high94.6Very high7 Ų743 Ų434%0.04321%0.209CC..  trans-90.1111.3174.3-52.90000109.5V24 A151 F217 I218V24-T245 HydrophobicContact CG1-CG2 4.22Å; V24-T245 WeakPolarHBondContact CG1-OG1 3.49Å; V24-T245 VanDerWaalsContact CG2-OG1 3.26Å; V24-T245 WeakPolarHBondContact CG2-OG1 3.25Å; A151-T245 PolarHBondContact O-OG1 3.2Å; F217-T245 CarbonylContact C-O 3.52Å; F217-T245 WeakPolarHBondContact CA-O 3.13Å; F217-T245 HydrophobicContact CD1-CG2 3.86Å; F217-T245 HydrophobicContact CE1-CG2 3.78Å; I218-T245 PolarHBondContact N-O 2.99Å
246T96Very high94.7Very high1 Ų143.2 Ų43.21%0.00621%0.21CC..BIsolated β-bridgetrans-110.3157.2173.269.90000111F217 L236 L239 D240 K248 R250F217-T246 VanDerWaalsContact CD1-C 3.42Å; L236-T246 HydrophobicContact CD2-CG2 4.19Å; L239-T246 HydrophobicContact CB-CG2 3.85Å; L239-T246 HydrophobicContact CD1-CG2 4.44Å; D240-T246 WeakPolarHBondContact OD1-CB 3.43Å; D240-T246 WeakPolarHBondContact OD1-CG2 3.45Å; D240-T246 PolarHBondContact OD1-OG1 3.45Å; D240-T246 PolarHBondContact OD2-OG1 2.88Å; D240-T246 VanDerWaalsContact OD2-OG1 3.07Å; T246-K248 PolarHBondContact O-N 2.79Å; T246-R250 VanDerWaalsContact CB-NH1 3.32Å; T246-R250 PolarHBondContact OG1-NH1 3.35Å
247N96.3Very high94.8Very high16 Ų1646.7 Ų46.79%0.08623%0.228CC..  trans-76.1120.6179.7-164.5-57.6000110.9F217 N249 Y275F217-N247 HydrophobicContact CD1-CB 3.98Å; F217-N247 HydrophobicContact CD2-CB 4.45Å; F217-N247 HydrophobicContact CE1-CB 4.2Å; F217-N247 HydrophobicContact CG-CB 4.11Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N247-N249 VanDerWaalsContact OD1-CB 3.22Å; N247-N249 WeakPolarHBondContact OD1-CB 3.5Å; N247-N249 PolarHBondContact OD1-N 2.8Å; N247-Y275 PolarHBondContact ND2-OH 2.7Å
248K94.6Very high95Very high127 Ų12744 Ų4455%0.55222%0.217SC*.THydrogen-bonded Turntrans-78-11.8-177.2-53.5-52.9-174.4-176.90114.3D240 T246 R250D240-K248 IonicContact OD1-NZ 3.8Å; D240-K248 PolarHBondContact OD1-NZ 2.87Å; D240-K248 IonicContact OD2-NZ 3.35Å; D240-K248 PolarHBondContact OD2-NZ 3.12Å; T246-K248 PolarHBondContact O-N 2.79Å; K248-R250 PolarHBondContact O-N 2.96Å
249N96.3Very high95.2Very high55 Ų5542.5 Ų42.529%0.29421%0.21SC..THydrogen-bonded Turntrans-79.39.4179.7-71.6-44000114.1L111 N247 Y262 W266 Y275L111-N249 HydrophobicContact CD1-CB 3.7Å; L111-N249 HydrophobicContact CG-CB 4.1Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N247-N249 VanDerWaalsContact OD1-CB 3.22Å; N247-N249 WeakPolarHBondContact OD1-CB 3.5Å; N247-N249 PolarHBondContact OD1-N 2.8Å; N249-Y262 VanDerWaalsContact O-CE2 3.32Å; N249-Y262 WeakPolarHBondContact O-CE2 3.3Å; N249-Y262 PolarHBondContact O-OH 3.11Å; N249-W266 HydrophobicContact CB-CH2 3.79Å; N249-W266 HydrophobicContact CB-CZ2 3.28Å; N249-W266 VanDerWaalsContact OD1-CH2 3.24Å; N249-W266 WeakPolarHBondContact OD1-CH2 3.37Å; N249-W266 VanDerWaalsContact OD1-CZ2 3.26Å; N249-W266 WeakPolarHBondContact OD1-CZ2 3.49Å; N249-Y275 PolarHBondContact ND2-OH 3.31Å; N249-Y275 VanDerWaalsContact ND2-OH 3.13Å
250R96.2Very high95.3Very high40 Ų4044 Ų4415%0.15122%0.218CC..  trans-71.5150.4-178.872.5179.3176.2-124.77.9112.7M108 C109 E110 L236 D237 D240 T246 K248M108-R250 HydrophobicContact CE-CB 3.32Å; M108-R250 HydrophobicContact CE-CG 3.37Å; C109-R250 CarbonylContact O-C 3.54Å; C109-R250 VanDerWaalsContact O-CA 3.28Å; C109-R250 WeakPolarHBondContact O-CA 3.48Å; E110-R250 HydrophobicContact CG-CB 4.24Å; L236-R250 VanDerWaalsContact CB-CZ 3.47Å; D237-R250 IonicContact OD1-CZ 3.28Å; D237-R250 IonicContact OD1-NH2 3.86Å; D237-R250 PolarHBondContact OD1-NH2 2.64Å; D240-R250 IonicContact OD2-CZ 3.74Å; D240-R250 IonicContact OD2-NH1 3.93Å; D240-R250 IonicContact OD2-NH2 3.06Å; D240-R250 PolarHBondContact OD2-NH2 2.71Å; T246-R250 VanDerWaalsContact CB-NH1 3.32Å; T246-R250 PolarHBondContact OG1-NH1 3.35Å; K248-R250 PolarHBondContact O-N 2.96Å
251A97.6Very high95.6Very high30 Ų3049.6 Ų49.625%0.24824%0.243CC..EExtended strand (participates in β ladder)trans-141.8142.3178.500000113.2C109 Y262C109-A251 PolarHBondContact N-O 2.54Å; C109-A251 PolarHBondContact O-N 2.85Å; A251-Y262 HydrophobicContact CB-CD2 3.53Å; A251-Y262 HydrophobicContact CB-CE2 3.53Å
252R97.9Very high95.9Very high144 Ų14443.2 Ų43.254%0.54322%0.215SC..EExtended strand (participates in β ladder)trans-90.1132.2166.2-66.8-174.5-63.5-170.5-0.4110E106 Y107 M108E106-R252 HydrophobicContact CG-CB 4.49Å; Y107-R252 CarbonylContact O-C 3.57Å; Y107-R252 WeakPolarHBondContact O-CA 3.49Å; M108-R252 HydrophobicContact SD-CG 3.66Å
253V97.6Very high96.1Very high19 Ų1943.4 Ų43.412%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-137.4140.4-179.9-60.80000110.9Y107 N255 V259Y107-V253 PolarHBondContact N-O 3.09Å; Y107-V253 PolarHBondContact O-N 3.19Å; V253-N255 PolarHBondContact O-N 3.08Å; V253-V259 HydrophobicContact CG2-CB 4.42Å; V253-V259 HydrophobicContact CG2-CG2 3.52Å
254N95.4Very high96.3Very high120 Ų12050 Ų5064%0.64225%0.245SC*.SBendtrans-85.3-5.3-168.6-66.8-50.4000115V105V105-N254 CarbonylContact O-C 3.48Å
255N94.4Very high96.4Very high59 Ų5954.8 Ų54.832%0.31627%0.266SS..SBendtrans-165.4177-175.958.441.3000111.1V253 D257 G258 V259V253-N255 PolarHBondContact O-N 3.08Å; N255-D257 VanDerWaalsContact C-N 3.3Å; N255-D257 PolarHBondContact O-N 3.27Å; N255-D257 PolarHBondContact OD1-N 3.25Å; N255-D257 VanDerWaalsContact OD1-N 3.08Å; N255-G258 PolarHBondContact O-N 3.21Å; N255-G258 PolarHBondContact OD1-N 3.46Å; N255-V259 PolarHBondContact O-N 3.19Å
256I96.1Very high96.4Very high7 Ų755 Ų554%0.03627%0.266CS..Hα-helixtrans-64.5-30.7179.5-16156.5000113.5L91 R92 D95 V259 L260L91-I256 HydrophobicContact CB-CD1 3.99Å; R92-I256 HydrophobicContact CG-CG1 4.34Å; D95-I256 HydrophobicContact CB-CB 3.92Å; D95-I256 HydrophobicContact CB-CD1 3.87Å; D95-I256 HydrophobicContact CB-CG1 3.92Å; I256-V259 HydrophobicContact CD1-CB 4.16Å; I256-V259 HydrophobicContact CD1-CG1 4.36Å; I256-V259 HydrophobicContact CD1-CG2 4.4Å; I256-V259 WeakPolarHBondContact O-CB 3.1Å; I256-V259 PolarHBondContact O-N 3.26Å; I256-V259 VanDerWaalsContact O-N 3.16Å; I256-L260 WeakPolarHBondContact O-CG 3.21Å; I256-L260 PolarHBondContact O-N 2.96Å
257D96.8Very high96.2Very high75 Ų7557.2 Ų57.240%0.40128%0.28SS..Hα-helixtrans-69.4-38.6-179.7-57.8-42.9000110.6R92 N255 V259 L260 E261R92-D257 IonicContact CZ-OD1 3.3Å; R92-D257 IonicContact NH1-OD1 2.68Å; R92-D257 PolarHBondContact NH1-OD1 2.92Å; R92-D257 VanDerWaalsContact NH1-OD1 3.08Å; R92-D257 IonicContact NH2-OD1 3.43Å; R92-D257 PolarHBondContact NH2-OD1 2.69Å; R92-D257 VanDerWaalsContact NH2-OD1 3.12Å; N255-D257 VanDerWaalsContact C-N 3.3Å; N255-D257 PolarHBondContact O-N 3.27Å; N255-D257 PolarHBondContact OD1-N 3.25Å; N255-D257 VanDerWaalsContact OD1-N 3.08Å; D257-V259 VanDerWaalsContact C-N 3.3Å; D257-V259 PolarHBondContact O-N 3.15Å; D257-L260 WeakPolarHBondContact O-CB 3.41Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 VanDerWaalsContact O-N 3.13Å; D257-E261 WeakPolarHBondContact O-CG 3.37Å; D257-E261 PolarHBondContact O-N 3.43Å
258G97.5Very high95.9Very high12 Ų1260.9 Ų60.912%0.12431%0.306CS..Hα-helixtrans-64.3-31.9170.500000113.5N255 Y262N255-G258 PolarHBondContact O-N 3.21Å; N255-G258 PolarHBondContact OD1-N 3.46Å; G258-Y262 PolarHBondContact O-N 3.15Å; G258-Y262 VanDerWaalsContact O-N 3.09Å
259V97.7Very high95.7Very high0 Ų058.7 Ų58.70%030%0.298CS..Hα-helixtrans-63.5-43.8171.1172.30000110.6L91 Y107 V253 N255 I256 D257 Y262 I263 I282L91-V259 HydrophobicContact CD1-CG1 4.48Å; Y107-V259 HydrophobicContact CD2-CG2 3.76Å; Y107-V259 HydrophobicContact CG-CG2 4.02Å; V253-V259 HydrophobicContact CG2-CB 4.42Å; V253-V259 HydrophobicContact CG2-CG2 3.52Å; N255-V259 PolarHBondContact O-N 3.19Å; I256-V259 HydrophobicContact CD1-CB 4.16Å; I256-V259 HydrophobicContact CD1-CG1 4.36Å; I256-V259 HydrophobicContact CD1-CG2 4.4Å; I256-V259 WeakPolarHBondContact O-CB 3.1Å; I256-V259 PolarHBondContact O-N 3.26Å; I256-V259 VanDerWaalsContact O-N 3.16Å; D257-V259 VanDerWaalsContact C-N 3.3Å; D257-V259 PolarHBondContact O-N 3.15Å; V259-Y262 PolarHBondContact O-N 2.99Å; V259-I263 HydrophobicContact CG1-CD1 3.84Å; V259-I263 HydrophobicContact CG1-CG1 4.49Å; V259-I263 WeakPolarHBondContact O-CG1 3.27Å; V259-I263 PolarHBondContact O-N 2.94Å; V259-I282 HydrophobicContact CG1-CD1 3.64Å; V259-I282 HydrophobicContact CG1-CG1 3.63Å; V259-I282 HydrophobicContact CG1-CG2 4.32Å; V259-I282 HydrophobicContact CG2-CG2 4.04Å
260L97.3Very high95.2Very high33 Ų3360.3 Ų60.317%0.17330%0.3CS..Hα-helixtrans-64.9-42.3179.1-65.1170.5000111.8E88 L91 R92 I256 D257 Y262 I263 E264E88-L260 HydrophobicContact CB-CD2 4.22Å; E88-L260 HydrophobicContact CG-CD1 3.81Å; E88-L260 HydrophobicContact CG-CD2 3.83Å; E88-L260 HydrophobicContact CG-CG 4.5Å; L91-L260 HydrophobicContact CD1-CD2 3.94Å; R92-L260 VanDerWaalsContact NH2-CD1 3.33Å; I256-L260 WeakPolarHBondContact O-CG 3.21Å; I256-L260 PolarHBondContact O-N 2.96Å; D257-L260 WeakPolarHBondContact O-CB 3.41Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 VanDerWaalsContact O-N 3.13Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 2.87Å; L260-I263 PolarHBondContact O-N 2.88Å; L260-E264 PolarHBondContact O-N 2.8Å
261E97.5Very high94.7Very high138 Ų13863.6 Ų63.665%0.64532%0.317SS*.Hα-helixtrans-59.2-42.3173.5-71176.2-175.100111.9D257 E264 K265D257-E261 WeakPolarHBondContact O-CG 3.37Å; D257-E261 PolarHBondContact O-N 3.43Å; E261-E264 PolarHBondContact O-N 2.9Å; E261-K265 WeakPolarHBondContact O-CB 3.35Å; E261-K265 PolarHBondContact O-N 3.11Å
262Y97.7Very high94.3Very high13 Ų1366.5 Ų66.55%0.05134%0.336CS..Hα-helixtrans-65.1-41176.7-177.9-86000112.1C109 L111 N249 A251 G258 V259 L260 W266 I280C109-Y262 HydrophobicContact CB-CD1 3.56Å; C109-Y262 HydrophobicContact CB-CD2 4.08Å; C109-Y262 HydrophobicContact CB-CE1 3.61Å; C109-Y262 HydrophobicContact CB-CE2 4.12Å; C109-Y262 HydrophobicContact CB-CG 3.79Å; L111-Y262 HydrophobicContact CD2-CE1 4.39Å; N249-Y262 VanDerWaalsContact O-CE2 3.32Å; N249-Y262 WeakPolarHBondContact O-CE2 3.3Å; N249-Y262 PolarHBondContact O-OH 3.11Å; A251-Y262 HydrophobicContact CB-CD2 3.53Å; A251-Y262 HydrophobicContact CB-CE2 3.53Å; G258-Y262 PolarHBondContact O-N 3.15Å; G258-Y262 VanDerWaalsContact O-N 3.09Å; V259-Y262 PolarHBondContact O-N 2.99Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 2.87Å; Y262-W266 AromaticContact CD1-CD1 3.82Å; Y262-W266 AromaticContact CD2-CD1 3.93Å; Y262-W266 AromaticContact CE1-CD1 3.4Å; Y262-W266 VanDerWaalsContact CE1-CD1 3.4Å; Y262-W266 HydrophobicContact CE1-CG 4.4Å; Y262-W266 AromaticContact CE1-NE1 3.97Å; Y262-W266 AromaticContact CE2-CD1 3.53Å; Y262-W266 AromaticContact CE2-NE1 3.33Å; Y262-W266 VanDerWaalsContact CE2-NE1 3.33Å; Y262-W266 AromaticContact CZ-CD1 3.25Å; Y262-W266 AromaticContact CZ-NE1 3.31Å; Y262-W266 VanDerWaalsContact CZ-NE1 3.31Å; Y262-W266 PolarHBondContact O-N 3.21Å; Y262-W266 VanDerWaalsContact O-N 3.09Å; Y262-W266 PolarHBondContact OH-NE1 3.45Å; Y262-I280 HydrophobicContact CD1-CD1 4.22Å; Y262-I280 HydrophobicContact CD1-CG1 4.25Å; Y262-I280 HydrophobicContact CD1-CG2 3.77Å; Y262-I280 HydrophobicContact CE1-CD1 3.65Å; Y262-I280 HydrophobicContact CE1-CG1 4.12Å; Y262-I280 HydrophobicContact CE1-CG2 3.61Å
263I96.4Very high94Very high7 Ų760.2 Ų60.24%0.03631%0.313CS..Hα-helixtrans-62-47.9175-73.3165000110.6L91 V259 L260 K265 W266 T267 I280 I282 Y306L91-I263 HydrophobicContact CD1-CD1 3.33Å; V259-I263 HydrophobicContact CG1-CD1 3.84Å; V259-I263 HydrophobicContact CG1-CG1 4.49Å; V259-I263 WeakPolarHBondContact O-CG1 3.27Å; V259-I263 PolarHBondContact O-N 2.94Å; L260-I263 PolarHBondContact O-N 2.88Å; I263-K265 PolarHBondContact O-N 3.13Å; I263-W266 PolarHBondContact O-N 2.84Å; I263-T267 VanDerWaalsContact O-CB 3.27Å; I263-T267 WeakPolarHBondContact O-CB 3.26Å; I263-T267 PolarHBondContact O-N 2.9Å; I263-T267 PolarHBondContact O-OG1 2.74Å; I263-I280 HydrophobicContact CG1-CB 4.14Å; I263-I280 HydrophobicContact CG1-CG1 3.93Å; I263-I280 HydrophobicContact CG1-CG2 4.39Å; I263-I282 HydrophobicContact CD1-CD1 4.4Å; I263-Y306 HydrophobicContact CB-CD1 4.48Å; I263-Y306 HydrophobicContact CB-CE1 4.49Å; I263-Y306 HydrophobicContact CD1-CD1 3.82Å; I263-Y306 HydrophobicContact CD1-CD2 4.07Å; I263-Y306 HydrophobicContact CD1-CE1 4.34Å; I263-Y306 HydrophobicContact CD1-CG 3.66Å; I263-Y306 HydrophobicContact CG1-CD1 3.97Å; I263-Y306 HydrophobicContact CG1-CE1 4.45Å; I263-Y306 HydrophobicContact CG1-CG 4.29Å; I263-Y306 HydrophobicContact CG2-CD1 3.66Å; I263-Y306 HydrophobicContact CG2-CE1 3.28Å
264E95.1Very high93.8Very high147 Ų14763.3 Ų63.369%0.68733%0.333SS*.Hα-helixtrans-59.4-47.7179.6-175178.7-174.400111L260 E261 W266 T267 S268L260-E264 PolarHBondContact O-N 2.8Å; E261-E264 PolarHBondContact O-N 2.9Å; E264-W266 PolarHBondContact O-N 3.32Å; E264-T267 PolarHBondContact O-N 3.15Å; E264-S268 PolarHBondContact O-N 2.87Å; E264-S268 VanDerWaalsContact O-N 3.11Å; E264-S268 PolarHBondContact O-OG 2.85Å
265K96Very high93.6Very high101 Ų10158.2 Ų58.244%0.43931%0.305SS..Hα-helixtrans-52.7-56.1175.9178.4-174.6174.2-175.40111.2E261 I263 S268 Q269E261-K265 WeakPolarHBondContact O-CB 3.35Å; E261-K265 PolarHBondContact O-N 3.11Å; I263-K265 PolarHBondContact O-N 3.13Å; K265-S268 PolarHBondContact O-N 2.78Å; K265-S268 PolarHBondContact O-OG 3.33Å; K265-Q269 WeakPolarHBondContact O-CB 3.48Å; K265-Q269 WeakPolarHBondContact O-CG 3.44Å; K265-Q269 PolarHBondContact O-N 2.97Å
266W95.1Very high93.4Very high10 Ų1057.3 Ų57.34%0.03830%0.301CS..Hα-helixtrans-76.8-24.6-174.5-77.3114.6000114L111 N249 Y262 I263 E264 S268 Q269 R270 L273 I280L111-W266 HydrophobicContact CD1-CD2 4.42Å; L111-W266 HydrophobicContact CD1-CE3 4.39Å; L111-W266 HydrophobicContact CD2-CB 3.99Å; L111-W266 HydrophobicContact CD2-CD2 3.63Å; L111-W266 HydrophobicContact CD2-CE3 4.21Å; L111-W266 HydrophobicContact CD2-CG 3.49Å; L111-W266 VanDerWaalsContact CD2-CG 3.49Å; N249-W266 HydrophobicContact CB-CH2 3.79Å; N249-W266 HydrophobicContact CB-CZ2 3.28Å; N249-W266 VanDerWaalsContact OD1-CH2 3.24Å; N249-W266 WeakPolarHBondContact OD1-CH2 3.37Å; N249-W266 VanDerWaalsContact OD1-CZ2 3.26Å; N249-W266 WeakPolarHBondContact OD1-CZ2 3.49Å; Y262-W266 AromaticContact CD1-CD1 3.82Å; Y262-W266 AromaticContact CD2-CD1 3.93Å; Y262-W266 AromaticContact CE1-CD1 3.4Å; Y262-W266 VanDerWaalsContact CE1-CD1 3.4Å; Y262-W266 HydrophobicContact CE1-CG 4.4Å; Y262-W266 AromaticContact CE1-NE1 3.97Å; Y262-W266 AromaticContact CE2-CD1 3.53Å; Y262-W266 AromaticContact CE2-NE1 3.33Å; Y262-W266 VanDerWaalsContact CE2-NE1 3.33Å; Y262-W266 AromaticContact CZ-CD1 3.25Å; Y262-W266 AromaticContact CZ-NE1 3.31Å; Y262-W266 VanDerWaalsContact CZ-NE1 3.31Å; Y262-W266 PolarHBondContact O-N 3.21Å; Y262-W266 VanDerWaalsContact O-N 3.09Å; Y262-W266 PolarHBondContact OH-NE1 3.45Å; I263-W266 PolarHBondContact O-N 2.84Å; E264-W266 PolarHBondContact O-N 3.32Å; W266-S268 VanDerWaalsContact C-N 3.29Å; W266-S268 PolarHBondContact O-N 2.86Å; W266-Q269 HydrophobicContact CE3-CB 4.05Å; W266-Q269 HydrophobicContact CZ3-CB 4.15Å; W266-Q269 PolarHBondContact O-N 3.19Å; W266-R270 WeakPolarHBondContact O-CA 3.29Å; W266-R270 WeakPolarHBondContact O-CB 3.41Å; W266-R270 PolarHBondContact O-N 3.32Å; W266-L273 HydrophobicContact CE3-CD1 4.03Å; W266-L273 HydrophobicContact CE3-CD2 4.41Å; W266-L273 HydrophobicContact CE3-CG 4.38Å; W266-L273 HydrophobicContact CH2-CD2 3.99Å; W266-L273 HydrophobicContact CZ3-CD1 3.96Å; W266-L273 HydrophobicContact CZ3-CD2 3.52Å; W266-L273 HydrophobicContact CZ3-CG 3.85Å; W266-I280 HydrophobicContact CB-CD1 3.89Å; W266-I280 HydrophobicContact CG-CD1 4.4Å
267T90.4Very high93.2Very high49 Ų4958 Ų5830%0.30130%0.304SS..Hα-helixtrans-59.6-44.3168.4-57.90000110.2I263 E264 F308I263-T267 VanDerWaalsContact O-CB 3.27Å; I263-T267 WeakPolarHBondContact O-CB 3.26Å; I263-T267 PolarHBondContact O-N 2.9Å; I263-T267 PolarHBondContact O-OG1 2.74Å; E264-T267 PolarHBondContact O-N 3.15Å; T267-F308 HydrophobicContact CG2-CD1 4.35Å; T267-F308 WeakPolarHBondContact OG1-CD1 3.45Å; T267-F308 WeakPolarHBondContact OG1-CE1 3.46Å
268S89.6Confident92.9Very high92 Ų9254.8 Ų54.864%0.64329%0.287SS*.Hα-helixtrans-75.1-30.1179.472.30000114.1E264 K265 W266E264-S268 PolarHBondContact O-N 2.87Å; E264-S268 VanDerWaalsContact O-N 3.11Å; E264-S268 PolarHBondContact O-OG 2.85Å; K265-S268 PolarHBondContact O-N 2.78Å; K265-S268 PolarHBondContact O-OG 3.33Å; W266-S268 VanDerWaalsContact C-N 3.29Å; W266-S268 PolarHBondContact O-N 2.86Å
269Q91.1Very high92.7Very high81 Ų8154.2 Ų54.238%0.37928%0.281SS..Hα-helixtrans-100-4.2-174.2-65.8-179.613.300114.5K265 W266 E271 S272K265-Q269 WeakPolarHBondContact O-CB 3.48Å; K265-Q269 WeakPolarHBondContact O-CG 3.44Å; K265-Q269 PolarHBondContact O-N 2.97Å; W266-Q269 HydrophobicContact CE3-CB 4.05Å; W266-Q269 HydrophobicContact CZ3-CB 4.15Å; W266-Q269 PolarHBondContact O-N 3.19Å; Q269-E271 PolarHBondContact O-N 2.84Å; Q269-S272 WeakPolarHBondContact O-CB 3.37Å; Q269-S272 PolarHBondContact O-N 3.03Å; Q269-S272 PolarHBondContact O-OG 3.23Å
270R86.6Confident92.7Very high89 Ų8954.2 Ų54.234%0.33628%0.281SS..G310 helixtrans-51.9-37.1-174.471.2-178.4-161.7-167.5-2113.5W266 S272 L273 I277W266-R270 WeakPolarHBondContact O-CA 3.29Å; W266-R270 WeakPolarHBondContact O-CB 3.41Å; W266-R270 PolarHBondContact O-N 3.32Å; R270-S272 PolarHBondContact O-N 2.99Å; R270-L273 WeakPolarHBondContact O-CB 3.03Å; R270-L273 PolarHBondContact O-N 2.82Å; R270-I277 HydrophobicContact CB-CD1 3.99Å; R270-I277 HydrophobicContact CB-CG1 4.07Å
271E84.6Confident92.7Very high110 Ų11053.3 Ų53.351%0.51428%0.277SS..G310 helixtrans-73.4-14.9-177-59.8-53.415200113.9R172 Q269 L273R172-E271 IonicContact CZ-OE2 3.85Å; R172-E271 PolarHBondContact NH1-O 3.12Å; R172-E271 IonicContact NH1-OE2 3.72Å; R172-E271 PolarHBondContact NH1-OE2 3.08Å; R172-E271 IonicContact NH2-OE2 2.68Å; R172-E271 PolarHBondContact NH2-OE2 2.71Å; Q269-E271 PolarHBondContact O-N 2.84Å; E271-L273 VanDerWaalsContact C-N 3.34Å
272S89.7Confident92.8Very high91 Ų9146.7 Ų46.764%0.63625%0.246SC*.G310 helixtrans-82.7-11.3173.568.40000113.6Q269 R270Q269-S272 WeakPolarHBondContact O-CB 3.37Å; Q269-S272 PolarHBondContact O-N 3.03Å; Q269-S272 PolarHBondContact O-OG 3.23Å; R270-S272 PolarHBondContact O-N 2.99Å
273L92.3Very high92.8Very high12 Ų1246.7 Ų46.76%0.06325%0.246CC..SBendtrans-72.4145.4179.5-67.4170.4000110.8L111 R172 W266 R270 E271 Y275 I277L111-L273 HydrophobicContact CD1-CD1 3.72Å; L111-L273 HydrophobicContact CD1-CD2 4.29Å; R172-L273 WeakPolarHBondContact CD-O 3.44Å; R172-L273 PolarHBondContact NH1-O 2.85Å; W266-L273 HydrophobicContact CE3-CD1 4.03Å; W266-L273 HydrophobicContact CE3-CD2 4.41Å; W266-L273 HydrophobicContact CE3-CG 4.38Å; W266-L273 HydrophobicContact CH2-CD2 3.99Å; W266-L273 HydrophobicContact CZ3-CD1 3.96Å; W266-L273 HydrophobicContact CZ3-CD2 3.52Å; W266-L273 HydrophobicContact CZ3-CG 3.85Å; R270-L273 WeakPolarHBondContact O-CB 3.03Å; R270-L273 PolarHBondContact O-N 2.82Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-Y275 HydrophobicContact CB-CD2 4.39Å; L273-Y275 HydrophobicContact CB-CE2 4.27Å; L273-Y275 WeakPolarHBondContact CB-O 3.08Å; L273-Y275 HydrophobicContact CD1-CE2 3.97Å; L273-Y275 HydrophobicContact CD2-CE2 4.21Å; L273-Y275 HydrophobicContact CG-CE2 4.39Å; L273-Y275 PolarHBondContact O-N 2.99Å; L273-I277 HydrophobicContact CD1-CD1 3.68Å; L273-I277 HydrophobicContact CD1-CG1 4.04Å; L273-I277 HydrophobicContact CD1-CG2 4.1Å
274P92.2Very high92.8Very high84 Ų8446.4 Ų46.455%0.54524%0.244SC..SBendtrans-77.96.3175.831.4-33000113.3R172R172-P274 WeakPolarHBondContact CB-O 3.45Å; R172-P274 PolarHBondContact N-O 3.01Å
275Y92.6Very high92.9Very high13 Ų1339.5 Ų39.55%0.05121%0.212CC..SBendtrans-145.9161-179.448.7-100.4000110.1L111 I113 Y169 F217 N247 N249 L273 I277L111-Y275 HydrophobicContact CD1-CE2 4.09Å; I113-Y275 HydrophobicContact CD1-CD2 4.08Å; I113-Y275 HydrophobicContact CD1-CE2 3.84Å; Y169-Y275 HydrophobicContact CD2-CG 4.46Å; Y169-Y275 VanDerWaalsContact CE2-CB 3.47Å; Y169-Y275 HydrophobicContact CE2-CD1 4.05Å; Y169-Y275 AromaticContact CE2-CG 3.99Å; Y169-Y275 HydrophobicContact CE2-CG 3.99Å; F217-Y275 AromaticContact CE2-CD1 3.89Å; F217-Y275 HydrophobicContact CE2-CD1 3.89Å; F217-Y275 AromaticContact CE2-CE1 3.62Å; F217-Y275 HydrophobicContact CE2-CE1 3.62Å; F217-Y275 HydrophobicContact CE2-CE2 4.29Å; F217-Y275 HydrophobicContact CE2-CG 4.38Å; F217-Y275 AromaticContact CE2-CZ 3.85Å; F217-Y275 HydrophobicContact CZ-CD1 4.37Å; F217-Y275 AromaticContact CZ-CE1 3.81Å; F217-Y275 HydrophobicContact CZ-CE1 3.81Å; N247-Y275 PolarHBondContact ND2-OH 2.7Å; N249-Y275 PolarHBondContact ND2-OH 3.31Å; N249-Y275 VanDerWaalsContact ND2-OH 3.13Å; L273-Y275 HydrophobicContact CB-CD2 4.39Å; L273-Y275 HydrophobicContact CB-CE2 4.27Å; L273-Y275 WeakPolarHBondContact CB-O 3.08Å; L273-Y275 HydrophobicContact CD1-CE2 3.97Å; L273-Y275 HydrophobicContact CD2-CE2 4.21Å; L273-Y275 HydrophobicContact CG-CE2 4.39Å; L273-Y275 PolarHBondContact O-N 2.99Å; Y275-I277 HydrophobicContact CD2-CG2 3.91Å; Y275-I277 HydrophobicContact CE2-CG2 3.9Å
276D89.6Confident92.8Very high40 Ų4037.4 Ų37.421%0.21421%0.206CC..  trans-89.3144.4-179.8-77.4-1.8000112D114 R172 P193D114-D276 HydrophobicContact CB-CB 4.33Å; D114-D276 PolarHBondContact N-O 3.28Å; D114-D276 VanDerWaalsContact N-O 3.08Å; R172-D276 IonicContact CZ-OD1 2.77Å; R172-D276 VanDerWaalsContact CZ-OD1 3.24Å; R172-D276 IonicContact NE-OD1 3.39Å; R172-D276 PolarHBondContact NE-OD1 3.11Å; R172-D276 IonicContact NH2-OD1 3.76Å; R172-D276 PolarHBondContact NH2-OD1 3.44Å; P193-D276 VanDerWaalsContact CD-OD2 3.28Å; P193-D276 WeakPolarHBondContact CD-OD2 3.29Å; P193-D276 HydrophobicContact CG-CB 4.48Å; P193-D276 WeakPolarHBondContact CG-OD2 3.27Å
277I92.2Very high92.6Very high20 Ų2037.7 Ų37.710%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-131.8142176.159.9165.3000109.3L111 K112 I113 R270 L273 Y275 F308L111-I277 HydrophobicContact CB-CG2 4.06Å; L111-I277 HydrophobicContact CD1-CG2 4.38Å; L111-I277 HydrophobicContact CD2-CD1 3.99Å; K112-I277 CarbonylContact O-C 3.57Å; K112-I277 WeakPolarHBondContact O-CA 3.26Å; K112-I277 WeakPolarHBondContact O-CB 3.44Å; I113-I277 HydrophobicContact CD1-CG2 4.1Å; R270-I277 HydrophobicContact CB-CD1 3.99Å; R270-I277 HydrophobicContact CB-CG1 4.07Å; L273-I277 HydrophobicContact CD1-CD1 3.68Å; L273-I277 HydrophobicContact CD1-CG1 4.04Å; L273-I277 HydrophobicContact CD1-CG2 4.1Å; Y275-I277 HydrophobicContact CD2-CG2 3.91Å; Y275-I277 HydrophobicContact CE2-CG2 3.9Å; I277-F308 HydrophobicContact CD1-CE2 3.64Å; I277-F308 HydrophobicContact CD1-CZ 3.97Å; I277-F308 HydrophobicContact CG1-CE2 3.89Å
278D89.3Confident92.6Very high8 Ų839.2 Ų39.24%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-11212.1-178.472.2-21.9000112.7K112 D114 K307K112-D278 WeakPolarHBondContact CB-OD1 3.14Å; K112-D278 WeakPolarHBondContact CD-OD1 3.4Å; K112-D278 WeakPolarHBondContact CE-OD1 3.47Å; K112-D278 WeakPolarHBondContact CG-OD1 3.38Å; K112-D278 IonicContact NZ-OD1 3.37Å; K112-D278 PolarHBondContact NZ-OD1 2.9Å; K112-D278 IonicContact NZ-OD2 2.91Å; K112-D278 PolarHBondContact NZ-OD2 3.18Å; K112-D278 PolarHBondContact O-N 2.77Å; D114-D278 HydrophobicContact CB-CB 4.36Å; D278-K307 VanDerWaalsContact O-CD 3.25Å; D278-K307 WeakPolarHBondContact O-CD 3.48Å; D278-K307 IonicContact OD2-NZ 2.62Å; D278-K307 PolarHBondContact OD2-NZ 3.43Å
279G94Very high92.7Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans158.4-161.7179.300000114K112 Y306K112-G279 VanDerWaalsContact CB-C 3.41Å; K112-G279 WeakPolarHBondContact CB-O 3.43Å; K112-G279 PolarHBondContact N-O 2.73Å; G279-Y306 CarbonylContact C-O 3.54Å; G279-Y306 WeakPolarHBondContact CA-O 3.28Å
280I97.4Very high92.6Very high0 Ų033.6 Ų33.60%018%0.178CC..EExtended strand (participates in β ladder)trans-123.7134.8175.1-58.6-52.6000109.1C109 E110 L111 Y262 I263 W266 I282 A305 Y306 F308C109-I280 HydrophobicContact CB-CG2 4.37Å; E110-I280 WeakPolarHBondContact O-CA 3.47Å; L111-I280 HydrophobicContact CD2-CD1 3.53Å; Y262-I280 HydrophobicContact CD1-CD1 4.22Å; Y262-I280 HydrophobicContact CD1-CG1 4.25Å; Y262-I280 HydrophobicContact CD1-CG2 3.77Å; Y262-I280 HydrophobicContact CE1-CD1 3.65Å; Y262-I280 HydrophobicContact CE1-CG1 4.12Å; Y262-I280 HydrophobicContact CE1-CG2 3.61Å; I263-I280 HydrophobicContact CG1-CB 4.14Å; I263-I280 HydrophobicContact CG1-CG1 3.93Å; I263-I280 HydrophobicContact CG1-CG2 4.39Å; W266-I280 HydrophobicContact CB-CD1 3.89Å; W266-I280 HydrophobicContact CG-CD1 4.4Å; I280-I282 HydrophobicContact CG2-CG1 4.17Å; I280-A305 CarbonylContact O-C 3.44Å; I280-A305 WeakPolarHBondContact O-CA 3.5Å; I280-Y306 PolarHBondContact N-O 3.1Å; I280-Y306 PolarHBondContact O-N 2.86Å; I280-F308 HydrophobicContact CD1-CE1 4.49Å; I280-F308 HydrophobicContact CD1-CZ 3.92Å; I280-F308 HydrophobicContact CG1-CE1 4.14Å; I280-F308 HydrophobicContact CG1-CZ 4.04Å
281V98Very high92.6Very high14 Ų1431.9 Ų31.99%0.08518%0.175CC..EExtended strand (participates in β ladder)trans-95129.2169.4-176.80000108.7L82 C109 E110 K112 K283L82-V281 HydrophobicContact CD1-CB 4.43Å; L82-V281 HydrophobicContact CD1-CG1 3.73Å; L82-V281 HydrophobicContact CD1-CG2 3.81Å; C109-V281 WeakPolarHBondContact CA-O 3.42Å; E110-V281 PolarHBondContact N-O 2.93Å; E110-V281 PolarHBondContact O-N 2.81Å; K112-V281 HydrophobicContact CB-CG2 3.81Å; K112-V281 HydrophobicContact CD-CG2 4.21Å; K112-V281 HydrophobicContact CG-CG2 3.68Å; V281-K283 HydrophobicContact CG1-CD 4.46Å; V281-K283 HydrophobicContact CG1-CG 3.94Å
282I98.1Very high92.5Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-115.7120.8178.8-57.7133.6000107.1L91 F94 Y107 V259 I263 I280 A303 I304L91-I282 HydrophobicContact CD1-CD1 4.42Å; L91-I282 HydrophobicContact CD2-CD1 3.61Å; F94-I282 HydrophobicContact CE1-CG2 4.2Å; Y107-I282 HydrophobicContact CD1-CG2 3.64Å; Y107-I282 HydrophobicContact CE1-CG2 4.25Å; Y107-I282 HydrophobicContact CG-CG2 3.92Å; V259-I282 HydrophobicContact CG1-CD1 3.64Å; V259-I282 HydrophobicContact CG1-CG1 3.63Å; V259-I282 HydrophobicContact CG1-CG2 4.32Å; V259-I282 HydrophobicContact CG2-CG2 4.04Å; I263-I282 HydrophobicContact CD1-CD1 4.4Å; I280-I282 HydrophobicContact CG2-CG1 4.17Å; I282-A303 CarbonylContact O-C 3.56Å; I282-A303 WeakPolarHBondContact O-CA 3.24Å; I282-I304 HydrophobicContact CB-CG2 4.07Å; I282-I304 HydrophobicContact CD1-CG2 3.97Å; I282-I304 PolarHBondContact N-O 3.47Å; I282-I304 PolarHBondContact O-N 3.21Å
283K97.8Very high92.4Very high13 Ų1324.8 Ų24.86%0.05713%0.133CC..EExtended strand (participates in β ladder)trans-121.2143.1-179.9-54.2174.2-176.8163.30109Y107 M108 E110 Y219 Q232 V281 N285 W302 A303Y107-K283 CarbonylContact C-O 3.46Å; Y107-K283 VanDerWaalsContact CA-O 3.29Å; Y107-K283 WeakPolarHBondContact CA-O 3.49Å; M108-K283 HydrophobicContact CB-CB 4.47Å; M108-K283 PolarHBondContact N-O 3.08Å; M108-K283 PolarHBondContact O-N 3.46Å; E110-K283 WeakPolarHBondContact OE1-CD 3.49Å; E110-K283 WeakPolarHBondContact OE1-CE 3.45Å; E110-K283 IonicContact OE1-NZ 2.71Å; E110-K283 PolarHBondContact OE1-NZ 3.03Å; E110-K283 IonicContact OE2-NZ 2.9Å; E110-K283 PolarHBondContact OE2-NZ 3.2Å; Y219-K283 PolarHBondContact O-NZ 2.87Å; Q232-K283 HydrophobicContact CG-CD 4.03Å; V281-K283 HydrophobicContact CG1-CD 4.46Å; V281-K283 HydrophobicContact CG1-CG 3.94Å; K283-N285 PolarHBondContact O-N 3.38Å; K283-W302 WeakPolarHBondContact CA-O 3.25Å; K283-W302 HydrophobicContact CB-CE3 4.32Å; K283-W302 HydrophobicContact CB-CZ3 4.25Å; K283-W302 HydrophobicContact CD-CZ3 4.26Å; K283-W302 HydrophobicContact CG-CZ3 4.15Å; K283-A303 HydrophobicContact CB-CB 4.38Å; K283-A303 HydrophobicContact CG-CB 3.94Å
284V97.1Very high92Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-56.9128.3161173.40000107.8I98 I102 V105 Y107 Q289 Q290 M293 W302I98-V284 HydrophobicContact CD1-CG2 3.79Å; I98-V284 HydrophobicContact CG2-CG2 4.16Å; I102-V284 HydrophobicContact CD1-CG1 4.18Å; I102-V284 HydrophobicContact CD1-CG2 4.48Å; V105-V284 HydrophobicContact CG2-CB 4.44Å; V105-V284 HydrophobicContact CG2-CG1 4.13Å; V105-V284 HydrophobicContact CG2-CG2 4Å; Y107-V284 HydrophobicContact CE1-CG2 4.27Å; V284-Q289 HydrophobicContact CG1-CB 3.74Å; V284-Q290 HydrophobicContact CB-CG 4.18Å; V284-Q290 HydrophobicContact CG1-CG 4.48Å; V284-Q290 PolarHBondContact O-NE2 2.94Å; V284-M293 HydrophobicContact CG2-SD 4.08Å; V284-W302 HydrophobicContact CB-CB 4.13Å; V284-W302 HydrophobicContact CG2-CB 3.93Å; V284-W302 PolarHBondContact N-O 3.48Å
285N97.2Very high91.4Very high3 Ų325.9 Ų25.92%0.01613%0.129CC..SBendtrans-74.1-37.5-173.2-171.140.9000112.2E106 M108 S231 Q232 S233 K283E106-N285 HydrophobicContact CB-CB 4.31Å; E106-N285 HydrophobicContact CG-CB 4.27Å; E106-N285 WeakPolarHBondContact O-CB 3.31Å; E106-N285 PolarHBondContact O-N 3.22Å; E106-N285 PolarHBondContact OE1-ND2 2.83Å; M108-N285 HydrophobicContact CB-CB 4.27Å; S231-N285 CarbonylContact C-O 3.57Å; S231-N285 WeakPolarHBondContact CA-O 3.46Å; S231-N285 VanDerWaalsContact CB-O 3.3Å; S231-N285 WeakPolarHBondContact CB-O 3.38Å; Q232-N285 PolarHBondContact N-O 2.59Å; Q232-N285 PolarHBondContact N-OD1 2.85Å; S233-N285 PolarHBondContact N-OD1 2.76Å; K283-N285 PolarHBondContact O-N 3.38Å
286D94.3Very high90.8Very high56 Ų5627.9 Ų27.930%0.29914%0.143SC..BIsolated β-bridgetrans-75.1127.8-178.8-176.7-77.3000112D288 Q289 Q290D286-D288 WeakPolarHBondContact OD1-CA 3.36Å; D286-D288 WeakPolarHBondContact OD1-CB 3.39Å; D286-D288 PolarHBondContact OD1-N 3.28Å; D286-Q289 HydrophobicContact CB-CB 4.05Å; D286-Q289 HydrophobicContact CB-CG 3.89Å; D286-Q289 WeakPolarHBondContact OD1-CG 3.4Å; D286-Q289 PolarHBondContact OD1-N 2.95Å; D286-Q290 WeakPolarHBondContact O-CG 3.48Å; D286-Q290 PolarHBondContact O-N 3.43Å
287L91.2Very high89.8Confident16 Ų1632.8 Ų32.88%0.08416%0.164CC..Hα-helixtrans-73.8-33.9-175.1-64.3177.1000112.6F224 A229 R230 Q289 Q290 D291F224-L287 HydrophobicContact CD1-CD1 3.75Å; F224-L287 HydrophobicContact CD2-CD1 4.19Å; F224-L287 HydrophobicContact CE1-CD1 3.54Å; F224-L287 HydrophobicContact CE1-CD2 4.43Å; F224-L287 HydrophobicContact CE2-CD1 4Å; F224-L287 HydrophobicContact CE2-CD2 4.04Å; F224-L287 HydrophobicContact CG-CD1 4.07Å; F224-L287 HydrophobicContact CZ-CD1 3.67Å; F224-L287 HydrophobicContact CZ-CD2 3.78Å; F224-L287 HydrophobicContact CZ-CG 4.39Å; A229-L287 HydrophobicContact CB-CD1 4.47Å; A229-L287 WeakPolarHBondContact O-CD1 3.49Å; R230-L287 PolarHBondContact O-N 2.91Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.81Å; L287-Q290 WeakPolarHBondContact O-CB 3.47Å; L287-Q290 PolarHBondContact O-N 3.11Å; L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 2.8Å
288D89.1Confident88.9Confident81 Ų8139.4 Ų39.443%0.43319%0.192SC..Hα-helixtrans-65.9-38.2176.9-73.9-24.2000110.9D286 D291 E292D286-D288 WeakPolarHBondContact OD1-CA 3.36Å; D286-D288 WeakPolarHBondContact OD1-CB 3.39Å; D286-D288 PolarHBondContact OD1-N 3.28Å; D288-D291 WeakPolarHBondContact O-CB 3.4Å; D288-D291 PolarHBondContact O-N 2.88Å; D288-E292 PolarHBondContact O-N 2.84Å
289Q91.7Very high88.5Confident43 Ų4340 Ų4020%0.20120%0.197CC..Hα-helixtrans-64.5-41.5173.2-69.3-179.3-12.200111.8I102 V284 D286 L287 D291 E292 M293I102-Q289 HydrophobicContact CD1-CB 3.88Å; I102-Q289 HydrophobicContact CD1-CG 4.01Å; V284-Q289 HydrophobicContact CG1-CB 3.74Å; D286-Q289 HydrophobicContact CB-CB 4.05Å; D286-Q289 HydrophobicContact CB-CG 3.89Å; D286-Q289 WeakPolarHBondContact OD1-CG 3.4Å; D286-Q289 PolarHBondContact OD1-N 2.95Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.81Å; Q289-D291 VanDerWaalsContact C-N 3.28Å; Q289-D291 PolarHBondContact O-N 2.93Å; Q289-E292 PolarHBondContact O-N 2.98Å; Q289-M293 WeakPolarHBondContact O-CB 2.85Å; Q289-M293 VanDerWaalsContact O-CG 3.28Å; Q289-M293 WeakPolarHBondContact O-CG 3.47Å; Q289-M293 PolarHBondContact O-N 3.36Å
290Q90.8Very high88.2Confident13 Ų1340.6 Ų40.66%0.06120%0.201CC..Hα-helixtrans-58.7-44173.3-67.5-179.420.500111.2V284 D286 L287 M293 G294 W302V284-Q290 HydrophobicContact CB-CG 4.18Å; V284-Q290 HydrophobicContact CG1-CG 4.48Å; V284-Q290 PolarHBondContact O-NE2 2.94Å; D286-Q290 WeakPolarHBondContact O-CG 3.48Å; D286-Q290 PolarHBondContact O-N 3.43Å; L287-Q290 WeakPolarHBondContact O-CB 3.47Å; L287-Q290 PolarHBondContact O-N 3.11Å; Q290-M293 PolarHBondContact O-N 3.48Å; Q290-G294 PolarHBondContact O-N 3.05Å; Q290-W302 HydrophobicContact CB-CB 4.22Å; Q290-W302 HydrophobicContact CB-CD2 3.81Å; Q290-W302 HydrophobicContact CB-CE3 4.41Å; Q290-W302 HydrophobicContact CB-CG 3.69Å; Q290-W302 VanDerWaalsContact CD-CE3 3.45Å; Q290-W302 HydrophobicContact CG-CB 3.95Å; Q290-W302 HydrophobicContact CG-CD2 3.54Å; Q290-W302 HydrophobicContact CG-CE3 3.68Å; Q290-W302 HydrophobicContact CG-CG 3.66Å; Q290-W302 HydrophobicContact CG-CZ3 4.37Å
291D84.5Confident88Confident52 Ų5246.8 Ų46.828%0.27822%0.224SC..Hα-helixtrans-66-35.3179.7-115.935.1000113.5L287 D288 Q289 R607 K641L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 2.8Å; D288-D291 WeakPolarHBondContact O-CB 3.4Å; D288-D291 PolarHBondContact O-N 2.88Å; Q289-D291 VanDerWaalsContact C-N 3.28Å; Q289-D291 PolarHBondContact O-N 2.93Å; D291-R607 IonicContact OD2-CZ 2.81Å; D291-R607 VanDerWaalsContact OD2-CZ 3.28Å; D291-R607 IonicContact OD2-NH1 2.88Å; D291-R607 PolarHBondContact OD2-NH1 2.83Å; D291-R607 IonicContact OD2-NH2 3.28Å; D291-R607 PolarHBondContact OD2-NH2 2.98Å; D291-K641 PolarHBondContact O-NZ 3.06Å; D291-K641 VanDerWaalsContact O-NZ 3.17Å; D291-K641 IonicContact OD2-NZ 3.83Å
292E83.9Confident87.8Confident42 Ų4247.8 Ų47.820%0.19623%0.227CC..Hα-helixtrans-69.3-39.7173.2176.9165.7-161.100111.5D288 Q289 S624 K644D288-E292 PolarHBondContact O-N 2.84Å; Q289-E292 PolarHBondContact O-N 2.98Å; E292-S624 PolarHBondContact O-OG 3.47Å; E292-K644 IonicContact OE1-NZ 3.89Å
293M86.9Confident87.7Confident11 Ų1148 Ų485%0.05423%0.228CC..Hα-helixtrans-70.2-41.9179.5-73.7-170.976.500113I98 I102 V284 Q289 Q290 R301 W302I98-M293 HydrophobicContact CB-CE 4.48Å; I98-M293 HydrophobicContact CD1-CE 4.41Å; I98-M293 HydrophobicContact CG1-CE 3.61Å; I98-M293 HydrophobicContact CG1-SD 4.18Å; I98-M293 HydrophobicContact CG2-SD 4.46Å; I102-M293 HydrophobicContact CD1-SD 4.33Å; I102-M293 HydrophobicContact CG2-CG 4.2Å; V284-M293 HydrophobicContact CG2-SD 4.08Å; Q289-M293 WeakPolarHBondContact O-CB 2.85Å; Q289-M293 VanDerWaalsContact O-CG 3.28Å; Q289-M293 WeakPolarHBondContact O-CG 3.47Å; Q289-M293 PolarHBondContact O-N 3.36Å; Q290-M293 PolarHBondContact O-N 3.48Å; M293-R301 HydrophobicContact CB-CB 4.37Å; M293-R301 HydrophobicContact CE-CB 4Å; M293-R301 WeakPolarHBondContact CE-O 3.42Å; M293-R301 WeakPolarHBondContact O-CD 3.49Å; M293-W302 HydrophobicContact CB-CB 4.25Å; M293-W302 HydrophobicContact CE-CB 4.46Å; M293-W302 HydrophobicContact SD-CB 3.76Å
294G83.4Confident87.6Confident2 Ų247.8 Ų47.82%0.02123%0.227CC..  trans64.3-150.9-179.100000113.9Q290 R301Q290-G294 PolarHBondContact O-N 3.05Å; G294-R301 PolarHBondContact O-N 2.78Å
295F81Confident87.6Confident116 Ų11647.8 Ų47.851%0.50923%0.227SC..BIsolated β-bridgetrans-123159.5-167.7-55.1-93.1000112.1L80 P300 R301 W302L80-F295 HydrophobicContact CD1-CB 4.17Å; L80-F295 HydrophobicContact CD1-CD1 3.44Å; L80-F295 VanDerWaalsContact CD1-CD1 3.44Å; L80-F295 HydrophobicContact CD1-CE1 4.12Å; L80-F295 HydrophobicContact CD1-CG 4.01Å; F295-P300 HydrophobicContact CD1-CB 3.78Å; F295-P300 HydrophobicContact CE1-CB 3.9Å; F295-R301 PolarHBondContact O-NE 3.07Å; F295-W302 AromaticContact CE1-CZ2 3.97Å; F295-W302 HydrophobicContact CE1-CZ2 3.97Å; F295-W302 AromaticContact CE1-NE1 3.87Å; F295-W302 HydrophobicContact CZ-CZ2 4.26Å; F295-W302 AromaticContact CZ-NE1 3.96Å
296T78.7Confident87.6Confident56 Ų5649 Ų4934%0.34423%0.232SC..  trans-89.3-179.7155.473.70000108.8K298 S299 R301T296-K298 PolarHBondContact O-N 2.79Å; T296-K298 VanDerWaalsContact O-N 3.15Å; T296-K298 PolarHBondContact OG1-N 3.34Å; T296-S299 WeakPolarHBondContact CB-O 3.4Å; T296-S299 PolarHBondContact N-O 2.85Å; T296-S299 PolarHBondContact OG1-N 3.45Å; T296-S299 PolarHBondContact OG1-O 3.13Å; T296-S299 PolarHBondContact OG1-OG 2.78Å; T296-R301 HydrophobicContact CG2-CG 3.82Å
297Q68.3Low87.4Confident142 Ų14246.9 Ų46.966%0.66422%0.22SC*.SBendtrans-60.1-23.9174.4-73-178.41700114
298K73.4Confident87.2Confident160 Ų16046.6 Ų46.670%0.69622%0.218SC*.SBendtrans-124.2-18.3-170.3-64-174.9-179.9-179.40114.5S81 T296S81-K298 PolarHBondContact N-O 3.22Å; T296-K298 PolarHBondContact O-N 2.79Å; T296-K298 VanDerWaalsContact O-N 3.15Å; T296-K298 PolarHBondContact OG1-N 3.34Å
299S82.5Confident86.5Confident21 Ų2146.9 Ų46.915%0.14723%0.225CC..SBendtrans-153.8151.2-173.566.90000113.4S81 T296S81-S299 WeakPolarHBondContact O-CA 3.47Å; S81-S299 WeakPolarHBondContact O-CB 3.17Å; T296-S299 WeakPolarHBondContact CB-O 3.4Å; T296-S299 PolarHBondContact N-O 2.85Å; T296-S299 PolarHBondContact OG1-N 3.45Å; T296-S299 PolarHBondContact OG1-O 3.13Å; T296-S299 PolarHBondContact OG1-OG 2.78Å
300P87.6Confident85.5Confident12 Ų1246.1 Ų46.18%0.07823%0.225CC..BIsolated β-bridgetrans-59.8147.9168.327-34.5000111.3S81 L82 F295 W302 A303S81-P300 VanDerWaalsContact O-CD 3.27Å; S81-P300 WeakPolarHBondContact O-CD 3.17Å; L82-P300 HydrophobicContact CD2-CG 3.78Å; F295-P300 HydrophobicContact CD1-CB 3.78Å; F295-P300 HydrophobicContact CE1-CB 3.9Å; P300-W302 HydrophobicContact CB-CD2 3.74Å; P300-W302 HydrophobicContact CB-CE3 4.37Å; P300-W302 HydrophobicContact CB-CG 4.13Å; P300-W302 HydrophobicContact CB-CH2 4.3Å; P300-W302 HydrophobicContact CB-CZ2 3.67Å; P300-W302 HydrophobicContact CG-CZ2 4.32Å; P300-A303 HydrophobicContact CB-CB 4.49Å; P300-A303 HydrophobicContact CG-CB 3.93Å
301R91.7Very high84.7Confident129 Ų12950.4 Ų50.449%0.48725%0.245SC..SBendtrans-81.5-24.7174-71.2169.4174.8-101.13.7112.3F94 M293 G294 F295 T296F94-R301 WeakPolarHBondContact CE2-O 3.49Å; M293-R301 HydrophobicContact CB-CB 4.37Å; M293-R301 HydrophobicContact CE-CB 4Å; M293-R301 WeakPolarHBondContact CE-O 3.42Å; M293-R301 WeakPolarHBondContact O-CD 3.49Å; G294-R301 PolarHBondContact O-N 2.78Å; F295-R301 PolarHBondContact O-NE 3.07Å; T296-R301 HydrophobicContact CG2-CG 3.82Å
302W94.1Very high84.7Confident36 Ų3652.1 Ų52.114%0.13625%0.252CS..SBendtrans-89-0.5-176.450.4-101.8000114.1K283 V284 Q290 M293 F295 P300K283-W302 WeakPolarHBondContact CA-O 3.25Å; K283-W302 HydrophobicContact CB-CE3 4.32Å; K283-W302 HydrophobicContact CB-CZ3 4.25Å; K283-W302 HydrophobicContact CD-CZ3 4.26Å; K283-W302 HydrophobicContact CG-CZ3 4.15Å; V284-W302 HydrophobicContact CB-CB 4.13Å; V284-W302 HydrophobicContact CG2-CB 3.93Å; V284-W302 PolarHBondContact N-O 3.48Å; Q290-W302 HydrophobicContact CB-CB 4.22Å; Q290-W302 HydrophobicContact CB-CD2 3.81Å; Q290-W302 HydrophobicContact CB-CE3 4.41Å; Q290-W302 HydrophobicContact CB-CG 3.69Å; Q290-W302 VanDerWaalsContact CD-CE3 3.45Å; Q290-W302 HydrophobicContact CG-CB 3.95Å; Q290-W302 HydrophobicContact CG-CD2 3.54Å; Q290-W302 HydrophobicContact CG-CE3 3.68Å; Q290-W302 HydrophobicContact CG-CG 3.66Å; Q290-W302 HydrophobicContact CG-CZ3 4.37Å; M293-W302 HydrophobicContact CB-CB 4.25Å; M293-W302 HydrophobicContact CE-CB 4.46Å; M293-W302 HydrophobicContact SD-CB 3.76Å; F295-W302 AromaticContact CE1-CZ2 3.97Å; F295-W302 HydrophobicContact CE1-CZ2 3.97Å; F295-W302 AromaticContact CE1-NE1 3.87Å; F295-W302 HydrophobicContact CZ-CZ2 4.26Å; F295-W302 AromaticContact CZ-NE1 3.96Å; P300-W302 HydrophobicContact CB-CD2 3.74Å; P300-W302 HydrophobicContact CB-CE3 4.37Å; P300-W302 HydrophobicContact CB-CG 4.13Å; P300-W302 HydrophobicContact CB-CH2 4.3Å; P300-W302 HydrophobicContact CB-CZ2 3.67Å; P300-W302 HydrophobicContact CG-CZ2 4.32Å
303A96.2Very high85Confident3 Ų351 Ų513%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-137.3146.7176.100000113.4L82 I282 K283 P300L82-A303 HydrophobicContact CD2-CB 3.69Å; I282-A303 CarbonylContact O-C 3.56Å; I282-A303 WeakPolarHBondContact O-CA 3.24Å; K283-A303 HydrophobicContact CB-CB 4.38Å; K283-A303 HydrophobicContact CG-CB 3.94Å; P300-A303 HydrophobicContact CB-CB 4.49Å; P300-A303 HydrophobicContact CG-CB 3.93Å
304I97Very high85.3Confident9 Ų953.5 Ų53.55%0.04626%0.264CS..EExtended strand (participates in β ladder)trans-141.1145.9177.7-162.2165.3000110.3G83 A85 L91 F94 I282G83-I304 WeakPolarHBondContact O-CG1 3.34Å; A85-I304 HydrophobicContact CB-CD1 3.74Å; A85-I304 HydrophobicContact CB-CG1 4.12Å; L91-I304 HydrophobicContact CD2-CG2 4.01Å; F94-I304 HydrophobicContact CB-CD1 3.95Å; F94-I304 HydrophobicContact CD1-CB 4.41Å; F94-I304 HydrophobicContact CD1-CG2 3.6Å; F94-I304 HydrophobicContact CD2-CB 3.89Å; F94-I304 HydrophobicContact CD2-CD1 3.98Å; F94-I304 HydrophobicContact CD2-CG2 4Å; F94-I304 HydrophobicContact CE1-CB 4.29Å; F94-I304 HydrophobicContact CE1-CG2 3.52Å; F94-I304 HydrophobicContact CE2-CB 3.77Å; F94-I304 HydrophobicContact CE2-CG2 3.94Å; F94-I304 HydrophobicContact CG-CB 4.2Å; F94-I304 HydrophobicContact CG-CD1 4.02Å; F94-I304 HydrophobicContact CG-CG2 3.82Å; F94-I304 HydrophobicContact CZ-CB 3.95Å; F94-I304 HydrophobicContact CZ-CG2 3.67Å; I282-I304 HydrophobicContact CB-CG2 4.07Å; I282-I304 HydrophobicContact CD1-CG2 3.97Å; I282-I304 PolarHBondContact N-O 3.47Å; I282-I304 PolarHBondContact O-N 3.21Å
305A96.2Very high85.9Confident0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-99.2111.2172.300000109.5L82 G83 N84 A85 K112 I280 K307L82-A305 HydrophobicContact CB-CB 4.02Å; L82-A305 HydrophobicContact CD1-CB 4.08Å; G83-A305 PolarHBondContact O-N 3.09Å; N84-A305 CarbonylContact C-O 3.54Å; N84-A305 WeakPolarHBondContact CA-O 3.37Å; A85-A305 PolarHBondContact N-O 3.49Å; K112-A305 HydrophobicContact CD-CB 3.93Å; I280-A305 CarbonylContact O-C 3.44Å; I280-A305 WeakPolarHBondContact O-CA 3.5Å; A305-K307 PolarHBondContact O-N 2.79Å
306Y96.3Very high86.7Confident29 Ų2952.5 Ų52.511%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-75.6117.6164.5178.7-97.2000109.1A85 L91 I263 G279 I280 F308A85-Y306 HydrophobicContact CB-CD2 4.34Å; A85-Y306 WeakPolarHBondContact O-CA 3.49Å; L91-Y306 HydrophobicContact CD1-CD2 3.57Å; L91-Y306 HydrophobicContact CD1-CE2 4.15Å; L91-Y306 HydrophobicContact CD1-CG 4.16Å; L91-Y306 HydrophobicContact CD2-CD2 4.36Å; L91-Y306 HydrophobicContact CG-CD2 3.99Å; I263-Y306 HydrophobicContact CB-CD1 4.48Å; I263-Y306 HydrophobicContact CB-CE1 4.49Å; I263-Y306 HydrophobicContact CD1-CD1 3.82Å; I263-Y306 HydrophobicContact CD1-CD2 4.07Å; I263-Y306 HydrophobicContact CD1-CE1 4.34Å; I263-Y306 HydrophobicContact CD1-CG 3.66Å; I263-Y306 HydrophobicContact CG1-CD1 3.97Å; I263-Y306 HydrophobicContact CG1-CE1 4.45Å; I263-Y306 HydrophobicContact CG1-CG 4.29Å; I263-Y306 HydrophobicContact CG2-CD1 3.66Å; I263-Y306 HydrophobicContact CG2-CE1 3.28Å; G279-Y306 CarbonylContact C-O 3.54Å; G279-Y306 WeakPolarHBondContact CA-O 3.28Å; I280-Y306 PolarHBondContact N-O 3.1Å; I280-Y306 PolarHBondContact O-N 2.86Å; Y306-F308 HydrophobicContact CD1-CD1 4.39Å; Y306-F308 HydrophobicContact CE1-CD1 4.05Å
307K91.1Very high87.6Confident11 Ų1149.8 Ų49.85%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-88.6132.8176.1-71.1-60.7-151.6132.90109.8A85 F86 D278 A305 G374 D375A85-K307 PolarHBondContact O-N 2.69Å; F86-K307 HydrophobicContact CD1-CB 3.93Å; F86-K307 HydrophobicContact CD1-CG 4.42Å; F86-K307 HydrophobicContact CE1-CB 4.04Å; F86-K307 HydrophobicContact CE1-CG 4.05Å; D278-K307 VanDerWaalsContact O-CD 3.25Å; D278-K307 WeakPolarHBondContact O-CD 3.48Å; D278-K307 IonicContact OD2-NZ 2.62Å; D278-K307 PolarHBondContact OD2-NZ 3.43Å; A305-K307 PolarHBondContact O-N 2.79Å; K307-G374 PolarHBondContact NZ-O 2.83Å; K307-D375 IonicContact NZ-OD2 3.86Å; K307-D375 PolarHBondContact NZ-OD2 3.46Å
308F86.1Confident88.9Confident10 Ų1046.9 Ų46.94%0.04423%0.232CC..PPolyproline II helixtrans-61152.5172.4-65.4-48.3000110.3T267 I277 I280 Y306 A310T267-F308 HydrophobicContact CG2-CD1 4.35Å; T267-F308 WeakPolarHBondContact OG1-CD1 3.45Å; T267-F308 WeakPolarHBondContact OG1-CE1 3.46Å; I277-F308 HydrophobicContact CD1-CE2 3.64Å; I277-F308 HydrophobicContact CD1-CZ 3.97Å; I277-F308 HydrophobicContact CG1-CE2 3.89Å; I280-F308 HydrophobicContact CD1-CE1 4.49Å; I280-F308 HydrophobicContact CD1-CZ 3.92Å; I280-F308 HydrophobicContact CG1-CE1 4.14Å; I280-F308 HydrophobicContact CG1-CZ 4.04Å; Y306-F308 HydrophobicContact CD1-CD1 4.39Å; Y306-F308 HydrophobicContact CE1-CD1 4.05Å; F308-A310 PolarHBondContact O-N 3.09Å; F308-A310 VanDerWaalsContact O-N 3.11Å
309P74.6Confident90Very high88 Ų8843.4 Ų43.457%0.57122%0.22SC*.PPolyproline II helixtrans-51.5123171.9-26.434.7000110.2
310A70.6Confident90.7Very high26 Ų2642.9 Ų42.922%0.21522%0.216CC..PPolyproline II helixtrans-62146.2-179.800000110.2F308 E312 K371 K372F308-A310 PolarHBondContact O-N 3.09Å; F308-A310 VanDerWaalsContact O-N 3.11Å; A310-E312 PolarHBondContact O-N 2.75Å; A310-E312 VanDerWaalsContact O-N 3.14Å; A310-K371 HydrophobicContact CB-CB 4.14Å; A310-K371 HydrophobicContact CB-CD 4.31Å; A310-K371 HydrophobicContact CB-CG 4.5Å; A310-K372 WeakPolarHBondContact CB-O 3.1Å
311E74.3Confident91Very high103 Ų10346.8 Ų46.848%0.48123%0.233SC..PPolyproline II helixtrans-59.6117.3171.8-171.6-176.4-175.300109.6V313 A342E311-V313 HydrophobicContact CG-CG1 4.12Å; E311-A342 WeakPolarHBondContact OE2-CA 3.11Å; E311-A342 PolarHBondContact OE2-N 2.95Å
312E85.4Confident91.1Very high88 Ų8842.2 Ų42.241%0.41122%0.218SC..PPolyproline II helixtrans-93123.6171.2-74.8-166.4172.600109.1A310 V369 K371 R382A310-E312 PolarHBondContact O-N 2.75Å; A310-E312 VanDerWaalsContact O-N 3.14Å; E312-V369 HydrophobicContact CB-CG1 3.69Å; E312-V369 HydrophobicContact CG-CG1 3.91Å; E312-V369 WeakPolarHBondContact OE2-CG1 3.17Å; E312-K371 HydrophobicContact CG-CB 4.12Å; E312-R382 IonicContact OE1-NH1 2.7Å; E312-R382 IonicContact OE2-CZ 3.4Å; E312-R382 IonicContact OE2-NH1 2.93Å; E312-R382 PolarHBondContact OE2-NH1 3.07Å; E312-R382 IonicContact OE2-NH2 3.24Å; E312-R382 PolarHBondContact OE2-NH2 3.43Å
313V89.2Confident90.9Very high20 Ų2043.1 Ų43.112%0.12123%0.23CC..EExtended strand (participates in β ladder)trans-118.9156.7172.8-53.90000110.6E311 V339 V341 V369 V370E311-V313 HydrophobicContact CG-CG1 4.12Å; V313-V339 HydrophobicContact CB-CG2 4.2Å; V313-V339 HydrophobicContact CG2-CB 4.4Å; V313-V339 HydrophobicContact CG2-CG1 3.78Å; V313-V339 HydrophobicContact CG2-CG2 3.69Å; V313-V341 HydrophobicContact CG1-CG2 4.37Å; V313-V341 HydrophobicContact CG2-CG2 3.43Å; V313-V341 VanDerWaalsContact CG2-CG2 3.43Å; V313-V369 CarbonylContact O-C 3.42Å; V313-V369 WeakPolarHBondContact O-CA 3.45Å; V313-V370 HydrophobicContact CG2-CB 4.44Å; V313-V370 PolarHBondContact N-O 2.97Å; V313-V370 PolarHBondContact O-N 3.21Å
314V94Very high90.6Very high63 Ų6343.8 Ų43.838%0.38223%0.233SC..EExtended strand (participates in β ladder)trans-99.6131.2173.6-176.10000109.2V368 V369 I384V314-V368 WeakPolarHBondContact CA-O 3.31Å; V314-V369 HydrophobicContact CG2-CG2 4.35Å; V314-I384 HydrophobicContact CB-CD1 4.21Å; V314-I384 HydrophobicContact CG1-CD1 3.5Å; V314-I384 VanDerWaalsContact CG1-CD1 3.5Å; V314-I384 HydrophobicContact CG2-CD1 3.61Å
315T96.3Very high90Very high11 Ų1144.4 Ų44.47%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-142.1170170.6-169.90000110.6L336 E337 V339 V368 V370T315-L336 HydrophobicContact CG2-CB 3.93Å; T315-L336 HydrophobicContact CG2-CD1 4.14Å; T315-L336 HydrophobicContact CG2-CD2 3.73Å; T315-L336 HydrophobicContact CG2-CG 4.14Å; T315-E337 PolarHBondContact OG1-O 3.12Å; T315-V339 HydrophobicContact CG2-CB 4.46Å; T315-V339 HydrophobicContact CG2-CG1 3.82Å; T315-V368 HydrophobicContact CG2-CG2 4.24Å; T315-V368 PolarHBondContact N-O 2.92Å; T315-V368 WeakPolarHBondContact O-CG2 3.39Å; T315-V368 PolarHBondContact O-N 3.19Å; T315-V370 HydrophobicContact CG2-CG2 3.72Å
316K96.5Very high89.5Confident85 Ų8548.3 Ų48.337%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-87.3132.9177.1-168.7174.7-178.5178.30111.1L318 L336 E337 G365 D366K316-L318 HydrophobicContact CB-CD2 4.47Å; K316-L318 HydrophobicContact CD-CD2 4.17Å; K316-L318 HydrophobicContact CG-CD2 4.24Å; K316-L318 PolarHBondContact O-N 3Å; K316-L336 WeakPolarHBondContact O-CA 2.87Å; K316-E337 HydrophobicContact CB-CB 4.07Å; K316-E337 PolarHBondContact O-N 3.34Å; K316-G365 WeakPolarHBondContact CE-O 3.29Å; K316-D366 WeakPolarHBondContact CA-O 3.46Å
317L97.3Very high88.8Confident0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-79110.4166.6178.760.6000108.9D319 I320 A334 L336 I362 R363 G365 D366 V368L317-D319 VanDerWaalsContact CD1-O 3.31Å; L317-D319 WeakPolarHBondContact CD1-O 3.25Å; L317-I320 HydrophobicContact CD1-CG1 4.33Å; L317-I320 HydrophobicContact CD2-CD1 4.32Å; L317-I320 HydrophobicContact CD2-CG1 4.37Å; L317-A334 HydrophobicContact CD1-CB 3.5Å; L317-A334 VanDerWaalsContact CD1-CB 3.5Å; L317-L336 HydrophobicContact CD1-CD2 4.17Å; L317-I362 HydrophobicContact CD2-CG2 3.35Å; L317-R363 WeakPolarHBondContact CD2-O 3.43Å; L317-G365 VanDerWaalsContact O-CA 3.28Å; L317-G365 WeakPolarHBondContact O-CA 3.38Å; L317-G365 PolarHBondContact O-N 3.3Å; L317-D366 PolarHBondContact N-O 3.1Å; L317-V368 HydrophobicContact CB-CG1 3.97Å; L317-V368 HydrophobicContact CB-CG2 4.13Å; L317-V368 HydrophobicContact CD2-CG1 4.43Å
318L96.9Very high88.6Confident81 Ų8149.1 Ų49.142%0.42427%0.265SS..EExtended strand (participates in β ladder)trans-84.2-43.5-177.5-59.8179.3000112.1K316 I335 E337 I364K316-L318 HydrophobicContact CB-CD2 4.47Å; K316-L318 HydrophobicContact CD-CD2 4.17Å; K316-L318 HydrophobicContact CG-CD2 4.24Å; K316-L318 PolarHBondContact O-N 3Å; L318-I335 WeakPolarHBondContact CA-O 3.43Å; L318-I335 HydrophobicContact CB-CG2 4.41Å; L318-I335 WeakPolarHBondContact CB-O 3.45Å; L318-I335 PolarHBondContact N-O 2.84Å; L318-E337 HydrophobicContact CD1-CB 4.38Å; L318-E337 HydrophobicContact CD2-CB 4.35Å; L318-E337 HydrophobicContact CG-CB 4.39Å; L318-I364 WeakPolarHBondContact O-CG2 3.34Å
319D96.6Very high88.7Confident86 Ų8650.2 Ų50.246%0.4627%0.272SS..EExtended strand (participates in β ladder)trans-162.5174.2-178.4-157.4-1.6000110.5L317 I335L317-D319 VanDerWaalsContact CD1-O 3.31Å; L317-D319 WeakPolarHBondContact CD1-O 3.25Å; D319-I335 HydrophobicContact CB-CB 4.2Å; D319-I335 HydrophobicContact CB-CG1 4.32Å; D319-I335 PolarHBondContact N-O 2.89Å; D319-I335 WeakPolarHBondContact O-CB 3.22Å; D319-I335 PolarHBondContact O-N 3.1Å
320I95.9Very high89.6Confident11 Ų1146.2 Ų46.26%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-124118.4172.6-63.4173.5000108.8L317 L322 P332 T333 L351 I357 I364 Y395L317-I320 HydrophobicContact CD1-CG1 4.33Å; L317-I320 HydrophobicContact CD2-CD1 4.32Å; L317-I320 HydrophobicContact CD2-CG1 4.37Å; I320-L322 HydrophobicContact CG2-CD2 4.41Å; I320-P332 HydrophobicContact CG2-CB 3.85Å; I320-T333 WeakPolarHBondContact CA-O 3.33Å; I320-L351 HydrophobicContact CB-CD1 4.41Å; I320-L351 HydrophobicContact CD1-CD1 3.6Å; I320-L351 HydrophobicContact CG1-CD1 3.65Å; I320-L351 HydrophobicContact CG2-CD1 3.93Å; I320-I357 HydrophobicContact CD1-CD1 4.42Å; I320-I364 HydrophobicContact CD1-CG1 4.32Å; I320-I364 HydrophobicContact CG1-CG1 4.3Å; I320-Y395 HydrophobicContact CB-CD2 4.11Å; I320-Y395 HydrophobicContact CB-CE2 3.8Å; I320-Y395 HydrophobicContact CD1-CD1 3.8Å; I320-Y395 HydrophobicContact CD1-CD2 3.83Å; I320-Y395 HydrophobicContact CD1-CE1 4.31Å; I320-Y395 HydrophobicContact CD1-CE2 4.32Å; I320-Y395 HydrophobicContact CD1-CG 3.54Å; I320-Y395 HydrophobicContact CG1-CD2 4.42Å; I320-Y395 HydrophobicContact CG2-CE1 4.01Å; I320-Y395 HydrophobicContact CG2-CE2 4.04Å
321E94.3Very high90.5Very high94 Ų9447 Ų4744%0.43925%0.249SC..EExtended strand (participates in β ladder)trans-95.6142.6173.6-174.3-177.9-130.700110.3T333 I335 R348E321-T333 PolarHBondContact N-O 3.44Å; E321-T333 PolarHBondContact O-N 3.43Å; E321-I335 HydrophobicContact CB-CD1 3.97Å; E321-I335 HydrophobicContact CB-CG1 4.19Å; E321-R348 IonicContact OE2-CZ 3.68Å; E321-R348 IonicContact OE2-NH1 3.86Å; E321-R348 PolarHBondContact OE2-NH1 2.88Å; E321-R348 IonicContact OE2-NH2 3.15Å; E321-R348 PolarHBondContact OE2-NH2 2.86Å
322L94.2Very high91.5Very high33 Ų3342.1 Ų42.117%0.17323%0.226CC..EExtended strand (participates in β ladder)trans-105.6131.5176.4-61-177.7000111.1I320 V330 P332 Y395 M397 P398 P402I320-L322 HydrophobicContact CG2-CD2 4.41Å; L322-V330 HydrophobicContact CB-CG1 4.13Å; L322-V330 HydrophobicContact CD1-CG1 3.92Å; L322-V330 HydrophobicContact CD2-CG1 4.07Å; L322-V330 HydrophobicContact CG-CG1 4.27Å; L322-P332 HydrophobicContact CD2-CB 4Å; L322-Y395 WeakPolarHBondContact CD1-OH 3.25Å; L322-Y395 VanDerWaalsContact CD2-OH 3.29Å; L322-Y395 WeakPolarHBondContact CD2-OH 3.26Å; L322-Y395 WeakPolarHBondContact CG-OH 3.47Å; L322-M397 HydrophobicContact CD1-SD 4.09Å; L322-M397 HydrophobicContact CD2-CE 3.92Å; L322-M397 HydrophobicContact CD2-SD 3.58Å; L322-M397 VanDerWaalsContact CD2-SD 3.58Å; L322-M397 HydrophobicContact CG-SD 4.49Å; L322-P398 HydrophobicContact CD1-CG 3.49Å; L322-P398 VanDerWaalsContact CD1-CG 3.49Å; L322-P402 HydrophobicContact CB-CG 4.18Å; L322-P402 HydrophobicContact CD1-CG 4.27Å
323S89.4Confident91.9Very high55 Ų5539 Ų3939%0.38521%0.213SC..EExtended strand (participates in β ladder)trans-111.7146.3166.561.60000110.3V330 T331S323-V330 CarbonylContact O-C 3.59Å; S323-V330 WeakPolarHBondContact O-CA 3.42Å; S323-T331 PolarHBondContact N-O 3.49Å; S323-T331 VanDerWaalsContact N-O 3.09Å; S323-T331 PolarHBondContact O-N 2.68Å
324I90.6Very high92.3Very high16 Ų1638 Ų388%0.08221%0.207CC..EExtended strand (participates in β ladder)trans-104.8114.3173-58.481.2000106.8V329 P402 C419 A426 Q427I324-V329 WeakPolarHBondContact CA-O 3.41Å; I324-P402 HydrophobicContact CD1-CG 3.84Å; I324-C419 HydrophobicContact CG2-CB 4.38Å; I324-A426 HydrophobicContact CB-CB 3.74Å; I324-A426 HydrophobicContact CD1-CB 4.25Å; I324-A426 HydrophobicContact CG1-CB 4.36Å; I324-A426 HydrophobicContact CG2-CB 4.26Å; I324-Q427 HydrophobicContact CG2-CG 3.83Å
325G85Confident92.4Very high22 Ų2237.1 Ų37.123%0.22720%0.199CC..  trans-74.4168.8175.700000112.4T327 G328 V329G325-T327 PolarHBondContact O-N 3.02Å; G325-G328 WeakPolarHBondContact O-CA 3.36Å; G325-G328 PolarHBondContact O-N 3.44Å; G325-V329 PolarHBondContact N-O 3.47Å
326R84.1Confident92.5Very high83 Ų8336.7 Ų36.731%0.31320%0.197SC..THydrogen-bonded Turntrans-45.1-37.3177.8-174.4-171.369-163.8-1.4115.2G328 E430 H434R326-G328 VanDerWaalsContact C-N 3.32Å; R326-E430 HydrophobicContact CB-CB 3.93Å; R326-H434 PolarHBondContact NH1-CD2 2.89Å; R326-H434 PolarHBondContact NH1-CE1 2.82Å; R326-H434 PolarHBondContact NH1-ND1 3.31Å; R326-H434 PolarHBondContact NH1-NE2 3.1Å
327T82.1Confident92.5Very high56 Ų5637.7 Ų37.734%0.34420%0.203SC..THydrogen-bonded Turntrans-95.116.7-177.663.90000113.3G325 V329 R418G325-T327 PolarHBondContact O-N 3.02Å; T327-V329 VanDerWaalsContact C-N 3.29Å; T327-V329 PolarHBondContact O-N 2.8Å; T327-R418 PolarHBondContact O-NH1 3.34Å; T327-R418 PolarHBondContact OG1-NH1 2.92Å
328G87.6Confident92.5Very high0 Ų041.9 Ų41.90%023%0.23CC..SBendtrans82.2-5.3-179.800000115G325 R326 V330 R418 C419G325-G328 WeakPolarHBondContact O-CA 3.36Å; G325-G328 PolarHBondContact O-N 3.44Å; R326-G328 VanDerWaalsContact C-N 3.32Å; G328-V330 PolarHBondContact O-N 2.67Å; G328-R418 CarbonylContact O-C 3.54Å; G328-R418 VanDerWaalsContact O-CA 3.24Å; G328-R418 WeakPolarHBondContact O-CA 3.33Å; G328-C419 WeakPolarHBondContact CA-O 3.38Å; G328-C419 PolarHBondContact O-N 2.98Å
329V88.6Confident92.3Very high33 Ų3339.4 Ų39.420%0.222%0.218CC..BIsolated β-bridgetrans-58.1124.8179.4-179.90000110.5I324 G325 T327 A416 R418I324-V329 WeakPolarHBondContact CA-O 3.41Å; G325-V329 PolarHBondContact N-O 3.47Å; T327-V329 VanDerWaalsContact C-N 3.29Å; T327-V329 PolarHBondContact O-N 2.8Å; V329-A416 HydrophobicContact CG1-CB 4.05Å; V329-A416 HydrophobicContact CG2-CB 4.22Å; V329-R418 HydrophobicContact CG2-CG 4.31Å; V329-R418 VanDerWaalsContact CG2-CZ 3.42Å
330V92.5Very high92Very high5 Ų542.6 Ų42.63%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-87111.4172.8-175.70000108.2L322 S323 G328 M397 L408 L417L322-V330 HydrophobicContact CB-CG1 4.13Å; L322-V330 HydrophobicContact CD1-CG1 3.92Å; L322-V330 HydrophobicContact CD2-CG1 4.07Å; L322-V330 HydrophobicContact CG-CG1 4.27Å; S323-V330 CarbonylContact O-C 3.59Å; S323-V330 WeakPolarHBondContact O-CA 3.42Å; G328-V330 PolarHBondContact O-N 2.67Å; V330-M397 HydrophobicContact CG1-SD 4.26Å; V330-L408 HydrophobicContact CG2-CD1 3.93Å; V330-L408 HydrophobicContact CG2-CD2 3.66Å; V330-L408 HydrophobicContact CG2-CG 4.46Å; V330-L417 PolarHBondContact N-O 3Å
331T90.7Very high91.4Very high42 Ų4242.1 Ų42.126%0.25823%0.226SC..EExtended strand (participates in β ladder)trans-107.7120.7-174.8-52.10000110.2S323S323-T331 PolarHBondContact N-O 3.49Å; S323-T331 VanDerWaalsContact N-O 3.09Å; S323-T331 PolarHBondContact O-N 2.68Å
332P94Very high90.5Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-79.4131.7175.130.3-29.4000111.6I320 L322 L351 I357 M397I320-P332 HydrophobicContact CG2-CB 3.85Å; L322-P332 HydrophobicContact CD2-CB 4Å; P332-L351 HydrophobicContact CB-CB 3.95Å; P332-L351 HydrophobicContact CB-CD1 4.2Å; P332-L351 HydrophobicContact CG-CB 3.82Å; P332-L351 PolarHBondContact O-N 2.77Å; P332-I357 HydrophobicContact CB-CD1 3.78Å; P332-I357 HydrophobicContact CG-CD1 3.82Å; P332-M397 HydrophobicContact CB-CE 3.55Å; P332-M397 HydrophobicContact CG-CE 3.4Å; P332-M397 VanDerWaalsContact CG-CE 3.4Å
333T94.4Very high89.5Confident22 Ų2239.5 Ų39.514%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-121122.4173.5-55.50000109.4I320 E321 I335 R348I320-T333 WeakPolarHBondContact CA-O 3.33Å; E321-T333 PolarHBondContact N-O 3.44Å; E321-T333 PolarHBondContact O-N 3.43Å; T333-I335 PolarHBondContact O-N 2.96Å; T333-R348 HydrophobicContact CG2-CB 4.14Å
334A96.7Very high89Confident0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-66.2130.2172.700000110.3L317 L336 R348 A349 L351 V380L317-A334 HydrophobicContact CD1-CB 3.5Å; L317-A334 VanDerWaalsContact CD1-CB 3.5Å; A334-L336 HydrophobicContact CB-CD2 4.12Å; A334-L336 HydrophobicContact CB-CG 4.23Å; A334-R348 VanDerWaalsContact O-CA 3.24Å; A334-R348 WeakPolarHBondContact O-CA 3.3Å; A334-A349 HydrophobicContact CB-CB 4.39Å; A334-A349 WeakPolarHBondContact CB-O 3.29Å; A334-A349 PolarHBondContact N-O 3.3Å; A334-A349 PolarHBondContact O-N 3.17Å; A334-A349 VanDerWaalsContact O-N 3.1Å; A334-L351 HydrophobicContact CB-CD1 3.94Å; A334-L351 HydrophobicContact CB-CD2 4.38Å; A334-L351 HydrophobicContact CB-CG 3.95Å; A334-V380 HydrophobicContact CB-CG2 3.77Å
335I97.7Very high88.9Confident44 Ų4441.7 Ų41.723%0.22624%0.241CC..EExtended strand (participates in β ladder)trans-94.6117.3165.4-52.6-55.7000107.1L318 D319 E321 T333 R348L318-I335 WeakPolarHBondContact CA-O 3.43Å; L318-I335 HydrophobicContact CB-CG2 4.41Å; L318-I335 WeakPolarHBondContact CB-O 3.45Å; L318-I335 PolarHBondContact N-O 2.84Å; D319-I335 HydrophobicContact CB-CB 4.2Å; D319-I335 HydrophobicContact CB-CG1 4.32Å; D319-I335 PolarHBondContact N-O 2.89Å; D319-I335 WeakPolarHBondContact O-CB 3.22Å; D319-I335 PolarHBondContact O-N 3.1Å; E321-I335 HydrophobicContact CB-CD1 3.97Å; E321-I335 HydrophobicContact CB-CG1 4.19Å; T333-I335 PolarHBondContact O-N 2.96Å; I335-R348 HydrophobicContact CD1-CG 4.26Å; I335-R348 VanDerWaalsContact CD1-NH1 3.26Å
336L97.4Very high89.2Confident3 Ų341 Ų412%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-111.4151.2-171.2-59.9165.5000110.6T315 K316 L317 A334 V346 S347 A349 V368 V370T315-L336 HydrophobicContact CG2-CB 3.93Å; T315-L336 HydrophobicContact CG2-CD1 4.14Å; T315-L336 HydrophobicContact CG2-CD2 3.73Å; T315-L336 HydrophobicContact CG2-CG 4.14Å; K316-L336 WeakPolarHBondContact O-CA 2.87Å; L317-L336 HydrophobicContact CD1-CD2 4.17Å; A334-L336 HydrophobicContact CB-CD2 4.12Å; A334-L336 HydrophobicContact CB-CG 4.23Å; L336-V346 HydrophobicContact CD1-CG1 4.11Å; L336-S347 PolarHBondContact N-O 3.1Å; L336-A349 HydrophobicContact CD1-CB 3.59Å; L336-V368 HydrophobicContact CD2-CG2 3.6Å; L336-V370 HydrophobicContact CD1-CG1 4.16Å; L336-V370 HydrophobicContact CD1-CG2 3.73Å; L336-V370 HydrophobicContact CD2-CG2 4.13Å
337E97Very high89.8Confident105 Ų10539.6 Ų39.649%0.49124%0.235SC..EExtended strand (participates in β ladder)trans-58.8126.2160.8-176.2168.3-144.400108.2T315 K316 L318 V339T315-E337 PolarHBondContact OG1-O 3.12Å; K316-E337 HydrophobicContact CB-CB 4.07Å; K316-E337 PolarHBondContact O-N 3.34Å; L318-E337 HydrophobicContact CD1-CB 4.38Å; L318-E337 HydrophobicContact CD2-CB 4.35Å; L318-E337 HydrophobicContact CG-CB 4.39Å; E337-V339 PolarHBondContact O-N 3.38Å; E337-V339 VanDerWaalsContact O-N 3.1Å
338P96.3Very high90.4Very high89 Ų8942 Ų4258%0.57824%0.238SC*.EExtended strand (participates in β ladder)trans-55.1119.6-173.8-28.135000112.3T345P338-T345 HydrophobicContact CB-CG2 3.8Å
339V93.6Very high90.7Very high29 Ų2942.2 Ų42.218%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-129.2147.6-178680000110.5V313 T315 E337 V341 T345 V346V313-V339 HydrophobicContact CB-CG2 4.2Å; V313-V339 HydrophobicContact CG2-CB 4.4Å; V313-V339 HydrophobicContact CG2-CG1 3.78Å; V313-V339 HydrophobicContact CG2-CG2 3.69Å; T315-V339 HydrophobicContact CG2-CB 4.46Å; T315-V339 HydrophobicContact CG2-CG1 3.82Å; E337-V339 PolarHBondContact O-N 3.38Å; E337-V339 VanDerWaalsContact O-N 3.1Å; V339-V341 HydrophobicContact CG1-CG2 4.02Å; V339-T345 CarbonylContact O-C 3.58Å; V339-T345 WeakPolarHBondContact O-CA 3.47Å; V339-V346 HydrophobicContact CG1-CB 4.45Å; V339-V346 PolarHBondContact N-O 3.24Å; V339-V346 PolarHBondContact O-N 2.73Å
340K89.6Confident90.8Very high153 Ų15342 Ų4267%0.66524%0.239SC*.EExtended strand (participates in β ladder)trans-81.4129.5173.4-71.4-171.4176.5-176.10110.2T344K340-T344 CarbonylContact C-O 3.43Å; K340-T344 WeakPolarHBondContact CA-O 3.31Å
341V84Confident90.8Very high1 Ų141.9 Ų41.91%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-135.7121.5173.6-167.10000108.4V313 V339 G343 T344 V346 K372V313-V341 HydrophobicContact CG1-CG2 4.37Å; V313-V341 HydrophobicContact CG2-CG2 3.43Å; V313-V341 VanDerWaalsContact CG2-CG2 3.43Å; V339-V341 HydrophobicContact CG1-CG2 4.02Å; V341-G343 VanDerWaalsContact C-N 3.26Å; V341-G343 PolarHBondContact O-N 3.23Å; V341-T344 PolarHBondContact N-O 2.88Å; V341-T344 PolarHBondContact O-N 2.91Å; V341-T344 VanDerWaalsContact O-N 3.14Å; V341-T344 PolarHBondContact O-OG1 3.33Å; V341-T344 VanDerWaalsContact O-OG1 3.05Å; V341-V346 HydrophobicContact CB-CG2 3.86Å; V341-V346 HydrophobicContact CG2-CB 4.01Å; V341-V346 HydrophobicContact CG2-CG2 3.71Å; V341-K372 HydrophobicContact CB-CG 4.44Å; V341-K372 HydrophobicContact CG1-CD 4.35Å; V341-K372 HydrophobicContact CG1-CG 4.01Å
342A74.8Confident90.4Very high32 Ų3243.4 Ų43.426%0.26424%0.243SC..THydrogen-bonded Turntrans48.148.4-177.600000112.5E311 T344 K372E311-A342 WeakPolarHBondContact OE2-CA 3.11Å; E311-A342 PolarHBondContact OE2-N 2.95Å; A342-T344 VanDerWaalsContact C-N 3.27Å; A342-T344 PolarHBondContact O-N 3.29Å; A342-K372 HydrophobicContact CB-CD 4.33Å
343G73.3Confident90.1Very high39 Ų3945.2 Ų45.240%0.40225%0.252SS..THydrogen-bonded Turntrans79.9-14.7177.700000116.5A191 V341A191-G343 WeakPolarHBondContact CB-O 3.48Å; A191-G343 CarbonylContact O-C 3.57Å; A191-G343 WeakPolarHBondContact O-CA 3.31Å; V341-G343 VanDerWaalsContact C-N 3.26Å; V341-G343 PolarHBondContact O-N 3.23Å
344T78.4Confident89.9Confident24 Ų2445.6 Ų45.615%0.14725%0.253CS..EExtended strand (participates in β ladder)trans-105.4148.9179.764.30000112.5A191 K340 V341 A342 V346 K372A191-T344 HydrophobicContact CB-CG2 3.53Å; K340-T344 CarbonylContact C-O 3.43Å; K340-T344 WeakPolarHBondContact CA-O 3.31Å; V341-T344 PolarHBondContact N-O 2.88Å; V341-T344 PolarHBondContact O-N 2.91Å; V341-T344 VanDerWaalsContact O-N 3.14Å; V341-T344 PolarHBondContact O-OG1 3.33Å; V341-T344 VanDerWaalsContact O-OG1 3.05Å; A342-T344 VanDerWaalsContact C-N 3.27Å; A342-T344 PolarHBondContact O-N 3.29Å; T344-V346 PolarHBondContact O-N 2.77Å; T344-K372 WeakPolarHBondContact OG1-CE 3.28Å; T344-K372 PolarHBondContact OG1-NZ 3.05Å
345T90.2Very high89.4Confident94 Ų9448 Ų4858%0.57727%0.266SS*.EExtended strand (participates in β ladder)trans-75.4123.2170.1-53.50000110.9P338 V339P338-T345 HydrophobicContact CB-CG2 3.8Å; V339-T345 CarbonylContact O-C 3.58Å; V339-T345 WeakPolarHBondContact O-CA 3.47Å
346V90.6Very high88.9Confident6 Ų648 Ų484%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-107.4120.6174.1176.50000108.4L336 V339 V341 T344 R348 V370 P378L336-V346 HydrophobicContact CD1-CG1 4.11Å; V339-V346 HydrophobicContact CG1-CB 4.45Å; V339-V346 PolarHBondContact N-O 3.24Å; V339-V346 PolarHBondContact O-N 2.73Å; V341-V346 HydrophobicContact CB-CG2 3.86Å; V341-V346 HydrophobicContact CG2-CB 4.01Å; V341-V346 HydrophobicContact CG2-CG2 3.71Å; T344-V346 PolarHBondContact O-N 2.77Å; V346-R348 WeakPolarHBondContact CG1-O 3.45Å; V346-V370 HydrophobicContact CG1-CG1 4.23Å; V346-P378 HydrophobicContact CG1-CB 3.55Å; V346-P378 HydrophobicContact CG1-CG 3.85Å; V346-P378 HydrophobicContact CG2-CB 4.24Å; V346-P378 HydrophobicContact CG2-CG 3.9Å
347S95.5Very high88.6Confident55 Ų5548 Ų4839%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-119.3-4.6172.356.30000112.7L336L336-S347 PolarHBondContact N-O 3.1Å
348R95.9Very high88.4Confident106 Ų10646.4 Ų46.440%0.426%0.258SS..EExtended strand (participates in β ladder)trans-140.4138.6-179.2-62.817665.594.4-0.2109.8E321 T333 A334 I335 V346E321-R348 IonicContact OE2-CZ 3.68Å; E321-R348 IonicContact OE2-NH1 3.86Å; E321-R348 PolarHBondContact OE2-NH1 2.88Å; E321-R348 IonicContact OE2-NH2 3.15Å; E321-R348 PolarHBondContact OE2-NH2 2.86Å; T333-R348 HydrophobicContact CG2-CB 4.14Å; A334-R348 VanDerWaalsContact O-CA 3.24Å; A334-R348 WeakPolarHBondContact O-CA 3.3Å; I335-R348 HydrophobicContact CD1-CG 4.26Å; I335-R348 VanDerWaalsContact CD1-NH1 3.26Å; V346-R348 WeakPolarHBondContact CG1-O 3.45Å
349A93.2Very high88Confident4 Ų448.6 Ų48.63%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-143.5149.1177.600000111.7A334 L336 V370 P378 V380A334-A349 HydrophobicContact CB-CB 4.39Å; A334-A349 WeakPolarHBondContact CB-O 3.29Å; A334-A349 PolarHBondContact N-O 3.3Å; A334-A349 PolarHBondContact O-N 3.17Å; A334-A349 VanDerWaalsContact O-N 3.1Å; L336-A349 HydrophobicContact CD1-CB 3.59Å; A349-V370 HydrophobicContact CB-CG1 4.25Å; A349-P378 WeakPolarHBondContact CA-O 3.4Å; A349-P378 HydrophobicContact CB-CB 4.01Å; A349-V380 HydrophobicContact CB-CG2 4.04Å
350S91.3Very high87.9Confident29 Ų2950.6 Ų50.620%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-67.4137.3175.5-175.20000110.9H352 P378 V380S350-H352 PolarHBondContact OG-N 2.94Å; S350-H352 PolarHBondContact OG-ND1 3.46Å; S350-P378 PolarHBondContact N-O 2.95Å; S350-V380 PolarHBondContact O-N 3.23Å
351L92Very high88.1Confident2 Ų246 Ų461%0.0125%0.252CS..  trans-104.4-1.8164.3-71.2165.8000112.1I320 P332 A334 N353 I357 I362 V380I320-L351 HydrophobicContact CB-CD1 4.41Å; I320-L351 HydrophobicContact CD1-CD1 3.6Å; I320-L351 HydrophobicContact CG1-CD1 3.65Å; I320-L351 HydrophobicContact CG2-CD1 3.93Å; P332-L351 HydrophobicContact CB-CB 3.95Å; P332-L351 HydrophobicContact CB-CD1 4.2Å; P332-L351 HydrophobicContact CG-CB 3.82Å; P332-L351 PolarHBondContact O-N 2.77Å; A334-L351 HydrophobicContact CB-CD1 3.94Å; A334-L351 HydrophobicContact CB-CD2 4.38Å; A334-L351 HydrophobicContact CB-CG 3.95Å; L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 2.88Å; L351-I357 HydrophobicContact CB-CD1 4.13Å; L351-I357 HydrophobicContact CB-CG1 3.99Å; L351-I357 HydrophobicContact CD1-CD1 4.07Å; L351-I357 HydrophobicContact CD1-CG1 4.28Å; L351-I357 HydrophobicContact CD2-CG1 4.3Å; L351-I357 HydrophobicContact CG-CG1 4.43Å; L351-I362 HydrophobicContact CD2-CD1 3.66Å; L351-I362 HydrophobicContact CD2-CG2 4.21Å; L351-V380 HydrophobicContact CD2-CB 3.82Å; L351-V380 HydrophobicContact CD2-CG1 4.31Å; L351-V380 HydrophobicContact CD2-CG2 3.86Å
352H82.7Confident88.5Confident75 Ų7546.1 Ų46.135%0.34725%0.252SS..  trans64.6-64.8179-58.3-73.2000115S350 L356 E379S350-H352 PolarHBondContact OG-N 2.94Å; S350-H352 PolarHBondContact OG-ND1 3.46Å; H352-L356 HydrophobicContact CB-CD1 3.53Å; H352-E379 IonicContact CE1-OE2 3.18Å; H352-E379 IonicContact NE2-OE2 3.95Å; H352-E379 PolarHBondContact NE2-OE2 2.97Å
353N86.6Confident89.5Confident37 Ų3747.9 Ų47.920%0.19825%0.252CS..  trans-160.6171.6-178.355.154.3000111.5L351 D355 L356 I357 V415L351-N353 VanDerWaalsContact C-N 3.26Å; L351-N353 PolarHBondContact O-N 2.88Å; N353-D355 PolarHBondContact O-N 3.47Å; N353-D355 PolarHBondContact OD1-N 3.45Å; N353-L356 PolarHBondContact O-N 3.17Å; N353-L356 WeakPolarHBondContact OD1-CB 3.48Å; N353-L356 WeakPolarHBondContact OD1-CG 3.44Å; N353-L356 PolarHBondContact OD1-N 3.1Å; N353-I357 WeakPolarHBondContact O-CG1 3.35Å; N353-I357 PolarHBondContact O-N 3.42Å; N353-V415 HydrophobicContact CB-CG1 3.95Å; N353-V415 VanDerWaalsContact CG-CG1 3.44Å; N353-V415 WeakPolarHBondContact ND2-CG1 3.48Å
354E90.4Very high90.6Very high31 Ų3147.8 Ų47.815%0.14524%0.242CC..Hα-helixtrans-61.8-40.1-179.4-176.6172-139.800113.3L356 I357 H358 M397 R410E354-L356 VanDerWaalsContact C-N 3.3Å; E354-L356 PolarHBondContact O-N 3.42Å; E354-I357 WeakPolarHBondContact O-CB 3.39Å; E354-I357 PolarHBondContact O-N 3.28Å; E354-H358 PolarHBondContact O-CD2 3.23Å; E354-H358 PolarHBondContact O-N 3.31Å; E354-H358 VanDerWaalsContact O-N 3.09Å; E354-H358 IonicContact OE1-NE2 3.47Å; E354-M397 HydrophobicContact CB-CE 4.25Å; E354-M397 HydrophobicContact CB-CG 3.67Å; E354-M397 VanDerWaalsContact CD-CG 3.42Å; E354-M397 HydrophobicContact CG-CB 4.44Å; E354-M397 HydrophobicContact CG-CG 3.77Å; E354-M397 WeakPolarHBondContact OE1-CB 3.29Å; E354-M397 WeakPolarHBondContact OE1-CG 3.42Å; E354-M397 PolarHBondContact OE1-N 2.86Å; E354-R410 IonicContact OE2-CZ 2.99Å; E354-R410 IonicContact OE2-NH2 2.76Å; E354-R410 PolarHBondContact OE2-NH2 2.89Å
355D87.5Confident91.4Very high51 Ų5147.3 Ų47.327%0.27324%0.242SC..Hα-helixtrans-61-42.2-178.2-65.6-3.9000110.7N353 I357 H358 D359 R410 V415N353-D355 PolarHBondContact O-N 3.47Å; N353-D355 PolarHBondContact OD1-N 3.45Å; D355-I357 VanDerWaalsContact C-N 3.34Å; D355-I357 PolarHBondContact O-N 3.43Å; D355-H358 PolarHBondContact O-N 2.99Å; D355-D359 WeakPolarHBondContact O-CB 3.48Å; D355-D359 VanDerWaalsContact O-CG 3.24Å; D355-D359 PolarHBondContact O-N 3.04Å; D355-R410 VanDerWaalsContact CG-NH1 3.34Å; D355-R410 IonicContact OD1-CZ 3.23Å; D355-R410 VanDerWaalsContact OD1-CZ 3.29Å; D355-R410 IonicContact OD1-NH1 3.77Å; D355-R410 PolarHBondContact OD1-NH1 2.88Å; D355-R410 IonicContact OD1-NH2 2.66Å; D355-R410 PolarHBondContact OD1-NH2 3.16Å; D355-R410 IonicContact OD2-NH1 2.83Å; D355-R410 PolarHBondContact OD2-NH1 3.12Å; D355-V415 HydrophobicContact CB-CG1 4.24Å; D355-V415 WeakPolarHBondContact OD2-CG1 3.33Å
356L86.1Confident91.7Very high44 Ų4442.8 Ų42.823%0.2321%0.214CC..Hα-helixtrans-68.4-28.7175.8-75.8171.4000113.9H352 N353 E354 H358 R360H352-L356 HydrophobicContact CB-CD1 3.53Å; N353-L356 PolarHBondContact O-N 3.17Å; N353-L356 WeakPolarHBondContact OD1-CB 3.48Å; N353-L356 WeakPolarHBondContact OD1-CG 3.44Å; N353-L356 PolarHBondContact OD1-N 3.1Å; E354-L356 VanDerWaalsContact C-N 3.3Å; E354-L356 PolarHBondContact O-N 3.42Å; L356-H358 VanDerWaalsContact C-N 3.35Å; L356-R360 VanDerWaalsContact O-CB 3.26Å; L356-R360 WeakPolarHBondContact O-CB 3.37Å; L356-R360 WeakPolarHBondContact O-CD 3.21Å; L356-R360 VanDerWaalsContact O-CG 3.26Å; L356-R360 WeakPolarHBondContact O-CG 3.19Å; L356-R360 PolarHBondContact O-N 3.35Å
357I91.9Very high91.9Very high1 Ų143.8 Ų43.81%0.00522%0.221CC..Hα-helixtrans-64.6-44.1172.4-66.6170.2000109.6I320 P332 L351 N353 E354 D355 D361 I362 Y395I320-I357 HydrophobicContact CD1-CD1 4.42Å; P332-I357 HydrophobicContact CB-CD1 3.78Å; P332-I357 HydrophobicContact CG-CD1 3.82Å; L351-I357 HydrophobicContact CB-CD1 4.13Å; L351-I357 HydrophobicContact CB-CG1 3.99Å; L351-I357 HydrophobicContact CD1-CD1 4.07Å; L351-I357 HydrophobicContact CD1-CG1 4.28Å; L351-I357 HydrophobicContact CD2-CG1 4.3Å; L351-I357 HydrophobicContact CG-CG1 4.43Å; N353-I357 WeakPolarHBondContact O-CG1 3.35Å; N353-I357 PolarHBondContact O-N 3.42Å; E354-I357 WeakPolarHBondContact O-CB 3.39Å; E354-I357 PolarHBondContact O-N 3.28Å; D355-I357 VanDerWaalsContact C-N 3.34Å; D355-I357 PolarHBondContact O-N 3.43Å; I357-D361 PolarHBondContact O-N 3Å; I357-I362 HydrophobicContact CG2-CB 4.2Å; I357-I362 PolarHBondContact O-N 2.88Å; I357-Y395 HydrophobicContact CD1-CD1 3.99Å; I357-Y395 HydrophobicContact CD1-CE1 4.23Å; I357-Y395 HydrophobicContact CG2-CD1 4.4Å
358H92.2Very high91.9Very high73 Ų7341.1 Ų41.134%0.33820%0.203SC..Hα-helixtrans-73.5-46.1-179.9-68.6-45000113E354 D355 L356 R360 D361 Y395 H396E354-H358 PolarHBondContact O-CD2 3.23Å; E354-H358 PolarHBondContact O-N 3.31Å; E354-H358 VanDerWaalsContact O-N 3.09Å; E354-H358 IonicContact OE1-NE2 3.47Å; D355-H358 PolarHBondContact O-N 2.99Å; L356-H358 VanDerWaalsContact C-N 3.35Å; H358-R360 PolarHBondContact O-N 3.47Å; H358-D361 PolarHBondContact O-N 3.05Å; H358-Y395 PolarHBondContact CE1-O 3.1Å; H358-H396 AromaticContact CE1-CE1 3.86Å; H358-H396 AromaticContact CE1-ND1 3.56Å; H358-H396 AromaticContact NE2-ND1 3.87Å
359D88.6Confident91.8Very high134 Ų13436.2 Ų36.272%0.71719%0.185SC*.Hα-helixtrans-58.9-32.3178.7-74.9-10.9000112D355D355-D359 WeakPolarHBondContact O-CB 3.48Å; D355-D359 VanDerWaalsContact O-CG 3.24Å; D355-D359 PolarHBondContact O-N 3.04Å
360R90.5Very high91.7Very high72 Ų7236 Ų3627%0.27218%0.183SC..THydrogen-bonded Turntrans-95.23.7178.4-62.2171.7-179.31793.7113.4L356 H358 I362 V380 V381 S383L356-R360 VanDerWaalsContact O-CB 3.26Å; L356-R360 WeakPolarHBondContact O-CB 3.37Å; L356-R360 WeakPolarHBondContact O-CD 3.21Å; L356-R360 VanDerWaalsContact O-CG 3.26Å; L356-R360 WeakPolarHBondContact O-CG 3.19Å; L356-R360 PolarHBondContact O-N 3.35Å; H358-R360 PolarHBondContact O-N 3.47Å; R360-I362 VanDerWaalsContact C-N 3.29Å; R360-I362 HydrophobicContact CB-CD1 3.78Å; R360-I362 HydrophobicContact CB-CG1 3.76Å; R360-I362 PolarHBondContact O-N 2.91Å; R360-V380 PolarHBondContact NH1-O 2.82Å; R360-V381 VanDerWaalsContact CD-O 3.31Å; R360-V381 WeakPolarHBondContact CD-O 3.22Å; R360-V381 PolarHBondContact NE-O 3.42Å; R360-S383 PolarHBondContact O-OG 2.86Å; R360-S383 VanDerWaalsContact O-OG 3.05Å
361D93.5Very high91.5Very high56 Ų5637.3 Ų37.330%0.29919%0.185SC..THydrogen-bonded Turntrans41.555.2-174.6-176.638000111.7I357 H358 R363 S383 R388I357-D361 PolarHBondContact O-N 3Å; H358-D361 PolarHBondContact O-N 3.05Å; D361-R363 IonicContact OD1-CZ 3.12Å; D361-R363 IonicContact OD1-NE 3.03Å; D361-R363 PolarHBondContact OD1-NE 2.71Å; D361-R363 IonicContact OD1-NH2 3.14Å; D361-R363 PolarHBondContact OD1-NH2 2.72Å; D361-R363 IonicContact OD2-NE 2.71Å; D361-R363 IonicContact OD2-NH2 3.08Å; D361-R363 PolarHBondContact OD2-NH2 3.19Å; D361-S383 WeakPolarHBondContact O-CB 3.31Å; D361-S383 PolarHBondContact O-OG 2.68Å; D361-R388 PolarHBondContact O-NH2 3.18Å; D361-R388 IonicContact OD1-NH1 3.65Å; D361-R388 IonicContact OD1-NH2 4Å; D361-R388 IonicContact OD2-CZ 3.82Å; D361-R388 IonicContact OD2-NH1 2.8Å; D361-R388 PolarHBondContact OD2-NH1 3.3Å; D361-R388 IonicContact OD2-NH2 2.69Å; D361-R388 PolarHBondContact OD2-NH2 2.95Å; D361-R388 VanDerWaalsContact OD2-NH2 3.09Å
362I93.4Very high91Very high4 Ų438 Ų382%0.02119%0.188CC..  trans-86.9125.3-180-65169.6000109.2L317 L351 I357 R360 V368 V380L317-I362 HydrophobicContact CD2-CG2 3.35Å; L351-I362 HydrophobicContact CD2-CD1 3.66Å; L351-I362 HydrophobicContact CD2-CG2 4.21Å; I357-I362 HydrophobicContact CG2-CB 4.2Å; I357-I362 PolarHBondContact O-N 2.88Å; R360-I362 VanDerWaalsContact C-N 3.29Å; R360-I362 HydrophobicContact CB-CD1 3.78Å; R360-I362 HydrophobicContact CB-CG1 3.76Å; R360-I362 PolarHBondContact O-N 2.91Å; I362-V368 HydrophobicContact CG2-CG1 4.48Å; I362-V380 HydrophobicContact CD1-CB 4.37Å; I362-V380 HydrophobicContact CD1-CG1 3.68Å; I362-V380 HydrophobicContact CG1-CG1 4.41Å
363R96.3Very high90.2Very high68 Ų6836.3 Ų36.326%0.25719%0.186SC..EExtended strand (participates in β ladder)trans-123.1145.1-179.6-54.6-169.1-170.4-172.91.1111.7L317 D361 G365 D366 A392 V393L317-R363 WeakPolarHBondContact CD2-O 3.43Å; D361-R363 IonicContact OD1-CZ 3.12Å; D361-R363 IonicContact OD1-NE 3.03Å; D361-R363 PolarHBondContact OD1-NE 2.71Å; D361-R363 IonicContact OD1-NH2 3.14Å; D361-R363 PolarHBondContact OD1-NH2 2.72Å; D361-R363 IonicContact OD2-NE 2.71Å; D361-R363 IonicContact OD2-NH2 3.08Å; D361-R363 PolarHBondContact OD2-NH2 3.19Å; R363-G365 PolarHBondContact O-N 2.9Å; R363-D366 WeakPolarHBondContact CB-OD2 3.38Å; R363-D366 PolarHBondContact N-OD2 3.15Å; R363-D366 VanDerWaalsContact O-CB 3.22Å; R363-D366 WeakPolarHBondContact O-CB 3.12Å; R363-D366 PolarHBondContact O-N 2.77Å; R363-A392 HydrophobicContact CB-CB 4.16Å; R363-V393 CarbonylContact C-O 3.54Å; R363-V393 WeakPolarHBondContact CA-O 3.37Å; R363-V393 VanDerWaalsContact CB-O 3.31Å; R363-V393 WeakPolarHBondContact CB-O 3.39Å
364I96.3Very high89Confident38 Ų3835.4 Ų35.420%0.19519%0.186CC..EExtended strand (participates in β ladder)trans-60.8130.4172.1-67.1174.2000108.1L318 I320 A392 V393 Y395L318-I364 WeakPolarHBondContact O-CG2 3.34Å; I320-I364 HydrophobicContact CD1-CG1 4.32Å; I320-I364 HydrophobicContact CG1-CG1 4.3Å; I364-A392 WeakPolarHBondContact O-CA 3.16Å; I364-V393 PolarHBondContact N-O 2.83Å; I364-V393 PolarHBondContact O-N 2.94Å; I364-Y395 HydrophobicContact CD1-CD2 3.77Å; I364-Y395 HydrophobicContact CD1-CE2 4.46Å; I364-Y395 HydrophobicContact CG1-CD2 4.41Å
365G95.5Very high87.8Confident13 Ų1336 Ų3613%0.13419%0.19CC..THydrogen-bonded Turntrans96.8-14.4-173.300000114.7K316 L317 R363 P389K316-G365 WeakPolarHBondContact CE-O 3.29Å; L317-G365 VanDerWaalsContact O-CA 3.28Å; L317-G365 WeakPolarHBondContact O-CA 3.38Å; L317-G365 PolarHBondContact O-N 3.3Å; R363-G365 PolarHBondContact O-N 2.9Å; G365-P389 WeakPolarHBondContact O-CG 3.27Å
366D95Very high86.9Confident0 Ų038.7 Ų38.70%020%0.203CC..  trans-62.7150.7-179-86.5-17.6000112.8K316 L317 R363 V368 S383 R388K316-D366 WeakPolarHBondContact CA-O 3.46Å; L317-D366 PolarHBondContact N-O 3.1Å; R363-D366 WeakPolarHBondContact CB-OD2 3.38Å; R363-D366 PolarHBondContact N-OD2 3.15Å; R363-D366 VanDerWaalsContact O-CB 3.22Å; R363-D366 WeakPolarHBondContact O-CB 3.12Å; R363-D366 PolarHBondContact O-N 2.77Å; D366-V368 HydrophobicContact CB-CG1 4.07Å; D366-S383 WeakPolarHBondContact OD2-CB 3.44Å; D366-R388 VanDerWaalsContact OD1-CG 3.29Å; D366-R388 WeakPolarHBondContact OD1-CG 3.41Å; D366-R388 IonicContact OD1-CZ 3.55Å; D366-R388 IonicContact OD1-NE 3.31Å; D366-R388 PolarHBondContact OD1-NE 2.81Å; D366-R388 IonicContact OD1-NH2 3.31Å; D366-R388 IonicContact OD2-CZ 3.32Å; D366-R388 IonicContact OD2-NE 2.64Å; D366-R388 PolarHBondContact OD2-NE 3.4Å; D366-R388 IonicContact OD2-NH2 2.71Å; D366-R388 PolarHBondContact OD2-NH2 3.39Å
367S96Very high86.2Confident26 Ų2641.6 Ų41.618%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-74.7122.4154.5-65.70000108.6I384S367-I384 PolarHBondContact O-N 2.77Å
368V95.6Very high86Confident0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-119.6146.7-178.5-65.70000111V314 T315 L317 L336 I362 D366 V370 V380 R382V314-V368 WeakPolarHBondContact CA-O 3.31Å; T315-V368 HydrophobicContact CG2-CG2 4.24Å; T315-V368 PolarHBondContact N-O 2.92Å; T315-V368 WeakPolarHBondContact O-CG2 3.39Å; T315-V368 PolarHBondContact O-N 3.19Å; L317-V368 HydrophobicContact CB-CG1 3.97Å; L317-V368 HydrophobicContact CB-CG2 4.13Å; L317-V368 HydrophobicContact CD2-CG1 4.43Å; L336-V368 HydrophobicContact CD2-CG2 3.6Å; I362-V368 HydrophobicContact CG2-CG1 4.48Å; D366-V368 HydrophobicContact CB-CG1 4.07Å; V368-V370 HydrophobicContact CG2-CG2 3.98Å; V368-V380 HydrophobicContact CB-CG1 3.82Å; V368-V380 HydrophobicContact CG1-CG1 4.05Å; V368-V380 HydrophobicContact CG2-CG1 4.38Å; V368-R382 WeakPolarHBondContact CA-O 3.38Å
369V92.9Very high85.9Confident3 Ų341 Ų412%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-88.2124.8171.5-177.50000108.7E312 V313 V314 V381 R382 I384E312-V369 HydrophobicContact CB-CG1 3.69Å; E312-V369 HydrophobicContact CG-CG1 3.91Å; E312-V369 WeakPolarHBondContact OE2-CG1 3.17Å; V313-V369 CarbonylContact O-C 3.42Å; V313-V369 WeakPolarHBondContact O-CA 3.45Å; V314-V369 HydrophobicContact CG2-CG2 4.35Å; V369-V381 HydrophobicContact CB-CB 4.38Å; V369-V381 HydrophobicContact CG1-CB 4.35Å; V369-V381 HydrophobicContact CG1-CG2 4.47Å; V369-V381 PolarHBondContact O-N 2.84Å; V369-R382 HydrophobicContact CB-CG 3.97Å; V369-R382 HydrophobicContact CG2-CG 3.87Å; V369-R382 PolarHBondContact N-O 2.82Å; V369-I384 HydrophobicContact CG2-CD1 3.82Å; V369-I384 HydrophobicContact CG2-CG1 3.86Å
370V92.3Very high86Confident0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-119.5138.4-178.8-178.60000108.7V313 T315 L336 V346 A349 V368 P378 E379 V380V313-V370 HydrophobicContact CG2-CB 4.44Å; V313-V370 PolarHBondContact N-O 2.97Å; V313-V370 PolarHBondContact O-N 3.21Å; T315-V370 HydrophobicContact CG2-CG2 3.72Å; L336-V370 HydrophobicContact CD1-CG1 4.16Å; L336-V370 HydrophobicContact CD1-CG2 3.73Å; L336-V370 HydrophobicContact CD2-CG2 4.13Å; V346-V370 HydrophobicContact CG1-CG1 4.23Å; A349-V370 HydrophobicContact CB-CG1 4.25Å; V368-V370 HydrophobicContact CG2-CG2 3.98Å; V370-P378 HydrophobicContact CG1-CB 4.48Å; V370-E379 WeakPolarHBondContact CA-O 3.45Å; V370-V380 HydrophobicContact CG2-CG2 4.37Å
371K85.7Confident85.9Confident55 Ų5532.6 Ų32.624%0.23918%0.18CC..EExtended strand (participates in β ladder)trans-135.2169.3171.673.5-176.6177.3-173.80110.1A310 E312 P378 E379 V381A310-K371 HydrophobicContact CB-CB 4.14Å; A310-K371 HydrophobicContact CB-CD 4.31Å; A310-K371 HydrophobicContact CB-CG 4.5Å; E312-K371 HydrophobicContact CG-CB 4.12Å; K371-P378 CarbonylContact O-C 3.56Å; K371-P378 VanDerWaalsContact O-CA 3.29Å; K371-P378 WeakPolarHBondContact O-CA 3.46Å; K371-E379 WeakPolarHBondContact CE-OE1 3.42Å; K371-E379 HydrophobicContact CG-CG 4.08Å; K371-E379 PolarHBondContact N-O 2.94Å; K371-E379 VanDerWaalsContact N-O 3.15Å; K371-E379 IonicContact NZ-OE1 2.74Å; K371-E379 PolarHBondContact O-N 2.84Å; K371-V381 HydrophobicContact CB-CG2 4.11Å; K371-V381 HydrophobicContact CD-CG2 3.53Å; K371-V381 HydrophobicContact CG-CG2 3.52Å
372K81.6Confident85.7Confident18 Ų1835.5 Ų35.58%0.07819%0.186CC..EExtended strand (participates in β ladder)trans-102111.1167-75.2-179.8165.2-1580111A310 V341 A342 T344 G374 D375 I377 P378A310-K372 WeakPolarHBondContact CB-O 3.1Å; V341-K372 HydrophobicContact CB-CG 4.44Å; V341-K372 HydrophobicContact CG1-CD 4.35Å; V341-K372 HydrophobicContact CG1-CG 4.01Å; A342-K372 HydrophobicContact CB-CD 4.33Å; T344-K372 WeakPolarHBondContact OG1-CE 3.28Å; T344-K372 PolarHBondContact OG1-NZ 3.05Å; K372-G374 PolarHBondContact O-N 3.26Å; K372-D375 PolarHBondContact O-N 2.68Å; K372-D375 VanDerWaalsContact O-N 3.08Å; K372-I377 CarbonylContact C-O 3.6Å; K372-I377 WeakPolarHBondContact CA-O 3.44Å; K372-P378 HydrophobicContact CG-CB 4.45Å; K372-P378 HydrophobicContact CG-CG 4.18Å
373A66.4Low85.7Confident38 Ų3835.7 Ų35.731%0.31419%0.188SC..EExtended strand (participates in β ladder)trans-60.9123.817100000110D375 I376 I377 E379A373-D375 PolarHBondContact O-N 2.92Å; A373-I376 PolarHBondContact O-N 2.91Å; A373-I376 VanDerWaalsContact O-N 3.15Å; A373-I377 PolarHBondContact N-O 3.23Å; A373-I377 PolarHBondContact O-N 3.21Å; A373-I377 VanDerWaalsContact O-N 3.13Å; A373-E379 HydrophobicContact CB-CG 4.49Å
374G60.5Low85.6Confident19 Ų1933.5 Ų33.520%0.19618%0.181CC..THydrogen-bonded Turntrans58.424.2-175.100000114.4K307 K372 I376K307-G374 PolarHBondContact NZ-O 2.83Å; K372-G374 PolarHBondContact O-N 3.26Å; G374-I376 PolarHBondContact O-N 2.91Å
375D66Low85.3Confident42 Ų4234.9 Ų34.923%0.22519%0.193CC..THydrogen-bonded Turntrans64.411.8-175.1-48.8-55.8000115.2K307 K372 A373K307-D375 IonicContact NZ-OD2 3.86Å; K307-D375 PolarHBondContact NZ-OD2 3.46Å; K372-D375 PolarHBondContact O-N 2.68Å; K372-D375 VanDerWaalsContact O-N 3.08Å; A373-D375 PolarHBondContact O-N 2.92Å
376I67.7Low85.1Confident108 Ų10841.9 Ų41.955%0.55422%0.222SC*.THydrogen-bonded Turntrans-118.1-56.6-175.4-60.9170.2000111.5A373 G374 P378A373-I376 PolarHBondContact O-N 2.91Å; A373-I376 VanDerWaalsContact O-N 3.15Å; G374-I376 PolarHBondContact O-N 2.91Å; I376-P378 WeakPolarHBondContact O-CD 3.45Å
377I73.1Confident85Confident106 Ų10649.5 Ų49.554%0.54425%0.251SS..EExtended strand (participates in β ladder)trans-99.7113.7-166.1-58175.8000110.2K372 A373K372-I377 CarbonylContact C-O 3.6Å; K372-I377 WeakPolarHBondContact CA-O 3.44Å; A373-I377 PolarHBondContact N-O 3.23Å; A373-I377 PolarHBondContact O-N 3.21Å; A373-I377 VanDerWaalsContact O-N 3.13Å
378P87.4Confident84.8Confident29 Ų2951 Ų5119%0.18825%0.252CS..EExtended strand (participates in β ladder)trans-68.7133.7177.1-15.830000112.4V346 A349 S350 V370 K371 K372 I376V346-P378 HydrophobicContact CG1-CB 3.55Å; V346-P378 HydrophobicContact CG1-CG 3.85Å; V346-P378 HydrophobicContact CG2-CB 4.24Å; V346-P378 HydrophobicContact CG2-CG 3.9Å; A349-P378 WeakPolarHBondContact CA-O 3.4Å; A349-P378 HydrophobicContact CB-CB 4.01Å; S350-P378 PolarHBondContact N-O 2.95Å; V370-P378 HydrophobicContact CG1-CB 4.48Å; K371-P378 CarbonylContact O-C 3.56Å; K371-P378 VanDerWaalsContact O-CA 3.29Å; K371-P378 WeakPolarHBondContact O-CA 3.46Å; K372-P378 HydrophobicContact CG-CB 4.45Å; K372-P378 HydrophobicContact CG-CG 4.18Å; I376-P378 WeakPolarHBondContact O-CD 3.45Å
379E88.6Confident84.6Confident31 Ų3153 Ų5315%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-138.4149.6174.364.6173.2-17000111.6H352 V370 K371 A373H352-E379 IonicContact CE1-OE2 3.18Å; H352-E379 IonicContact NE2-OE2 3.95Å; H352-E379 PolarHBondContact NE2-OE2 2.97Å; V370-E379 WeakPolarHBondContact CA-O 3.45Å; K371-E379 WeakPolarHBondContact CE-OE1 3.42Å; K371-E379 HydrophobicContact CG-CG 4.08Å; K371-E379 PolarHBondContact N-O 2.94Å; K371-E379 VanDerWaalsContact N-O 3.15Å; K371-E379 IonicContact NZ-OE1 2.74Å; K371-E379 PolarHBondContact O-N 2.84Å; A373-E379 HydrophobicContact CB-CG 4.49Å
380V91Very high84.5Confident0 Ų062.9 Ų62.90%031%0.311CS..EExtended strand (participates in β ladder)trans-82.1120.6171.9178.20000109A334 A349 S350 L351 R360 I362 V368 V370A334-V380 HydrophobicContact CB-CG2 3.77Å; A349-V380 HydrophobicContact CB-CG2 4.04Å; S350-V380 PolarHBondContact O-N 3.23Å; L351-V380 HydrophobicContact CD2-CB 3.82Å; L351-V380 HydrophobicContact CD2-CG1 4.31Å; L351-V380 HydrophobicContact CD2-CG2 3.86Å; R360-V380 PolarHBondContact NH1-O 2.82Å; I362-V380 HydrophobicContact CD1-CB 4.37Å; I362-V380 HydrophobicContact CD1-CG1 3.68Å; I362-V380 HydrophobicContact CG1-CG1 4.41Å; V368-V380 HydrophobicContact CB-CG1 3.82Å; V368-V380 HydrophobicContact CG1-CG1 4.05Å; V368-V380 HydrophobicContact CG2-CG1 4.38Å; V370-V380 HydrophobicContact CG2-CG2 4.37Å
381V88.2Confident84.5Confident30 Ų3068.7 Ų68.718%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-83.1-51-177.1-175.60000111.6R360 V369 K371R360-V381 VanDerWaalsContact CD-O 3.31Å; R360-V381 WeakPolarHBondContact CD-O 3.22Å; R360-V381 PolarHBondContact NE-O 3.42Å; V369-V381 HydrophobicContact CB-CB 4.38Å; V369-V381 HydrophobicContact CG1-CB 4.35Å; V369-V381 HydrophobicContact CG1-CG2 4.47Å; V369-V381 PolarHBondContact O-N 2.84Å; K371-V381 HydrophobicContact CB-CG2 4.11Å; K371-V381 HydrophobicContact CD-CG2 3.53Å; K371-V381 HydrophobicContact CG-CG2 3.52Å
382R91.1Very high84.8Confident117 Ų11766.9 Ų66.944%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-158.9156.5-177.262.1-177.6-178.5-75.3-0.7110.9E312 V368 V369E312-R382 IonicContact OE1-NH1 2.7Å; E312-R382 IonicContact OE2-CZ 3.4Å; E312-R382 IonicContact OE2-NH1 2.93Å; E312-R382 PolarHBondContact OE2-NH1 3.07Å; E312-R382 IonicContact OE2-NH2 3.24Å; E312-R382 PolarHBondContact OE2-NH2 3.43Å; V368-R382 WeakPolarHBondContact CA-O 3.38Å; V369-R382 HydrophobicContact CB-CG 3.97Å; V369-R382 HydrophobicContact CG2-CG 3.87Å; V369-R382 PolarHBondContact N-O 2.82Å
383S93.2Very high85.4Confident9 Ų970.2 Ų70.26%0.06336%0.359CS..EExtended strand (participates in β ladder)trans-76.2165.5161.161.20000110.5R360 D361 D366 P385R360-S383 PolarHBondContact O-OG 2.86Å; R360-S383 VanDerWaalsContact O-OG 3.05Å; D361-S383 WeakPolarHBondContact O-CB 3.31Å; D361-S383 PolarHBondContact O-OG 2.68Å; D366-S383 WeakPolarHBondContact OD2-CB 3.44Å; S383-P385 WeakPolarHBondContact O-CD 3.27Å
384I93.4Very high86.7Confident22 Ų2271.1 Ų71.111%0.11336%0.361CS..  trans-115.686.5171.8-53.7178.2000107.3V314 S367 V369 E386 R387 R388V314-I384 HydrophobicContact CB-CD1 4.21Å; V314-I384 HydrophobicContact CG1-CD1 3.5Å; V314-I384 VanDerWaalsContact CG1-CD1 3.5Å; V314-I384 HydrophobicContact CG2-CD1 3.61Å; S367-I384 PolarHBondContact O-N 2.77Å; V369-I384 HydrophobicContact CG2-CD1 3.82Å; V369-I384 HydrophobicContact CG2-CG1 3.86Å; I384-E386 VanDerWaalsContact CG2-OE2 3.3Å; I384-E386 WeakPolarHBondContact CG2-OE2 3.5Å; I384-E386 PolarHBondContact O-N 2.91Å; I384-E386 VanDerWaalsContact O-N 3.09Å; I384-R387 HydrophobicContact CB-CB 4.45Å; I384-R387 HydrophobicContact CG2-CB 4.12Å; I384-R387 HydrophobicContact CG2-CG 3.85Å; I384-R387 PolarHBondContact O-N 2.7Å; I384-R388 PolarHBondContact O-N 3.19Å
385P90.5Very high88.2Confident66 Ų6671.6 Ų71.643%0.42936%0.357SS..G310 helixtrans-55.3-29.9-175.4-27.236.2000113.6S383 R387 R388S383-P385 WeakPolarHBondContact O-CD 3.27Å; P385-R387 PolarHBondContact O-N 3.33Å; P385-R388 VanDerWaalsContact O-CB 3.26Å; P385-R388 WeakPolarHBondContact O-CB 3.27Å; P385-R388 PolarHBondContact O-N 2.89Å
386E91Very high89.4Confident161 Ų16175.6 Ų75.675%0.75237%0.374SS*.G310 helixtrans-68.3-18.2179.3-54.676.9-166.700113.3I384I384-E386 VanDerWaalsContact CG2-OE2 3.3Å; I384-E386 WeakPolarHBondContact CG2-OE2 3.5Å; I384-E386 PolarHBondContact O-N 2.91Å; I384-E386 VanDerWaalsContact O-N 3.09Å
387R92.2Very high90.5Very high160 Ų16071.2 Ų71.260%0.60435%0.351SS*.G310 helixtrans-110.610177.6-62.7-174.4-175.2-170.32112.5I384 P385 P389I384-R387 HydrophobicContact CB-CB 4.45Å; I384-R387 HydrophobicContact CG2-CB 4.12Å; I384-R387 HydrophobicContact CG2-CG 3.85Å; I384-R387 PolarHBondContact O-N 2.7Å; P385-R387 PolarHBondContact O-N 3.33Å; R387-P389 WeakPolarHBondContact O-CD 3.45Å
388R92.1Very high91.5Very high57 Ų5768.3 Ų68.322%0.21534%0.34CS..  trans-66121.9-178.5177.5166.4-67.8153.1-1.3109.9D361 D366 I384 P385 A392D361-R388 PolarHBondContact O-NH2 3.18Å; D361-R388 IonicContact OD1-NH1 3.65Å; D361-R388 IonicContact OD1-NH2 4Å; D361-R388 IonicContact OD2-CZ 3.82Å; D361-R388 IonicContact OD2-NH1 2.8Å; D361-R388 PolarHBondContact OD2-NH1 3.3Å; D361-R388 IonicContact OD2-NH2 2.69Å; D361-R388 PolarHBondContact OD2-NH2 2.95Å; D361-R388 VanDerWaalsContact OD2-NH2 3.09Å; D366-R388 VanDerWaalsContact OD1-CG 3.29Å; D366-R388 WeakPolarHBondContact OD1-CG 3.41Å; D366-R388 IonicContact OD1-CZ 3.55Å; D366-R388 IonicContact OD1-NE 3.31Å; D366-R388 PolarHBondContact OD1-NE 2.81Å; D366-R388 IonicContact OD1-NH2 3.31Å; D366-R388 IonicContact OD2-CZ 3.32Å; D366-R388 IonicContact OD2-NE 2.64Å; D366-R388 PolarHBondContact OD2-NE 3.4Å; D366-R388 IonicContact OD2-NH2 2.71Å; D366-R388 PolarHBondContact OD2-NH2 3.39Å; I384-R388 PolarHBondContact O-N 3.19Å; P385-R388 VanDerWaalsContact O-CB 3.26Å; P385-R388 WeakPolarHBondContact O-CB 3.27Å; P385-R388 PolarHBondContact O-N 2.89Å; R388-A392 HydrophobicContact CG-CB 3.57Å
389P92.7Very high91.8Very high41 Ų4171.7 Ų71.727%0.26636%0.36SS..  trans-71.5155.1173.933.9-36.6000110.3G365 R387 D391 A392G365-P389 WeakPolarHBondContact O-CG 3.27Å; R387-P389 WeakPolarHBondContact O-CD 3.45Å; P389-D391 VanDerWaalsContact CB-OD1 3.26Å; P389-D391 WeakPolarHBondContact CB-OD1 3.5Å; P389-D391 WeakPolarHBondContact CG-OD1 3.48Å; P389-D391 PolarHBondContact O-N 3.46Å; P389-A392 HydrophobicContact CG-CB 4.17Å; P389-A392 VanDerWaalsContact O-CB 3.29Å; P389-A392 WeakPolarHBondContact O-CB 3.15Å; P389-A392 PolarHBondContact O-N 3.1Å; P389-A392 VanDerWaalsContact O-N 3.13Å
390E90Very high92.1Very high212 Ų21274.8 Ų74.899%0.99137%0.374SS*.THydrogen-bonded Turntrans-63.5-24.2-177.1-66.2-174.2169.700113.2A392E390-A392 VanDerWaalsContact C-N 3.35Å
391D92.6Very high92.3Very high122 Ų12275 Ų7565%0.65238%0.375SS*.THydrogen-bonded Turntrans-89.98.1178.866.9-19.7000113.7P389 V393P389-D391 VanDerWaalsContact CB-OD1 3.26Å; P389-D391 WeakPolarHBondContact CB-OD1 3.5Å; P389-D391 WeakPolarHBondContact CG-OD1 3.48Å; P389-D391 PolarHBondContact O-N 3.46Å; D391-V393 WeakPolarHBondContact O-CG2 3.11Å; D391-V393 PolarHBondContact O-N 3.44Å
392A92.3Very high92.5Very high17 Ų1777.2 Ų77.214%0.1439%0.39CS..  trans-63.8130.7179.100000112.2R363 I364 R388 P389 E390R363-A392 HydrophobicContact CB-CB 4.16Å; I364-A392 WeakPolarHBondContact O-CA 3.16Å; R388-A392 HydrophobicContact CG-CB 3.57Å; P389-A392 HydrophobicContact CG-CB 4.17Å; P389-A392 VanDerWaalsContact O-CB 3.29Å; P389-A392 WeakPolarHBondContact O-CB 3.15Å; P389-A392 PolarHBondContact O-N 3.1Å; P389-A392 VanDerWaalsContact O-N 3.13Å; E390-A392 VanDerWaalsContact C-N 3.35Å
393V93.1Very high92.6Very high87 Ų8773.5 Ų73.553%0.52738%0.383SS..EExtended strand (participates in β ladder)trans-107.3123.2-172.8-176.50000110.9R363 I364 D391 Y395R363-V393 CarbonylContact C-O 3.54Å; R363-V393 WeakPolarHBondContact CA-O 3.37Å; R363-V393 VanDerWaalsContact CB-O 3.31Å; R363-V393 WeakPolarHBondContact CB-O 3.39Å; I364-V393 PolarHBondContact N-O 2.83Å; I364-V393 PolarHBondContact O-N 2.94Å; D391-V393 WeakPolarHBondContact O-CG2 3.11Å; D391-V393 PolarHBondContact O-N 3.44Å; V393-Y395 PolarHBondContact O-N 3.07Å
394T93.5Very high92.5Very high58 Ų5875.2 Ų75.236%0.35639%0.394SS..EExtended strand (participates in β ladder)trans-61.1126.4170.4-55.70000110
395Y92.4Very high92.5Very high29 Ų2976.3 Ų76.311%0.11441%0.411CS..  trans-88.9139.2179.4-175.9-96.9000111.3I320 L322 I357 H358 I364 V393 M397I320-Y395 HydrophobicContact CB-CD2 4.11Å; I320-Y395 HydrophobicContact CB-CE2 3.8Å; I320-Y395 HydrophobicContact CD1-CD1 3.8Å; I320-Y395 HydrophobicContact CD1-CD2 3.83Å; I320-Y395 HydrophobicContact CD1-CE1 4.31Å; I320-Y395 HydrophobicContact CD1-CE2 4.32Å; I320-Y395 HydrophobicContact CD1-CG 3.54Å; I320-Y395 HydrophobicContact CG1-CD2 4.42Å; I320-Y395 HydrophobicContact CG2-CE1 4.01Å; I320-Y395 HydrophobicContact CG2-CE2 4.04Å; L322-Y395 WeakPolarHBondContact CD1-OH 3.25Å; L322-Y395 VanDerWaalsContact CD2-OH 3.29Å; L322-Y395 WeakPolarHBondContact CD2-OH 3.26Å; L322-Y395 WeakPolarHBondContact CG-OH 3.47Å; I357-Y395 HydrophobicContact CD1-CD1 3.99Å; I357-Y395 HydrophobicContact CD1-CE1 4.23Å; I357-Y395 HydrophobicContact CG2-CD1 4.4Å; H358-Y395 PolarHBondContact CE1-O 3.1Å; I364-Y395 HydrophobicContact CD1-CD2 3.77Å; I364-Y395 HydrophobicContact CD1-CE2 4.46Å; I364-Y395 HydrophobicContact CG1-CD2 4.41Å; V393-Y395 PolarHBondContact O-N 3.07Å; Y395-M397 HydrophobicContact CE1-CG 4.49Å; Y395-M397 HydrophobicContact CE1-SD 4.02Å
396H91.3Very high92.6Very high125 Ų12577 Ų7758%0.57941%0.408SS*.  trans-129.2142.3171.2-67.6-73.6000108.8H358H358-H396 AromaticContact CE1-CE1 3.86Å; H358-H396 AromaticContact CE1-ND1 3.56Å; H358-H396 AromaticContact NE2-ND1 3.87Å
397M91.8Very high92.8Very high16 Ų1675.2 Ų75.28%0.07940%0.4CS..  trans-63.5148.3172.4-73.2-69.6-171.800110.9L322 V330 P332 E354 Y395 L417L322-M397 HydrophobicContact CD1-SD 4.09Å; L322-M397 HydrophobicContact CD2-CE 3.92Å; L322-M397 HydrophobicContact CD2-SD 3.58Å; L322-M397 VanDerWaalsContact CD2-SD 3.58Å; L322-M397 HydrophobicContact CG-SD 4.49Å; V330-M397 HydrophobicContact CG1-SD 4.26Å; P332-M397 HydrophobicContact CB-CE 3.55Å; P332-M397 HydrophobicContact CG-CE 3.4Å; P332-M397 VanDerWaalsContact CG-CE 3.4Å; E354-M397 HydrophobicContact CB-CE 4.25Å; E354-M397 HydrophobicContact CB-CG 3.67Å; E354-M397 VanDerWaalsContact CD-CG 3.42Å; E354-M397 HydrophobicContact CG-CB 4.44Å; E354-M397 HydrophobicContact CG-CG 3.77Å; E354-M397 WeakPolarHBondContact OE1-CB 3.29Å; E354-M397 WeakPolarHBondContact OE1-CG 3.42Å; E354-M397 PolarHBondContact OE1-N 2.86Å; Y395-M397 HydrophobicContact CE1-CG 4.49Å; Y395-M397 HydrophobicContact CE1-SD 4.02Å; M397-L417 HydrophobicContact CB-CD2 3.57Å; M397-L417 HydrophobicContact CG-CD2 4.02Å
398P93.5Very high92.8Very high46 Ų4668.2 Ų68.230%0.29937%0.374SS..  trans-65.3153.2172.930.1-36.2000110.2L322 H400 L408L322-P398 HydrophobicContact CD1-CG 3.49Å; L322-P398 VanDerWaalsContact CD1-CG 3.49Å; P398-H400 VanDerWaalsContact C-N 3.31Å; P398-H400 WeakPolarHBondContact CB-O 3.26Å; P398-L408 HydrophobicContact CG-CD1 4.12Å; P398-L408 WeakPolarHBondContact O-CD1 3.42Å
399T93.8Very high92.8Very high99 Ų9968 Ų6861%0.60738%0.38SS*.SBendtrans-81.2-14.6172.453.70000112.7L408T399-L408 PolarHBondContact O-N 3.49Å
400H95.5Very high92.6Very high97 Ų9770.6 Ų70.645%0.44938%0.384SS..BIsolated β-bridgetrans-127.2146.8-178.6-63.775.4000110.9P398 G405 H406P398-H400 VanDerWaalsContact C-N 3.31Å; P398-H400 WeakPolarHBondContact CB-O 3.26Å; H400-G405 PolarHBondContact CD2-O 3.08Å; H400-G405 VanDerWaalsContact CD2-O 3.22Å; H400-H406 CarbonylContact C-O 3.59Å; H400-H406 WeakPolarHBondContact CA-O 3.45Å
401C93.9Very high92.3Very high3 Ų363.1 Ų63.12%0.0235%0.35CS..  trans-62.7123.6-177.2176.80000110.2S403 C404 G405 H406 L408 C419C401-S403 PolarHBondContact O-N 3.2Å; C401-S403 VanDerWaalsContact O-N 3.12Å; C401-S403 PolarHBondContact SG-N 2.9Å; C401-C404 PolarHBondContact O-N 3.46Å; C401-G405 VanDerWaalsContact O-CA 3.28Å; C401-G405 WeakPolarHBondContact O-CA 3.47Å; C401-G405 PolarHBondContact O-N 2.96Å; C401-H406 WeakPolarHBondContact CB-O 3.34Å; C401-H406 PolarHBondContact N-O 2.87Å; C401-L408 HydrophobicContact CB-CD2 3.72Å; C401-L408 HydrophobicContact CB-CG 4.3Å; C401-C419 HydrophobicContact CB-CB 4.03Å; C401-C419 VanDerWaalsContact SG-SG 3.63Å
402P92.9Very high91.7Very high77 Ų7766.7 Ų66.750%0.536%0.363SS..THydrogen-bonded Turntrans-67.9-14.6-17923.8-29.2000113.2L322 I324L322-P402 HydrophobicContact CB-CG 4.18Å; L322-P402 HydrophobicContact CD1-CG 4.27Å; I324-P402 HydrophobicContact CD1-CG 3.84Å
403S92.2Very high91Very high40 Ų4070 Ų7028%0.2840%0.399SS..THydrogen-bonded Turntrans-87.8-43.7175.7172.80000113.8C401 A426C401-S403 PolarHBondContact O-N 3.2Å; C401-S403 VanDerWaalsContact O-N 3.12Å; C401-S403 PolarHBondContact SG-N 2.9Å; S403-A426 WeakPolarHBondContact OG-CB 3.45Å; S403-A426 PolarHBondContact OG-N 2.84Å; S403-A426 VanDerWaalsContact OG-N 3.12Å
404C92.2Very high90.3Very high44 Ų4468.3 Ų68.330%0.29739%0.385SS..THydrogen-bonded Turntrans-124.1-2.7-171.7730000115C401 H406 N421 C424C401-C404 PolarHBondContact O-N 3.46Å; C404-H406 PolarHBondContact O-N 3.29Å; C404-N421 PolarHBondContact SG-ND2 3.31Å; C404-N421 VanDerWaalsContact SG-ND2 3.42Å; C404-C424 HydrophobicContact CB-CB 4.15Å
405G93Very high89.7Confident46 Ų4668.9 Ų68.947%0.47439%0.388SS..  trans71.62.618000000115.5H400 C401H400-G405 PolarHBondContact CD2-O 3.08Å; H400-G405 VanDerWaalsContact CD2-O 3.22Å; C401-G405 VanDerWaalsContact O-CA 3.28Å; C401-G405 WeakPolarHBondContact O-CA 3.47Å; C401-G405 PolarHBondContact O-N 2.96Å
406H92.2Very high89.2Confident79 Ų7968.5 Ų68.537%0.36639%0.391SS..PPolyproline II helixtrans-72.8148.8176.9-166.272.8000111.8H400 C401 C404 L408 N421H400-H406 CarbonylContact C-O 3.59Å; H400-H406 WeakPolarHBondContact CA-O 3.45Å; C401-H406 WeakPolarHBondContact CB-O 3.34Å; C401-H406 PolarHBondContact N-O 2.87Å; C404-H406 PolarHBondContact O-N 3.29Å; H406-L408 PolarHBondContact O-N 2.96Å; H406-N421 HydrophobicContact CB-CB 3.7Å
407E94.8Very high89.2Confident124 Ų12463.5 Ų63.558%0.57937%0.369SS*.BIsolated β-bridgetrans-57.2133.7176.9-170.7173.8-170.600111
408L93.5Very high89.2Confident14 Ų1464.2 Ų64.27%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-87.3138.6177.8-67.5174.7000109.9V330 P398 T399 C401 H406 L417 R418 C419V330-L408 HydrophobicContact CG2-CD1 3.93Å; V330-L408 HydrophobicContact CG2-CD2 3.66Å; V330-L408 HydrophobicContact CG2-CG 4.46Å; P398-L408 HydrophobicContact CG-CD1 4.12Å; P398-L408 WeakPolarHBondContact O-CD1 3.42Å; T399-L408 PolarHBondContact O-N 3.49Å; C401-L408 HydrophobicContact CB-CD2 3.72Å; C401-L408 HydrophobicContact CB-CG 4.3Å; H406-L408 PolarHBondContact O-N 2.96Å; L408-L417 HydrophobicContact CB-CD1 3.74Å; L408-L417 HydrophobicContact CB-CD2 4.08Å; L408-L417 HydrophobicContact CB-CG 3.8Å; L408-L417 HydrophobicContact CD1-CD2 3.72Å; L408-L417 HydrophobicContact CD1-CG 4.13Å; L408-L417 HydrophobicContact CG-CD2 4.5Å; L408-L417 HydrophobicContact CG-CG 4.47Å; L408-R418 WeakPolarHBondContact CA-O 3.39Å; L408-R418 VanDerWaalsContact CD2-C 3.5Å; L408-R418 WeakPolarHBondContact CD2-O 3.27Å; L408-C419 HydrophobicContact CD2-CB 3.78Å
409V91.9Very high89.1Confident53 Ų5362.1 Ų62.132%0.32136%0.357SS..EExtended strand (participates in β ladder)trans-122.3134.2-176.5-176.70000109.4R418 I420V409-R418 PolarHBondContact N-O 3.45Å; V409-R418 PolarHBondContact O-N 3.12Å; V409-I420 HydrophobicContact CB-CG2 4.33Å; V409-I420 HydrophobicContact CG2-CD1 3.77Å; V409-I420 HydrophobicContact CG2-CG1 4.18Å
410R89.1Confident88.9Confident94 Ų9461.7 Ų61.736%0.35535%0.35SS..EExtended strand (participates in β ladder)trans-96.9110.5165.7-167.2-178.2-72.7-156.1-1.8107.5E354 D355 E414 L417E354-R410 IonicContact OE2-CZ 2.99Å; E354-R410 IonicContact OE2-NH2 2.76Å; E354-R410 PolarHBondContact OE2-NH2 2.89Å; D355-R410 VanDerWaalsContact CG-NH1 3.34Å; D355-R410 IonicContact OD1-CZ 3.23Å; D355-R410 VanDerWaalsContact OD1-CZ 3.29Å; D355-R410 IonicContact OD1-NH1 3.77Å; D355-R410 PolarHBondContact OD1-NH1 2.88Å; D355-R410 IonicContact OD1-NH2 2.66Å; D355-R410 PolarHBondContact OD1-NH2 3.16Å; D355-R410 IonicContact OD2-NH1 2.83Å; D355-R410 PolarHBondContact OD2-NH1 3.12Å; R410-E414 WeakPolarHBondContact CG-O 3.46Å; R410-L417 HydrophobicContact CB-CD1 4.32Å
411I83.8Confident88.5Confident56 Ų5658.7 Ų58.729%0.28734%0.337SS..  trans-69.5138.8-178.9-59.3174.7000108.5G413 E414I411-G413 PolarHBondContact O-N 3Å; I411-E414 HydrophobicContact CB-CB 4.41Å; I411-E414 HydrophobicContact CB-CG 4.32Å; I411-E414 PolarHBondContact O-N 3.18Å
412E79.9Confident87.9Confident196 Ų19663.6 Ų63.692%0.91637%0.369SS*.THydrogen-bonded Turntrans-54.3128.3179.3-169.9176.1-175.200111.5E414E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3.47Å
413G77.5Confident87.5Confident87 Ų8768 Ų6890%0.89738%0.38SS*.THydrogen-bonded Turntrans82.5-4.3-176.300000115.5I411I411-G413 PolarHBondContact O-N 3Å
414E77.7Confident87.4Confident52 Ų5266.1 Ų66.124%0.24337%0.367CS..  trans-103.1139.8172.4-63.3-167.2-161.700111.7R410 I411 E412 A416 R418 R510R410-E414 WeakPolarHBondContact CG-O 3.46Å; I411-E414 HydrophobicContact CB-CB 4.41Å; I411-E414 HydrophobicContact CB-CG 4.32Å; I411-E414 PolarHBondContact O-N 3.18Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3.47Å; E414-A416 VanDerWaalsContact C-N 3.31Å; E414-R418 IonicContact OE2-CZ 2.78Å; E414-R418 VanDerWaalsContact OE2-CZ 3.23Å; E414-R418 IonicContact OE2-NE 3.63Å; E414-R418 PolarHBondContact OE2-NE 3.42Å; E414-R418 IonicContact OE2-NH2 2.93Å; E414-R418 PolarHBondContact OE2-NH2 2.88Å; E414-R510 IonicContact OE1-NH2 2.79Å; E414-R510 PolarHBondContact OE1-NH2 2.85Å
415V80.7Confident87.3Confident69 Ų6968.1 Ų68.142%0.41837%0.372SS..  trans-77-23.1172.2178.20000111.4N353 D355N353-V415 HydrophobicContact CB-CG1 3.95Å; N353-V415 VanDerWaalsContact CG-CG1 3.44Å; N353-V415 WeakPolarHBondContact ND2-CG1 3.48Å; D355-V415 HydrophobicContact CB-CG1 4.24Å; D355-V415 WeakPolarHBondContact OD2-CG1 3.33Å
416A82.2Confident87.2Confident21 Ų2166.9 Ų66.917%0.17436%0.358CS..  trans-78.7129.7-172.800000112.4V329 E414V329-A416 HydrophobicContact CG1-CB 4.05Å; V329-A416 HydrophobicContact CG2-CB 4.22Å; E414-A416 VanDerWaalsContact C-N 3.31Å
417L91Very high87.1Confident20 Ų2064.6 Ų64.611%0.10535%0.347CS..EExtended strand (participates in β ladder)trans-78.7133.5164.3-17264.6000109.4V330 M397 L408 R410V330-L417 PolarHBondContact N-O 3Å; M397-L417 HydrophobicContact CB-CD2 3.57Å; M397-L417 HydrophobicContact CG-CD2 4.02Å; L408-L417 HydrophobicContact CB-CD1 3.74Å; L408-L417 HydrophobicContact CB-CD2 4.08Å; L408-L417 HydrophobicContact CB-CG 3.8Å; L408-L417 HydrophobicContact CD1-CD2 3.72Å; L408-L417 HydrophobicContact CD1-CG 4.13Å; L408-L417 HydrophobicContact CG-CD2 4.5Å; L408-L417 HydrophobicContact CG-CG 4.47Å; R410-L417 HydrophobicContact CB-CD1 4.32Å
418R91.2Very high86.9Confident32 Ų3261.6 Ų61.612%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-131.4143.4-172.5-65.8-180-179.7-87.1-4.6114T327 G328 V329 L408 V409 E414T327-R418 PolarHBondContact O-NH1 3.34Å; T327-R418 PolarHBondContact OG1-NH1 2.92Å; G328-R418 CarbonylContact O-C 3.54Å; G328-R418 VanDerWaalsContact O-CA 3.24Å; G328-R418 WeakPolarHBondContact O-CA 3.33Å; V329-R418 HydrophobicContact CG2-CG 4.31Å; V329-R418 VanDerWaalsContact CG2-CZ 3.42Å; L408-R418 WeakPolarHBondContact CA-O 3.39Å; L408-R418 VanDerWaalsContact CD2-C 3.5Å; L408-R418 WeakPolarHBondContact CD2-O 3.27Å; V409-R418 PolarHBondContact N-O 3.45Å; V409-R418 PolarHBondContact O-N 3.12Å; E414-R418 IonicContact OE2-CZ 2.78Å; E414-R418 VanDerWaalsContact OE2-CZ 3.23Å; E414-R418 IonicContact OE2-NE 3.63Å; E414-R418 PolarHBondContact OE2-NE 3.42Å; E414-R418 IonicContact OE2-NH2 2.93Å; E414-R418 PolarHBondContact OE2-NH2 2.88Å
419C92.6Very high86.9Confident2 Ų261.6 Ų61.61%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-81.8115.7159.61790000109.3I324 G328 C401 L408 C424 Q427I324-C419 HydrophobicContact CG2-CB 4.38Å; G328-C419 WeakPolarHBondContact CA-O 3.38Å; G328-C419 PolarHBondContact O-N 2.98Å; C401-C419 HydrophobicContact CB-CB 4.03Å; C401-C419 VanDerWaalsContact SG-SG 3.63Å; L408-C419 HydrophobicContact CD2-CB 3.78Å; C419-C424 VanDerWaalsContact SG-SG 3.67Å; C419-Q427 PolarHBondContact O-NE2 3.18Å; C419-Q427 PolarHBondContact SG-NE2 3.34Å; C419-Q427 VanDerWaalsContact SG-NE2 3.35Å
420I88.6Confident86.9Confident90 Ų9062.4 Ų62.446%0.46234%0.335SS..  trans-93.90.3178.560.5166.8000113.4V409 P422V409-I420 HydrophobicContact CB-CG2 4.33Å; V409-I420 HydrophobicContact CG2-CD1 3.77Å; V409-I420 HydrophobicContact CG2-CG1 4.18Å; I420-P422 WeakPolarHBondContact O-CD 3.32Å
421N88.1Confident87Confident33 Ų3358.8 Ų58.818%0.17633%0.328CS..  trans-72.2112.7177.5-179.39.3000110.8C404 H406 K423 C424 Q427C404-N421 PolarHBondContact SG-ND2 3.31Å; C404-N421 VanDerWaalsContact SG-ND2 3.42Å; H406-N421 HydrophobicContact CB-CB 3.7Å; N421-K423 PolarHBondContact O-N 3.49Å; N421-K423 WeakPolarHBondContact OD1-CB 3.33Å; N421-K423 PolarHBondContact OD1-N 3.29Å; N421-C424 HydrophobicContact CB-CB 4.37Å; N421-C424 WeakPolarHBondContact O-CB 3.44Å; N421-C424 PolarHBondContact O-N 3.43Å; N421-Q427 PolarHBondContact O-NE2 3.29Å
422P81.4Confident87.5Confident106 Ų10656.3 Ų56.369%0.68832%0.315SS*.THydrogen-bonded Turntrans-65.5-18.5178.228-35.2000112.9I420 C424I420-P422 WeakPolarHBondContact O-CD 3.32Å; P422-C424 VanDerWaalsContact C-N 3.3Å
423K84.8Confident88.2Confident171 Ų17148.3 Ų48.374%0.74328%0.278SS*.THydrogen-bonded Turntrans-9010.7175.2-58-175.1178.7-177.60113.1N421 Q425N421-K423 PolarHBondContact O-N 3.49Å; N421-K423 WeakPolarHBondContact OD1-CB 3.33Å; N421-K423 PolarHBondContact OD1-N 3.29Å; K423-Q425 PolarHBondContact O-N 3.35Å
424C89.6Confident88.9Confident0 Ų045.3 Ų45.30%024%0.241CC..  trans-65.7116.3178.6-179.20000110.3C404 C419 N421 P422 A426 Q427 L428C404-C424 HydrophobicContact CB-CB 4.15Å; C419-C424 VanDerWaalsContact SG-SG 3.67Å; N421-C424 HydrophobicContact CB-CB 4.37Å; N421-C424 WeakPolarHBondContact O-CB 3.44Å; N421-C424 PolarHBondContact O-N 3.43Å; P422-C424 VanDerWaalsContact C-N 3.3Å; C424-A426 VanDerWaalsContact C-N 3.3Å; C424-A426 PolarHBondContact O-N 3.35Å; C424-Q427 HydrophobicContact CB-CB 4.16Å; C424-Q427 HydrophobicContact CB-CG 4.02Å; C424-Q427 PolarHBondContact O-N 2.93Å; C424-L428 PolarHBondContact O-N 2.95Å; C424-L428 VanDerWaalsContact O-N 3.07Å
425Q90.7Very high89.7Confident85 Ų8542.8 Ų42.840%0.39723%0.229SC..Hα-helixtrans-50.4-46.9-179.7172.9170.816.800112.9K423 Q427 L428 V429 Y455K423-Q425 PolarHBondContact O-N 3.35Å; Q425-Q427 VanDerWaalsContact C-N 3.31Å; Q425-Q427 PolarHBondContact O-N 3.49Å; Q425-L428 PolarHBondContact O-N 2.89Å; Q425-V429 HydrophobicContact CG-CG2 4.37Å; Q425-V429 WeakPolarHBondContact O-CG2 3.4Å; Q425-V429 PolarHBondContact O-N 3.3Å; Q425-Y455 HydrophobicContact CB-CE1 4.38Å; Q425-Y455 HydrophobicContact CG-CD1 4.2Å; Q425-Y455 HydrophobicContact CG-CE1 3.49Å; Q425-Y455 VanDerWaalsContact CG-CE1 3.49Å
426A90.2Very high90.4Very high21 Ų2140.1 Ų40.117%0.17421%0.213CC..Hα-helixtrans-61-38.1179.100000113.1I324 S403 C424 E430I324-A426 HydrophobicContact CB-CB 3.74Å; I324-A426 HydrophobicContact CD1-CB 4.25Å; I324-A426 HydrophobicContact CG1-CB 4.36Å; I324-A426 HydrophobicContact CG2-CB 4.26Å; S403-A426 WeakPolarHBondContact OG-CB 3.45Å; S403-A426 PolarHBondContact OG-N 2.84Å; S403-A426 VanDerWaalsContact OG-N 3.12Å; C424-A426 VanDerWaalsContact C-N 3.3Å; C424-A426 PolarHBondContact O-N 3.35Å; A426-E430 WeakPolarHBondContact O-CB 3.49Å; A426-E430 VanDerWaalsContact O-CG 3.28Å; A426-E430 WeakPolarHBondContact O-CG 3.5Å; A426-E430 PolarHBondContact O-N 3.45Å
427Q90Very high90.7Very high31 Ų3141 Ų4115%0.14522%0.217CC..Hα-helixtrans-68.7-39.9177.2-68.8-175.167.600111.8I324 C419 N421 C424 Q425 E430 G431I324-Q427 HydrophobicContact CG2-CG 3.83Å; C419-Q427 PolarHBondContact O-NE2 3.18Å; C419-Q427 PolarHBondContact SG-NE2 3.34Å; C419-Q427 VanDerWaalsContact SG-NE2 3.35Å; N421-Q427 PolarHBondContact O-NE2 3.29Å; C424-Q427 HydrophobicContact CB-CB 4.16Å; C424-Q427 HydrophobicContact CB-CG 4.02Å; C424-Q427 PolarHBondContact O-N 2.93Å; Q425-Q427 VanDerWaalsContact C-N 3.31Å; Q425-Q427 PolarHBondContact O-N 3.49Å; Q427-E430 PolarHBondContact O-N 3.22Å; Q427-G431 PolarHBondContact O-N 2.98Å
428L91.2Very high90.3Very high61 Ų6145.9 Ų45.932%0.31923%0.234SC..Hα-helixtrans-62.9-46.7176.8-65.6172.1000111.1C424 Q425 G431 L432 Y455C424-L428 PolarHBondContact O-N 2.95Å; C424-L428 VanDerWaalsContact O-N 3.07Å; Q425-L428 PolarHBondContact O-N 2.89Å; L428-G431 PolarHBondContact O-N 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.4Å; L428-L432 PolarHBondContact O-N 2.93Å; L428-Y455 HydrophobicContact CB-CE2 4.02Å; L428-Y455 HydrophobicContact CD1-CE2 4.38Å; L428-Y455 WeakPolarHBondContact CD1-OH 3.43Å
429V92.7Very high89.9Confident13 Ų1350.1 Ų50.18%0.07926%0.256CS..Hα-helixtrans-62.2-45.7176.81710000111.4Q425 G431 L432 I433 I451 Q452 Y455Q425-V429 HydrophobicContact CG-CG2 4.37Å; Q425-V429 WeakPolarHBondContact O-CG2 3.4Å; Q425-V429 PolarHBondContact O-N 3.3Å; V429-G431 VanDerWaalsContact C-N 3.3Å; V429-G431 PolarHBondContact O-N 3.47Å; V429-L432 WeakPolarHBondContact O-CB 3.32Å; V429-L432 PolarHBondContact O-N 2.83Å; V429-I433 HydrophobicContact CG1-CD1 3.89Å; V429-I433 VanDerWaalsContact O-CG1 3.27Å; V429-I433 WeakPolarHBondContact O-CG1 3.34Å; V429-I433 PolarHBondContact O-N 2.91Å; V429-I451 HydrophobicContact CG1-CG2 4.26Å; V429-Q452 HydrophobicContact CG1-CG 3.95Å; V429-Y455 HydrophobicContact CG2-CD1 3.91Å; V429-Y455 HydrophobicContact CG2-CD2 3.99Å; V429-Y455 HydrophobicContact CG2-CE1 4.37Å; V429-Y455 HydrophobicContact CG2-CE2 4.39Å; V429-Y455 HydrophobicContact CG2-CG 3.72Å
430E91.2Very high89.8Confident70 Ų7050 Ų5033%0.32726%0.255SS..Hα-helixtrans-66.2-31.9175.8-72.4-61131.500112.6R326 A426 Q427 I433 H434R326-E430 HydrophobicContact CB-CB 3.93Å; A426-E430 WeakPolarHBondContact O-CB 3.49Å; A426-E430 VanDerWaalsContact O-CG 3.28Å; A426-E430 WeakPolarHBondContact O-CG 3.5Å; A426-E430 PolarHBondContact O-N 3.45Å; Q427-E430 PolarHBondContact O-N 3.22Å; E430-I433 PolarHBondContact O-N 3.1Å; E430-H434 VanDerWaalsContact O-CB 3.29Å; E430-H434 WeakPolarHBondContact O-CB 3.5Å; E430-H434 PolarHBondContact O-N 2.82Å
431G92.4Very high90.2Very high19 Ų1945.8 Ų45.820%0.19623%0.233CC..Hα-helixtrans-62.9-45.617100000112.2Q427 L428 V429 H434 F435Q427-G431 PolarHBondContact O-N 2.98Å; L428-G431 PolarHBondContact O-N 3.27Å; V429-G431 VanDerWaalsContact C-N 3.3Å; V429-G431 PolarHBondContact O-N 3.47Å; G431-H434 WeakPolarHBondContact O-CB 3.38Å; G431-H434 PolarHBondContact O-N 2.8Å; G431-F435 WeakPolarHBondContact O-CB 3.39Å; G431-F435 PolarHBondContact O-N 3.23Å
432L94.6Very high90.2Very high3 Ų346.8 Ų46.82%0.01624%0.239CC..Hα-helixtrans-61.5-45.5174.3-70.6164.3000111.6L428 V429 H434 F435 V436 I451 Y455 I460 V463 I466L428-L432 WeakPolarHBondContact O-CG 3.4Å; L428-L432 PolarHBondContact O-N 2.93Å; V429-L432 WeakPolarHBondContact O-CB 3.32Å; V429-L432 PolarHBondContact O-N 2.83Å; L432-H434 VanDerWaalsContact C-N 3.3Å; L432-H434 PolarHBondContact O-N 3.04Å; L432-F435 WeakPolarHBondContact O-CB 3.42Å; L432-F435 PolarHBondContact O-N 2.86Å; L432-V436 WeakPolarHBondContact O-CG1 3.09Å; L432-V436 WeakPolarHBondContact O-CG2 3.3Å; L432-V436 PolarHBondContact O-N 3.17Å; L432-I451 HydrophobicContact CB-CD1 4.33Å; L432-I451 HydrophobicContact CB-CG2 3.65Å; L432-I451 HydrophobicContact CD1-CG2 4.16Å; L432-Y455 HydrophobicContact CD1-CD2 3.85Å; L432-I460 HydrophobicContact CD1-CD1 3.81Å; L432-I460 HydrophobicContact CD1-CG1 4.09Å; L432-I460 HydrophobicContact CD2-CD1 4.27Å; L432-V463 HydrophobicContact CD2-CB 4.44Å; L432-V463 HydrophobicContact CD2-CG1 3.95Å; L432-I466 HydrophobicContact CD2-CD1 4.1Å
433I93Very high90.8Very high29 Ų2942 Ų4215%0.14921%0.207CC..Hα-helixtrans-60.4-41.7176.6-68.5163.5000111V429 E430 V436 S437 T448 I451V429-I433 HydrophobicContact CG1-CD1 3.89Å; V429-I433 VanDerWaalsContact O-CG1 3.27Å; V429-I433 WeakPolarHBondContact O-CG1 3.34Å; V429-I433 PolarHBondContact O-N 2.91Å; E430-I433 PolarHBondContact O-N 3.1Å; I433-V436 VanDerWaalsContact O-CG2 3.27Å; I433-V436 WeakPolarHBondContact O-CG2 3.38Å; I433-S437 PolarHBondContact O-N 2.82Å; I433-T448 HydrophobicContact CD1-CG2 3.68Å; I433-I451 HydrophobicContact CG1-CB 4.26Å; I433-I451 HydrophobicContact CG1-CG1 4.48Å; I433-I451 HydrophobicContact CG1-CG2 4.01Å
434H92.3Very high90.9Very high23 Ų2338.1 Ų38.111%0.10619%0.194CC..Hα-helixtrans-64.7-44.6176.8174.766.7000112.3R326 E430 G431 L432 V436 S437 A440 F505 G506R326-H434 PolarHBondContact NH1-CD2 2.89Å; R326-H434 PolarHBondContact NH1-CE1 2.82Å; R326-H434 PolarHBondContact NH1-ND1 3.31Å; R326-H434 PolarHBondContact NH1-NE2 3.1Å; E430-H434 VanDerWaalsContact O-CB 3.29Å; E430-H434 WeakPolarHBondContact O-CB 3.5Å; E430-H434 PolarHBondContact O-N 2.82Å; G431-H434 WeakPolarHBondContact O-CB 3.38Å; G431-H434 PolarHBondContact O-N 2.8Å; L432-H434 VanDerWaalsContact C-N 3.3Å; L432-H434 PolarHBondContact O-N 3.04Å; H434-V436 VanDerWaalsContact C-N 3.26Å; H434-V436 PolarHBondContact O-N 3.15Å; H434-S437 WeakPolarHBondContact O-CB 3.15Å; H434-S437 PolarHBondContact O-N 3.25Å; H434-S437 VanDerWaalsContact O-N 3.08Å; H434-S437 PolarHBondContact O-OG 2.82Å; H434-A440 VanDerWaalsContact O-CB 3.28Å; H434-A440 WeakPolarHBondContact O-CB 3.42Å; H434-F505 AromaticContact CE1-CD1 3.94Å; H434-F505 AromaticContact CE1-CE1 3.42Å; H434-F505 VanDerWaalsContact CE1-CE1 3.42Å; H434-F505 WeakPolarHBondContact CE1-CE1 3.44Å; H434-F505 AromaticContact CE1-CE2 4Å; H434-F505 AromaticContact CE1-CZ 3.48Å; H434-F505 VanDerWaalsContact CE1-CZ 3.48Å; H434-F505 WeakPolarHBondContact CE1-CZ 3.42Å; H434-F505 PolarHBondContact NE2-O 3.41Å; H434-G506 PolarHBondContact CD2-O 3.29Å
435F95.9Very high90.9Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-57.1-39.3-179.6-178.2-96.8000112.4G431 L432 S437 A440 M441 V463 I466 F467 L503 L568G431-F435 WeakPolarHBondContact O-CB 3.39Å; G431-F435 PolarHBondContact O-N 3.23Å; L432-F435 WeakPolarHBondContact O-CB 3.42Å; L432-F435 PolarHBondContact O-N 2.86Å; F435-S437 VanDerWaalsContact C-N 3.32Å; F435-A440 WeakPolarHBondContact O-CB 3.48Å; F435-M441 HydrophobicContact CD1-CB 4.39Å; F435-M441 HydrophobicContact CD1-CG 4.14Å; F435-M441 HydrophobicContact CD2-CG 4.13Å; F435-M441 HydrophobicContact CE1-CB 4.12Å; F435-M441 HydrophobicContact CE1-CG 3.7Å; F435-M441 HydrophobicContact CE2-CG 3.68Å; F435-M441 HydrophobicContact CG-CG 4.34Å; F435-M441 HydrophobicContact CZ-CB 4.36Å; F435-M441 HydrophobicContact CZ-CG 3.46Å; F435-M441 VanDerWaalsContact CZ-CG 3.46Å; F435-M441 VanDerWaalsContact O-CB 3.3Å; F435-M441 WeakPolarHBondContact O-CB 3.31Å; F435-M441 PolarHBondContact O-N 3.25Å; F435-V463 HydrophobicContact CB-CB 4.38Å; F435-V463 HydrophobicContact CB-CG1 3.64Å; F435-V463 HydrophobicContact CD1-CB 3.91Å; F435-V463 HydrophobicContact CD1-CG1 4.11Å; F435-V463 HydrophobicContact CD2-CB 3.77Å; F435-V463 HydrophobicContact CD2-CG1 3.73Å; F435-V463 HydrophobicContact CD2-CG2 4.12Å; F435-V463 HydrophobicContact CE1-CB 4.05Å; F435-V463 HydrophobicContact CE2-CB 3.93Å; F435-V463 HydrophobicContact CE2-CG1 4.38Å; F435-V463 HydrophobicContact CE2-CG2 3.99Å; F435-V463 HydrophobicContact CG-CB 3.76Å; F435-V463 HydrophobicContact CG-CG1 3.56Å; F435-V463 HydrophobicContact CZ-CB 4.05Å; F435-V463 HydrophobicContact CZ-CG2 4.34Å; F435-I466 HydrophobicContact CD1-CD1 3.95Å; F435-I466 HydrophobicContact CE1-CD1 4.31Å; F435-F467 AromaticContact CE1-CE2 3.78Å; F435-F467 HydrophobicContact CE1-CE2 3.78Å; F435-F467 AromaticContact CE1-CZ 3.92Å; F435-F467 HydrophobicContact CE1-CZ 3.92Å; F435-F467 AromaticContact CZ-CE2 3.78Å; F435-F467 HydrophobicContact CZ-CE2 3.78Å; F435-F467 HydrophobicContact CZ-CZ 4.01Å; F435-L503 HydrophobicContact CE2-CD1 3.98Å; F435-L503 HydrophobicContact CZ-CD1 4.5Å; F435-L568 HydrophobicContact CZ-CD2 4.47Å
436V94.5Very high90.9Very high12 Ų1236.6 Ų36.67%0.07320%0.201CC..THydrogen-bonded Turntrans-84.9-5.2-178.8-55.40000113.7L432 I433 H434 I443 L446 I451 I466L432-V436 WeakPolarHBondContact O-CG1 3.09Å; L432-V436 WeakPolarHBondContact O-CG2 3.3Å; L432-V436 PolarHBondContact O-N 3.17Å; I433-V436 VanDerWaalsContact O-CG2 3.27Å; I433-V436 WeakPolarHBondContact O-CG2 3.38Å; H434-V436 VanDerWaalsContact C-N 3.26Å; H434-V436 PolarHBondContact O-N 3.15Å; V436-I443 HydrophobicContact CB-CB 4.13Å; V436-I443 HydrophobicContact CB-CG1 4.36Å; V436-I443 HydrophobicContact CG1-CB 4.36Å; V436-I443 HydrophobicContact CG1-CD1 4.09Å; V436-I443 HydrophobicContact CG1-CG1 4.34Å; V436-I443 PolarHBondContact O-N 3.43Å; V436-I443 VanDerWaalsContact O-N 3.08Å; V436-L446 HydrophobicContact CB-CB 4.48Å; V436-L446 HydrophobicContact CB-CD2 4.45Å; V436-L446 HydrophobicContact CG1-CD2 3.63Å; V436-L446 HydrophobicContact CG1-CG 4.13Å; V436-L446 WeakPolarHBondContact CG2-O 3.31Å; V436-I451 HydrophobicContact CG1-CD1 4.38Å; V436-I466 HydrophobicContact CG1-CD1 3.78Å
437S89.6Confident90.7Very high39 Ų3937.4 Ų37.427%0.27321%0.211SC..SBendtrans-63.6159.8-176.574.80000113I433 H434 F435 Q439 A440 N442I433-S437 PolarHBondContact O-N 2.82Å; H434-S437 WeakPolarHBondContact O-CB 3.15Å; H434-S437 PolarHBondContact O-N 3.25Å; H434-S437 VanDerWaalsContact O-N 3.08Å; H434-S437 PolarHBondContact O-OG 2.82Å; F435-S437 VanDerWaalsContact C-N 3.32Å; S437-Q439 VanDerWaalsContact C-N 3.26Å; S437-Q439 PolarHBondContact O-N 3.41Å; S437-Q439 VanDerWaalsContact O-N 3.16Å; S437-A440 CarbonylContact O-C 3.56Å; S437-A440 WeakPolarHBondContact O-CA 3.41Å; S437-A440 PolarHBondContact O-N 3.13Å; S437-N442 WeakPolarHBondContact O-CA 3.43Å; S437-N442 PolarHBondContact O-N 2.93Å
438R82.8Confident90.7Very high123 Ų12339 Ų3946%0.46422%0.223SC..THydrogen-bonded Turntrans-55-35-175.4-177.2176.61731660.9114.7D135 N442D135-R438 VanDerWaalsContact CG-NH2 3.29Å; D135-R438 IonicContact OD2-CZ 2.76Å; D135-R438 VanDerWaalsContact OD2-CZ 3.3Å; D135-R438 IonicContact OD2-NE 2.94Å; D135-R438 PolarHBondContact OD2-NE 2.91Å; D135-R438 IonicContact OD2-NH2 3.74Å; D135-R438 PolarHBondContact OD2-NH2 3.24Å; R438-N442 WeakPolarHBondContact CA-OD1 3.14Å
439Q81.2Confident90.7Very high122 Ų12243.2 Ų43.257%0.5724%0.239SC*.THydrogen-bonded Turntrans-86.3-17179.7-73.4179.7-16.900112.9S437 N502 F505 V514S437-Q439 VanDerWaalsContact C-N 3.26Å; S437-Q439 PolarHBondContact O-N 3.41Å; S437-Q439 VanDerWaalsContact O-N 3.16Å; Q439-N502 PolarHBondContact O-ND2 2.9Å; Q439-F505 HydrophobicContact CB-CD1 4.02Å; Q439-F505 HydrophobicContact CB-CE1 3.48Å; Q439-F505 VanDerWaalsContact CB-CE1 3.48Å; Q439-F505 HydrophobicContact CB-CZ 4.32Å; Q439-F505 WeakPolarHBondContact O-CD1 3.44Å; Q439-V514 HydrophobicContact CB-CG2 4.31Å
440A91.9Very high90.7Very high0 Ų043.1 Ų43.10%024%0.238CC..THydrogen-bonded Turntrans-93.7-125.1175.700000109.2H434 F435 S437 N442 N502 F505H434-A440 VanDerWaalsContact O-CB 3.28Å; H434-A440 WeakPolarHBondContact O-CB 3.42Å; F435-A440 WeakPolarHBondContact O-CB 3.48Å; S437-A440 CarbonylContact O-C 3.56Å; S437-A440 WeakPolarHBondContact O-CA 3.41Å; S437-A440 PolarHBondContact O-N 3.13Å; A440-N442 PolarHBondContact O-N 3.27Å; A440-N502 WeakPolarHBondContact O-CB 3.42Å; A440-N502 PolarHBondContact O-ND2 3.31Å; A440-F505 HydrophobicContact CB-CD1 3.91Å; A440-F505 HydrophobicContact CB-CE1 4.4Å
441M95.2Very high90.8Very high1 Ų139.8 Ų39.81%0.00522%0.222CC..THydrogen-bonded Turntrans-80.30.7-176.3-60.2-59.9-74.800114.3F435 I443 F467 A495 N498 N502 L503 V573F435-M441 HydrophobicContact CD1-CB 4.39Å; F435-M441 HydrophobicContact CD1-CG 4.14Å; F435-M441 HydrophobicContact CD2-CG 4.13Å; F435-M441 HydrophobicContact CE1-CB 4.12Å; F435-M441 HydrophobicContact CE1-CG 3.7Å; F435-M441 HydrophobicContact CE2-CG 3.68Å; F435-M441 HydrophobicContact CG-CG 4.34Å; F435-M441 HydrophobicContact CZ-CB 4.36Å; F435-M441 HydrophobicContact CZ-CG 3.46Å; F435-M441 VanDerWaalsContact CZ-CG 3.46Å; F435-M441 VanDerWaalsContact O-CB 3.3Å; F435-M441 WeakPolarHBondContact O-CB 3.31Å; F435-M441 PolarHBondContact O-N 3.25Å; M441-I443 HydrophobicContact CB-CG1 4.25Å; M441-I443 PolarHBondContact O-N 2.99Å; M441-F467 HydrophobicContact CE-CZ 4.32Å; M441-A495 WeakPolarHBondContact CE-O 3.27Å; M441-A495 WeakPolarHBondContact O-CB 3.19Å; M441-N498 VanDerWaalsContact C-ND2 3.26Å; M441-N498 WeakPolarHBondContact CA-ND2 3.2Å; M441-N498 HydrophobicContact CE-CB 4.11Å; M441-N498 PolarHBondContact O-ND2 3.24Å; M441-N498 HydrophobicContact SD-CB 4.22Å; M441-N502 HydrophobicContact SD-CB 4.26Å; M441-L503 HydrophobicContact SD-CB 4.12Å; M441-L503 HydrophobicContact SD-CD1 4.45Å; M441-V573 HydrophobicContact CE-CG1 4Å
442N90Very high90.8Very high54 Ų5442.6 Ų42.629%0.28923%0.23SC..  trans4558.9171.1-171.752.7000114.1S437 R438 A440 D444S437-N442 WeakPolarHBondContact O-CA 3.43Å; S437-N442 PolarHBondContact O-N 2.93Å; R438-N442 WeakPolarHBondContact CA-OD1 3.14Å; A440-N442 PolarHBondContact O-N 3.27Å; N442-D444 PolarHBondContact O-N 3.41Å
443I93.3Very high90.7Very high5 Ų544.4 Ų44.43%0.02624%0.239CC..  trans-92.988.3-179.7-49.5-169.5000109V436 M441 G445 L446 I466 L488 A491 I492 A495V436-I443 HydrophobicContact CB-CB 4.13Å; V436-I443 HydrophobicContact CB-CG1 4.36Å; V436-I443 HydrophobicContact CG1-CB 4.36Å; V436-I443 HydrophobicContact CG1-CD1 4.09Å; V436-I443 HydrophobicContact CG1-CG1 4.34Å; V436-I443 PolarHBondContact O-N 3.43Å; V436-I443 VanDerWaalsContact O-N 3.08Å; M441-I443 HydrophobicContact CB-CG1 4.25Å; M441-I443 PolarHBondContact O-N 2.99Å; I443-G445 PolarHBondContact O-N 2.87Å; I443-L446 HydrophobicContact CB-CB 4.2Å; I443-L446 HydrophobicContact CB-CD2 4.45Å; I443-L446 HydrophobicContact CD1-CD2 4.46Å; I443-L446 HydrophobicContact CG2-CB 3.88Å; I443-L446 HydrophobicContact CG2-CD2 4.05Å; I443-L446 PolarHBondContact O-N 2.7Å; I443-I466 HydrophobicContact CD1-CG2 3.93Å; I443-L488 HydrophobicContact CG2-CD1 4.05Å; I443-A491 HydrophobicContact CG2-CB 4.15Å; I443-I492 HydrophobicContact CD1-CG1 4.39Å; I443-I492 HydrophobicContact CG2-CG1 3.65Å; I443-A495 HydrophobicContact CD1-CB 4.02Å; I443-A495 HydrophobicContact CG1-CB 3.72Å
444D86.6Confident90.8Very high89 Ų8943 Ų4348%0.47623%0.232SC..THydrogen-bonded Turntrans-57.5132.5179.4-81-29.6000111.2K72 N442 A491K72-D444 IonicContact NZ-OD2 2.74Å; N442-D444 PolarHBondContact O-N 3.41Å; D444-A491 WeakPolarHBondContact O-CB 3.27Å
445G88.7Confident90.8Very high49 Ų4944.1 Ų44.151%0.50524%0.235SC..THydrogen-bonded Turntrans92.7-18.6-177.600000115.1I443 G447 I450I443-G445 PolarHBondContact O-N 2.87Å; G445-G447 VanDerWaalsContact C-N 3.32Å; G445-G447 PolarHBondContact O-N 3.35Å; G445-G447 VanDerWaalsContact O-N 3.08Å; G445-I450 VanDerWaalsContact O-CD1 3.29Å; G445-I450 WeakPolarHBondContact O-CD1 3.46Å
446L91Very high90.6Very high4 Ų450.6 Ų50.62%0.02127%0.265CS..  trans-87.663.4-179.8-163.549.5000112.4V436 I443 I450 I451 L454 I466 L488V436-L446 HydrophobicContact CB-CB 4.48Å; V436-L446 HydrophobicContact CB-CD2 4.45Å; V436-L446 HydrophobicContact CG1-CD2 3.63Å; V436-L446 HydrophobicContact CG1-CG 4.13Å; V436-L446 WeakPolarHBondContact CG2-O 3.31Å; I443-L446 HydrophobicContact CB-CB 4.2Å; I443-L446 HydrophobicContact CB-CD2 4.45Å; I443-L446 HydrophobicContact CD1-CD2 4.46Å; I443-L446 HydrophobicContact CG2-CB 3.88Å; I443-L446 HydrophobicContact CG2-CD2 4.05Å; I443-L446 PolarHBondContact O-N 2.7Å; L446-I450 HydrophobicContact CD1-CB 4.23Å; L446-I450 HydrophobicContact CD1-CG2 3.66Å; L446-I451 HydrophobicContact CD1-CD1 3.85Å; L446-I451 HydrophobicContact CD1-CG1 4.28Å; L446-I451 HydrophobicContact CD2-CD1 3.9Å; L446-I451 HydrophobicContact CG-CD1 3.62Å; L446-I451 HydrophobicContact CG-CG1 4.07Å; L446-L454 HydrophobicContact CD1-CD1 3.84Å; L446-I466 HydrophobicContact CD2-CD1 4.31Å; L446-I466 HydrophobicContact CD2-CG2 3.78Å; L446-L488 HydrophobicContact CB-CD1 3.73Å; L446-L488 HydrophobicContact CD1-CD1 4.24Å; L446-L488 HydrophobicContact CD1-CD2 4.25Å; L446-L488 HydrophobicContact CG-CD1 4.37Å
447G87.2Confident90.5Very high38 Ų3853.4 Ų53.439%0.39229%0.286SS..  trans-75.4169.2-17700000114.7G445 K449 I450 I451G445-G447 VanDerWaalsContact C-N 3.32Å; G445-G447 PolarHBondContact O-N 3.35Å; G445-G447 VanDerWaalsContact O-N 3.08Å; G447-K449 VanDerWaalsContact C-N 3.28Å; G447-K449 PolarHBondContact O-N 2.83Å; G447-K449 VanDerWaalsContact O-N 3.1Å; G447-I450 PolarHBondContact O-N 2.84Å; G447-I451 PolarHBondContact O-N 2.86Å; G447-I451 VanDerWaalsContact O-N 3.1Å
448T90.1Very high90.6Very high66 Ų6658.5 Ų58.541%0.40531%0.305SS..Hα-helixtrans-43.9-46.6-179.8-56.80000114.3I433 I450 I451 Q452I433-T448 HydrophobicContact CD1-CG2 3.68Å; T448-I450 PolarHBondContact O-N 3.3Å; T448-I451 PolarHBondContact O-N 2.8Å; T448-Q452 WeakPolarHBondContact O-CB 3.38Å; T448-Q452 VanDerWaalsContact O-CG 3.27Å; T448-Q452 WeakPolarHBondContact O-CG 3.5Å; T448-Q452 PolarHBondContact O-N 3.4Å
449K90.4Very high91.1Very high148 Ų14855.4 Ų55.464%0.64330%0.297SS*.Hα-helixtrans-65.8-36.1-178.5-69.5-171.9176.9-1750113.1G447 Q453G447-K449 VanDerWaalsContact C-N 3.28Å; G447-K449 PolarHBondContact O-N 2.83Å; G447-K449 VanDerWaalsContact O-N 3.1Å; K449-Q453 WeakPolarHBondContact O-CG 3.34Å; K449-Q453 PolarHBondContact O-N 3.38Å; K449-Q453 VanDerWaalsContact O-N 3.07Å
450I92.7Very high91.8Very high12 Ų1249.6 Ų49.66%0.06227%0.27CS..Hα-helixtrans-75-42.4-179.4-62.6173.4000109.2G445 L446 G447 T448 Q452 Q453 L454 L477 M480G445-I450 VanDerWaalsContact O-CD1 3.29Å; G445-I450 WeakPolarHBondContact O-CD1 3.46Å; L446-I450 HydrophobicContact CD1-CB 4.23Å; L446-I450 HydrophobicContact CD1-CG2 3.66Å; G447-I450 PolarHBondContact O-N 2.84Å; T448-I450 PolarHBondContact O-N 3.3Å; I450-Q452 VanDerWaalsContact C-N 3.3Å; I450-Q452 PolarHBondContact O-N 3.21Å; I450-Q453 PolarHBondContact O-N 3.09Å; I450-L454 HydrophobicContact CG2-CD1 3.87Å; I450-L454 HydrophobicContact CG2-CG 4.23Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.15Å; I450-L477 HydrophobicContact CG2-CD1 4.26Å; I450-M480 HydrophobicContact CD1-CE 4.46Å; I450-M480 HydrophobicContact CD1-SD 3.9Å
451I93.6Very high91.7Very high0 Ų056 Ų560%030%0.298CS..Hα-helixtrans-56.6-45.2172.3-69.5-64.6000111.2V429 L432 I433 V436 L446 G447 T448 Q453 L454 Y455 I460V429-I451 HydrophobicContact CG1-CG2 4.26Å; L432-I451 HydrophobicContact CB-CD1 4.33Å; L432-I451 HydrophobicContact CB-CG2 3.65Å; L432-I451 HydrophobicContact CD1-CG2 4.16Å; I433-I451 HydrophobicContact CG1-CB 4.26Å; I433-I451 HydrophobicContact CG1-CG1 4.48Å; I433-I451 HydrophobicContact CG1-CG2 4.01Å; V436-I451 HydrophobicContact CG1-CD1 4.38Å; L446-I451 HydrophobicContact CD1-CD1 3.85Å; L446-I451 HydrophobicContact CD1-CG1 4.28Å; L446-I451 HydrophobicContact CD2-CD1 3.9Å; L446-I451 HydrophobicContact CG-CD1 3.62Å; L446-I451 HydrophobicContact CG-CG1 4.07Å; G447-I451 PolarHBondContact O-N 2.86Å; G447-I451 VanDerWaalsContact O-N 3.1Å; T448-I451 PolarHBondContact O-N 2.8Å; I451-Q453 PolarHBondContact O-N 3.43Å; I451-L454 PolarHBondContact O-N 3.35Å; I451-Y455 WeakPolarHBondContact O-CB 3.36Å; I451-Y455 PolarHBondContact O-N 3.49Å; I451-I460 HydrophobicContact CD1-CD1 3.97Å; I451-I460 HydrophobicContact CG2-CD1 4.49Å
452Q92Very high91.5Very high78 Ų7858.3 Ų58.336%0.36431%0.31SS..Hα-helixtrans-60.2-44.2176.4-75.7170.7-15.400112.1V429 T448 I450 Q456V429-Q452 HydrophobicContact CG1-CG 3.95Å; T448-Q452 WeakPolarHBondContact O-CB 3.38Å; T448-Q452 VanDerWaalsContact O-CG 3.27Å; T448-Q452 WeakPolarHBondContact O-CG 3.5Å; T448-Q452 PolarHBondContact O-N 3.4Å; I450-Q452 VanDerWaalsContact C-N 3.3Å; I450-Q452 PolarHBondContact O-N 3.21Å; Q452-Q456 VanDerWaalsContact O-CB 3.29Å; Q452-Q456 WeakPolarHBondContact O-CB 3.29Å; Q452-Q456 WeakPolarHBondContact O-CG 3.44Å; Q452-Q456 PolarHBondContact O-N 2.83Å
453Q92.9Very high91.7Very high41 Ų4156.5 Ų56.519%0.19230%0.302CS..Hα-helixtrans-64-48.6176.6-73.7176.951.600111.9K449 I450 I451 Y455 Q456 S457 L477K449-Q453 WeakPolarHBondContact O-CG 3.34Å; K449-Q453 PolarHBondContact O-N 3.38Å; K449-Q453 VanDerWaalsContact O-N 3.07Å; I450-Q453 PolarHBondContact O-N 3.09Å; I451-Q453 PolarHBondContact O-N 3.43Å; Q453-Y455 VanDerWaalsContact C-N 3.29Å; Q453-Y455 PolarHBondContact O-N 3.2Å; Q453-Q456 PolarHBondContact O-N 2.7Å; Q453-S457 WeakPolarHBondContact O-CB 3.47Å; Q453-S457 PolarHBondContact O-N 3.06Å; Q453-S457 PolarHBondContact O-OG 3.34Å; Q453-L477 HydrophobicContact CB-CD2 4.18Å
454L94.9Very high91.9Very high0 Ų056.3 Ų56.30%030%0.301CS..Hα-helixtrans-57.3-43.3178.1-74.4168.8000111.8L446 I450 I451 E458 L459 I460 L469 L474 L477L446-L454 HydrophobicContact CD1-CD1 3.84Å; I450-L454 HydrophobicContact CG2-CD1 3.87Å; I450-L454 HydrophobicContact CG2-CG 4.23Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.36Å; I450-L454 PolarHBondContact O-N 3.15Å; I451-L454 PolarHBondContact O-N 3.35Å; L454-E458 PolarHBondContact O-N 2.97Å; L454-L459 HydrophobicContact CD2-CB 4.01Å; L454-L459 HydrophobicContact CD2-CD1 3.79Å; L454-L459 PolarHBondContact O-N 3.46Å; L454-I460 HydrophobicContact CB-CD1 3.54Å; L454-I460 HydrophobicContact CB-CG1 3.73Å; L454-I460 HydrophobicContact CB-CG2 4.32Å; L454-I460 HydrophobicContact CD1-CD1 4.08Å; L454-I460 HydrophobicContact CG-CD1 4.46Å; L454-I460 PolarHBondContact O-N 3.36Å; L454-L469 HydrophobicContact CD1-CD1 3.93Å; L454-L469 HydrophobicContact CD2-CD1 4.3Å; L454-L469 HydrophobicContact CD2-CD2 3.84Å; L454-L474 HydrophobicContact CD2-CD2 4.07Å; L454-L477 HydrophobicContact CD2-CD1 3.69Å; L454-L477 HydrophobicContact CG-CD1 3.94Å
455Y92.4Very high92.3Very high45 Ų4553.5 Ų53.518%0.17629%0.285CS..Hα-helixtrans-68.4-43.2177.5-171.5-80000111.7Q425 L428 V429 L432 I451 Q453 S457 E458Q425-Y455 HydrophobicContact CB-CE1 4.38Å; Q425-Y455 HydrophobicContact CG-CD1 4.2Å; Q425-Y455 HydrophobicContact CG-CE1 3.49Å; Q425-Y455 VanDerWaalsContact CG-CE1 3.49Å; L428-Y455 HydrophobicContact CB-CE2 4.02Å; L428-Y455 HydrophobicContact CD1-CE2 4.38Å; L428-Y455 WeakPolarHBondContact CD1-OH 3.43Å; V429-Y455 HydrophobicContact CG2-CD1 3.91Å; V429-Y455 HydrophobicContact CG2-CD2 3.99Å; V429-Y455 HydrophobicContact CG2-CE1 4.37Å; V429-Y455 HydrophobicContact CG2-CE2 4.39Å; V429-Y455 HydrophobicContact CG2-CG 3.72Å; L432-Y455 HydrophobicContact CD1-CD2 3.85Å; I451-Y455 WeakPolarHBondContact O-CB 3.36Å; I451-Y455 PolarHBondContact O-N 3.49Å; Q453-Y455 VanDerWaalsContact C-N 3.29Å; Q453-Y455 PolarHBondContact O-N 3.2Å; Y455-S457 VanDerWaalsContact C-N 3.3Å; Y455-S457 PolarHBondContact O-N 3.16Å; Y455-E458 PolarHBondContact O-N 3.09Å
456Q91.4Very high92.7Very high137 Ų13751.1 Ų51.164%0.6426%0.261SS*.Hα-helixtrans-64.9-32.7177.8-76.6172.2-1.700112.9Q452 Q453 E458Q452-Q456 VanDerWaalsContact O-CB 3.29Å; Q452-Q456 WeakPolarHBondContact O-CB 3.29Å; Q452-Q456 WeakPolarHBondContact O-CG 3.44Å; Q452-Q456 PolarHBondContact O-N 2.83Å; Q453-Q456 PolarHBondContact O-N 2.7Å; Q456-E458 PolarHBondContact O-N 2.98Å
457S91.9Very high93Very high71 Ų7151.4 Ų51.450%0.49726%0.262SS..THydrogen-bonded Turntrans-82.35.5173.9-630000113.3Q453 Y455 L459Q453-S457 WeakPolarHBondContact O-CB 3.47Å; Q453-S457 PolarHBondContact O-N 3.06Å; Q453-S457 PolarHBondContact O-OG 3.34Å; Y455-S457 VanDerWaalsContact C-N 3.3Å; Y455-S457 PolarHBondContact O-N 3.16Å; S457-L459 PolarHBondContact O-N 2.96Å; S457-L459 VanDerWaalsContact O-N 3.11Å
458E92.8Very high93.4Very high145 Ų14553.8 Ų53.868%0.67826%0.26SS*.THydrogen-bonded Turntrans5719.2-177.5-54.5-170.1170.200115L454 Y455 Q456L454-E458 PolarHBondContact O-N 2.97Å; Y455-E458 PolarHBondContact O-N 3.09Å; Q456-E458 PolarHBondContact O-N 2.98Å
459L93.8Very high93.7Very high58 Ų5851.4 Ų51.430%0.30425%0.245SC..SBendtrans-75.4-26.8178.4-67.4170.5000112.1L454 S457 L469 D473 L477L454-L459 HydrophobicContact CD2-CB 4.01Å; L454-L459 HydrophobicContact CD2-CD1 3.79Å; L454-L459 PolarHBondContact O-N 3.46Å; S457-L459 PolarHBondContact O-N 2.96Å; S457-L459 VanDerWaalsContact O-N 3.11Å; L459-L469 HydrophobicContact CB-CD2 4.37Å; L459-D473 HydrophobicContact CD1-CB 4.25Å; L459-D473 HydrophobicContact CD2-CB 4.22Å; L459-L477 HydrophobicContact CD1-CD2 4.44Å
460I94.5Very high94Very high1 Ų147.3 Ų47.31%0.00523%0.232CC..  trans-132.4141.417368.9-177.2000110.4L432 I451 L454 D465 L469L432-I460 HydrophobicContact CD1-CD1 3.81Å; L432-I460 HydrophobicContact CD1-CG1 4.09Å; L432-I460 HydrophobicContact CD2-CD1 4.27Å; I451-I460 HydrophobicContact CD1-CD1 3.97Å; I451-I460 HydrophobicContact CG2-CD1 4.49Å; L454-I460 HydrophobicContact CB-CD1 3.54Å; L454-I460 HydrophobicContact CB-CG1 3.73Å; L454-I460 HydrophobicContact CB-CG2 4.32Å; L454-I460 HydrophobicContact CD1-CD1 4.08Å; L454-I460 HydrophobicContact CG-CD1 4.46Å; L454-I460 PolarHBondContact O-N 3.36Å; I460-D465 HydrophobicContact CB-CB 3.82Å; I460-D465 HydrophobicContact CG2-CB 3.8Å; I460-L469 HydrophobicContact CG2-CD1 4.2Å; I460-L469 HydrophobicContact CG2-CD2 3.99Å; I460-L469 HydrophobicContact CG2-CG 4.29Å
461K90.5Very high94.1Very high133 Ų13350.9 Ų50.958%0.57825%0.249SC*.SBendtrans-125.9-33.1176.4-63.4179.1-178.2177.20111.3D465K461-D465 WeakPolarHBondContact CA-OD2 3.41Å; K461-D465 PolarHBondContact N-OD2 3.08Å
462D91.3Very high94.2Very high50 Ų5059 Ų5927%0.26729%0.287SS..SBendtrans-131.1173.6174.663.648.4000111.9A464 D465 L564 K567D462-A464 PolarHBondContact O-N 3.29Å; D462-A464 WeakPolarHBondContact OD1-CA 3.4Å; D462-A464 VanDerWaalsContact OD1-CB 3.3Å; D462-A464 WeakPolarHBondContact OD1-CB 3.43Å; D462-A464 PolarHBondContact OD1-N 3.46Å; D462-D465 PolarHBondContact N-OD2 3.37Å; D462-D465 PolarHBondContact O-N 3.31Å; D462-D465 PolarHBondContact OD1-N 3.28Å; D462-L564 HydrophobicContact CB-CD1 3.87Å; D462-K567 IonicContact OD1-NZ 2.8Å; D462-K567 PolarHBondContact OD1-NZ 2.77Å; D462-K567 IonicContact OD2-NZ 3.54Å; D462-K567 PolarHBondContact OD2-NZ 3Å
463V94.4Very high94.3Very high17 Ų1757.6 Ų57.610%0.10328%0.282CS..THydrogen-bonded Turntrans-65-23.5-178-63.50000113L432 F435 L507 L564L432-V463 HydrophobicContact CD2-CB 4.44Å; L432-V463 HydrophobicContact CD2-CG1 3.95Å; F435-V463 HydrophobicContact CB-CB 4.38Å; F435-V463 HydrophobicContact CB-CG1 3.64Å; F435-V463 HydrophobicContact CD1-CB 3.91Å; F435-V463 HydrophobicContact CD1-CG1 4.11Å; F435-V463 HydrophobicContact CD2-CB 3.77Å; F435-V463 HydrophobicContact CD2-CG1 3.73Å; F435-V463 HydrophobicContact CD2-CG2 4.12Å; F435-V463 HydrophobicContact CE1-CB 4.05Å; F435-V463 HydrophobicContact CE2-CB 3.93Å; F435-V463 HydrophobicContact CE2-CG1 4.38Å; F435-V463 HydrophobicContact CE2-CG2 3.99Å; F435-V463 HydrophobicContact CG-CB 3.76Å; F435-V463 HydrophobicContact CG-CG1 3.56Å; F435-V463 HydrophobicContact CZ-CB 4.05Å; F435-V463 HydrophobicContact CZ-CG2 4.34Å; V463-L507 HydrophobicContact CG2-CD2 4.39Å; V463-L564 HydrophobicContact CG2-CD1 3.86Å; V463-L564 HydrophobicContact CG2-CD2 3.92Å; V463-L564 HydrophobicContact CG2-CG 4.26Å
464A95.8Very high94.4Very high1 Ų155.7 Ų55.71%0.00827%0.273CS..THydrogen-bonded Turntrans-76.8-30.9-178.700000111.9D462 I466 F467 Y468 L564 K567 L568D462-A464 PolarHBondContact O-N 3.29Å; D462-A464 WeakPolarHBondContact OD1-CA 3.4Å; D462-A464 VanDerWaalsContact OD1-CB 3.3Å; D462-A464 WeakPolarHBondContact OD1-CB 3.43Å; D462-A464 PolarHBondContact OD1-N 3.46Å; A464-I466 PolarHBondContact O-N 2.91Å; A464-I466 VanDerWaalsContact O-N 3.11Å; A464-F467 PolarHBondContact O-N 2.94Å; A464-Y468 VanDerWaalsContact O-CD2 3.3Å; A464-Y468 WeakPolarHBondContact O-CD2 3.41Å; A464-L564 HydrophobicContact CB-CD1 3.75Å; A464-K567 HydrophobicContact CB-CB 3.98Å; A464-K567 HydrophobicContact CB-CD 3.66Å; A464-K567 HydrophobicContact CB-CG 3.65Å; A464-L568 HydrophobicContact CB-CD2 3.65Å; A464-L568 HydrophobicContact CB-CG 3.84Å
465D96.3Very high94.3Very high29 Ų2959.3 Ų59.316%0.15529%0.292CS..G310 helixtrans-54.9-29176.1-69.2-42.8000112.9I460 K461 D462 F467 Y468 L469 K567I460-D465 HydrophobicContact CB-CB 3.82Å; I460-D465 HydrophobicContact CG2-CB 3.8Å; K461-D465 WeakPolarHBondContact CA-OD2 3.41Å; K461-D465 PolarHBondContact N-OD2 3.08Å; D462-D465 PolarHBondContact N-OD2 3.37Å; D462-D465 PolarHBondContact O-N 3.31Å; D462-D465 PolarHBondContact OD1-N 3.28Å; D465-F467 PolarHBondContact O-N 2.95Å; D465-F467 VanDerWaalsContact O-N 3.16Å; D465-Y468 WeakPolarHBondContact O-CA 3.49Å; D465-Y468 WeakPolarHBondContact O-CB 3.4Å; D465-Y468 PolarHBondContact O-N 3.42Å; D465-L469 PolarHBondContact O-N 3.3Å; D465-K567 WeakPolarHBondContact OD1-CE 3.44Å; D465-K567 IonicContact OD1-NZ 2.85Å; D465-K567 PolarHBondContact OD1-NZ 3.43Å; D465-K567 IonicContact OD2-NZ 3.63Å
466I96.9Very high94.3Very high0 Ų062.3 Ų62.30%032%0.317CS..G310 helixtrans-54.1-37.7176.6-62.1172.6000111.3L432 F435 V436 I443 L446 A464 Y468 L469 I492L432-I466 HydrophobicContact CD2-CD1 4.1Å; F435-I466 HydrophobicContact CD1-CD1 3.95Å; F435-I466 HydrophobicContact CE1-CD1 4.31Å; V436-I466 HydrophobicContact CG1-CD1 3.78Å; I443-I466 HydrophobicContact CD1-CG2 3.93Å; L446-I466 HydrophobicContact CD2-CD1 4.31Å; L446-I466 HydrophobicContact CD2-CG2 3.78Å; A464-I466 PolarHBondContact O-N 2.91Å; A464-I466 VanDerWaalsContact O-N 3.11Å; I466-Y468 VanDerWaalsContact C-N 3.25Å; I466-Y468 PolarHBondContact O-N 3.49Å; I466-L469 HydrophobicContact CG2-CD1 4.47Å; I466-L469 PolarHBondContact O-N 3.26Å; I466-I492 HydrophobicContact CG2-CD1 4.1Å; I466-I492 HydrophobicContact CG2-CG1 4.03Å; I466-I492 HydrophobicContact CG2-CG2 4.32Å
467F97.1Very high94.3Very high9 Ų956.5 Ų56.54%0.03929%0.29CS..G310 helixtrans-82.7-0.5-179-56-80.7000113.7F435 M441 A464 D465 I492 A495 K496 L568 K571 V573F435-F467 AromaticContact CE1-CE2 3.78Å; F435-F467 HydrophobicContact CE1-CE2 3.78Å; F435-F467 AromaticContact CE1-CZ 3.92Å; F435-F467 HydrophobicContact CE1-CZ 3.92Å; F435-F467 AromaticContact CZ-CE2 3.78Å; F435-F467 HydrophobicContact CZ-CE2 3.78Å; F435-F467 HydrophobicContact CZ-CZ 4.01Å; M441-F467 HydrophobicContact CE-CZ 4.32Å; A464-F467 PolarHBondContact O-N 2.94Å; D465-F467 PolarHBondContact O-N 2.95Å; D465-F467 VanDerWaalsContact O-N 3.16Å; F467-I492 HydrophobicContact CD1-CG2 3.85Å; F467-I492 HydrophobicContact CE1-CG2 4.41Å; F467-A495 HydrophobicContact CE1-CB 4.49Å; F467-K496 HydrophobicContact CD1-CD 4.32Å; F467-K496 HydrophobicContact CD1-CG 3.65Å; F467-K496 HydrophobicContact CE1-CG 3.74Å; F467-L568 HydrophobicContact CD2-CD2 3.77Å; F467-L568 HydrophobicContact CE2-CD2 3.55Å; F467-K571 HydrophobicContact CB-CB 3.77Å; F467-K571 HydrophobicContact CB-CG 3.94Å; F467-K571 WeakPolarHBondContact O-CD 3.19Å; F467-K571 WeakPolarHBondContact O-CE 3.28Å; F467-V573 HydrophobicContact CD1-CG2 4.05Å; F467-V573 HydrophobicContact CD2-CG2 3.86Å; F467-V573 HydrophobicContact CE1-CG2 3.92Å; F467-V573 HydrophobicContact CE2-CG2 3.74Å; F467-V573 HydrophobicContact CG-CG2 4.01Å; F467-V573 HydrophobicContact CZ-CG2 3.76Å
468Y96.4Very high94.1Very high89 Ų8958 Ų5835%0.34929%0.292SS..G310 helixtrans-100.1-13.6172.7-69.8-104.8000112.6A464 D465 I466 T470 K567 K571A464-Y468 VanDerWaalsContact O-CD2 3.3Å; A464-Y468 WeakPolarHBondContact O-CD2 3.41Å; D465-Y468 WeakPolarHBondContact O-CA 3.49Å; D465-Y468 WeakPolarHBondContact O-CB 3.4Å; D465-Y468 PolarHBondContact O-N 3.42Å; I466-Y468 VanDerWaalsContact C-N 3.25Å; I466-Y468 PolarHBondContact O-N 3.49Å; Y468-T470 PolarHBondContact O-N 3.24Å; Y468-K567 HydrophobicContact CE2-CG 3.85Å; Y468-K571 HydrophobicContact CD1-CD 4.43Å; Y468-K571 HydrophobicContact CD2-CD 4.28Å; Y468-K571 HydrophobicContact CD2-CG 3.78Å; Y468-K571 HydrophobicContact CE1-CD 4.22Å; Y468-K571 HydrophobicContact CE1-CG 4.21Å; Y468-K571 HydrophobicContact CE2-CB 4.48Å; Y468-K571 HydrophobicContact CE2-CD 4.06Å; Y468-K571 HydrophobicContact CE2-CG 3.26Å; Y468-K571 HydrophobicContact CG-CD 4.44Å; Y468-K571 HydrophobicContact CG-CG 4.42Å; Y468-K571 VanDerWaalsContact CZ-CG 3.49Å
469L96.4Very high93.9Very high16 Ų1660.3 Ų60.38%0.08430%0.295CS..  trans-57.6136.4-178.7-67.6170.6000111.8L454 L459 I460 D465 I466 D473 L474 I492L454-L469 HydrophobicContact CD1-CD1 3.93Å; L454-L469 HydrophobicContact CD2-CD1 4.3Å; L454-L469 HydrophobicContact CD2-CD2 3.84Å; L459-L469 HydrophobicContact CB-CD2 4.37Å; I460-L469 HydrophobicContact CG2-CD1 4.2Å; I460-L469 HydrophobicContact CG2-CD2 3.99Å; I460-L469 HydrophobicContact CG2-CG 4.29Å; D465-L469 PolarHBondContact O-N 3.3Å; I466-L469 HydrophobicContact CG2-CD1 4.47Å; I466-L469 PolarHBondContact O-N 3.26Å; L469-D473 HydrophobicContact CD2-CB 4.14Å; L469-L474 HydrophobicContact CD1-CD2 4.33Å; L469-I492 HydrophobicContact CD1-CD1 4.32Å
470T95.8Very high93.7Very high62 Ų6258.1 Ų58.138%0.3828%0.283SS..  trans-113.3170.7177.5690000110.9Y468 E472 D473 L474Y468-T470 PolarHBondContact O-N 3.24Å; T470-E472 PolarHBondContact O-N 3.25Å; T470-E472 PolarHBondContact OG1-N 3.44Å; T470-D473 WeakPolarHBondContact CB-OD2 3.28Å; T470-D473 PolarHBondContact N-OD2 3.44Å; T470-D473 PolarHBondContact O-N 3.29Å; T470-D473 VanDerWaalsContact OG1-CG 3.27Å; T470-D473 PolarHBondContact OG1-N 2.93Å; T470-D473 PolarHBondContact OG1-OD2 3.46Å; T470-L474 WeakPolarHBondContact O-CG 3.37Å; T470-L474 PolarHBondContact O-N 3.13Å
471E95.5Very high93.4Very high86 Ų8660.1 Ų60.140%0.40230%0.304SS..Hα-helixtrans-58.3-39.6172.8-172.8-179163.400112D473 L474 L475 Q482 V485 L489E471-D473 VanDerWaalsContact C-N 3.26Å; E471-D473 PolarHBondContact O-N 3.08Å; E471-L474 PolarHBondContact O-N 2.99Å; E471-L475 WeakPolarHBondContact O-CB 3.35Å; E471-L475 PolarHBondContact O-N 3.37Å; E471-Q482 PolarHBondContact OE1-NE2 3.07Å; E471-Q482 PolarHBondContact OE1-OE1 3.34Å; E471-V485 HydrophobicContact CB-CG1 4.36Å; E471-V485 HydrophobicContact CG-CG1 3.94Å; E471-L489 HydrophobicContact CB-CD1 4.12Å
472E94.6Very high93.6Very high171 Ų17157.7 Ų57.780%0.79930%0.295SS*.Hα-helixtrans-63.9-30.5179.7-62.4-178.4-178.600112.6T470 P476T470-E472 PolarHBondContact O-N 3.25Å; T470-E472 PolarHBondContact OG1-N 3.44Å; E472-P476 WeakPolarHBondContact O-CD 3.27Å; E472-P476 VanDerWaalsContact O-CG 3.3Å; E472-P476 WeakPolarHBondContact O-CG 3.27Å
473D94.5Very high93.5Very high49 Ų4963 Ų6326%0.26232%0.316SS..Hα-helixtrans-76-32.7177-57.5-51.2000112.2L459 L469 T470 E471L459-D473 HydrophobicContact CD1-CB 4.25Å; L459-D473 HydrophobicContact CD2-CB 4.22Å; L469-D473 HydrophobicContact CD2-CB 4.14Å; T470-D473 WeakPolarHBondContact CB-OD2 3.28Å; T470-D473 PolarHBondContact N-OD2 3.44Å; T470-D473 PolarHBondContact O-N 3.29Å; T470-D473 VanDerWaalsContact OG1-CG 3.27Å; T470-D473 PolarHBondContact OG1-N 2.93Å; T470-D473 PolarHBondContact OG1-OD2 3.46Å; E471-D473 VanDerWaalsContact C-N 3.26Å; E471-D473 PolarHBondContact O-N 3.08Å
474L94.4Very high93.4Very high0 Ų066.2 Ų66.20%033%0.328CS..Hα-helixtrans-92.9-36.7-169.2-69.3173.5000113.5L454 L469 T470 E471 P476 L477 M480 V485 L488 L489L454-L474 HydrophobicContact CD2-CD2 4.07Å; L469-L474 HydrophobicContact CD1-CD2 4.33Å; T470-L474 WeakPolarHBondContact O-CG 3.37Å; T470-L474 PolarHBondContact O-N 3.13Å; E471-L474 PolarHBondContact O-N 2.99Å; L474-P476 VanDerWaalsContact C-CD 3.44Å; L474-L477 HydrophobicContact CD2-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.5Å; L474-L477 WeakPolarHBondContact O-CG 3.49Å; L474-L477 PolarHBondContact O-N 3.46Å; L474-M480 HydrophobicContact CB-CE 4.14Å; L474-M480 HydrophobicContact CD2-CE 4.11Å; L474-M480 WeakPolarHBondContact O-CB 3.45Å; L474-M480 WeakPolarHBondContact O-CG 3.33Å; L474-V485 HydrophobicContact CB-CG1 3.84Å; L474-V485 HydrophobicContact CB-CG2 4.05Å; L474-V485 HydrophobicContact CD1-CG1 4.03Å; L474-L488 HydrophobicContact CD1-CD2 4.01Å; L474-L488 HydrophobicContact CD1-CG 4.42Å; L474-L488 HydrophobicContact CD2-CD2 3.93Å; L474-L489 HydrophobicContact CD1-CD2 3.69Å; L474-L489 HydrophobicContact CD1-CG 3.88Å
475L93.6Very high93.3Very high76 Ų7666.2 Ų66.240%0.39833%0.328SS..THydrogen-bonded Turntrans-61.3-34.3-177.1-160.569.5000114.1E471 L477 V485E471-L475 WeakPolarHBondContact O-CB 3.35Å; E471-L475 PolarHBondContact O-N 3.37Å; L475-L477 PolarHBondContact O-N 2.94Å; L475-V485 HydrophobicContact CD1-CG2 4.06Å
476P93Very high93.3Very high108 Ų10868.3 Ų68.370%0.70134%0.339SS*.THydrogen-bonded Turntrans-70.9-13.2177.1-21.735.1000115.1E472 L474E472-P476 WeakPolarHBondContact O-CD 3.27Å; E472-P476 VanDerWaalsContact O-CG 3.3Å; E472-P476 WeakPolarHBondContact O-CG 3.27Å; L474-P476 VanDerWaalsContact C-CD 3.44Å
477L91.1Very high93.1Very high16 Ų1673.1 Ų73.18%0.08437%0.365CS..SBendtrans-73.3155.3-176.5-59.2-179.6000112.1I450 Q453 L454 L459 L474 L475 R479 M480I450-L477 HydrophobicContact CG2-CD1 4.26Å; Q453-L477 HydrophobicContact CB-CD2 4.18Å; L454-L477 HydrophobicContact CD2-CD1 3.69Å; L454-L477 HydrophobicContact CG-CD1 3.94Å; L459-L477 HydrophobicContact CD1-CD2 4.44Å; L474-L477 HydrophobicContact CD2-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.5Å; L474-L477 WeakPolarHBondContact O-CG 3.49Å; L474-L477 PolarHBondContact O-N 3.46Å; L475-L477 PolarHBondContact O-N 2.94Å; L477-R479 PolarHBondContact O-N 2.91Å; L477-M480 HydrophobicContact CB-CB 4.28Å; L477-M480 HydrophobicContact CB-CG 3.71Å; L477-M480 PolarHBondContact O-N 3.43Å
478D88.5Confident93Very high101 Ų10172.9 Ų72.954%0.5436%0.364SS..THydrogen-bonded Turntrans-64.5130.3-178.4-175.631.9000111M480D478-M480 VanDerWaalsContact C-N 3.31Å; D478-M480 PolarHBondContact O-N 3.39Å
479R87.4Confident93Very high194 Ų19470.8 Ų70.873%0.73236%0.359SS*.THydrogen-bonded Turntrans59.935.4-179.1-47.6175.6-172.2-159.6-6.8114L477 K484L477-R479 PolarHBondContact O-N 2.91Å; R479-K484 WeakPolarHBondContact O-CD 3.5Å; R479-K484 PolarHBondContact O-NZ 3.18Å
480M89Confident93Very high12 Ų1272.8 Ų72.86%0.05938%0.378CS..  trans-107.790.7170.8-68.9-63-91.800110.6I450 L474 L477 D478 K484 V485 L488I450-M480 HydrophobicContact CD1-CE 4.46Å; I450-M480 HydrophobicContact CD1-SD 3.9Å; L474-M480 HydrophobicContact CB-CE 4.14Å; L474-M480 HydrophobicContact CD2-CE 4.11Å; L474-M480 WeakPolarHBondContact O-CB 3.45Å; L474-M480 WeakPolarHBondContact O-CG 3.33Å; L477-M480 HydrophobicContact CB-CB 4.28Å; L477-M480 HydrophobicContact CB-CG 3.71Å; L477-M480 PolarHBondContact O-N 3.43Å; D478-M480 VanDerWaalsContact C-N 3.31Å; D478-M480 PolarHBondContact O-N 3.39Å; M480-K484 HydrophobicContact SD-CD 3.8Å; M480-K484 VanDerWaalsContact SD-CE 3.59Å; M480-K484 HydrophobicContact SD-CG 4.1Å; M480-V485 HydrophobicContact CB-CG2 4.05Å; M480-V485 HydrophobicContact CE-CG2 4.11Å; M480-L488 HydrophobicContact CE-CD2 3.54Å
481G90.1Very high92.9Very high43 Ų4370.4 Ų70.444%0.44336%0.364SS..  trans-86158.3168.800000111.5K483 K484 V485G481-K483 PolarHBondContact O-N 2.93Å; G481-K484 WeakPolarHBondContact O-CA 3.5Å; G481-K484 WeakPolarHBondContact O-CB 3.45Å; G481-K484 PolarHBondContact O-N 3.44Å; G481-V485 PolarHBondContact O-N 3.33Å; G481-V485 VanDerWaalsContact O-N 3.1Å
482Q92.7Very high93Very high82 Ų8266.8 Ų66.838%0.38335%0.347SS..Hα-helixtrans-41.5-58.1-175.9-169.564.348.900113.9E471 K484 V485 D486E471-Q482 PolarHBondContact OE1-NE2 3.07Å; E471-Q482 PolarHBondContact OE1-OE1 3.34Å; Q482-K484 PolarHBondContact O-N 2.94Å; Q482-K484 VanDerWaalsContact O-N 3.1Å; Q482-V485 WeakPolarHBondContact O-CA 3.39Å; Q482-V485 WeakPolarHBondContact O-CB 3.37Å; Q482-V485 PolarHBondContact O-N 3.41Å; Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact O-N 3.2Å
483K90.9Very high93.1Very high163 Ų16363.7 Ų63.771%0.70933%0.333SS*.Hα-helixtrans-56-35-178.6-174.9176.1-178.2178.40113.5G481 N487G481-K483 PolarHBondContact O-N 2.93Å; K483-N487 WeakPolarHBondContact O-CB 3.41Å; K483-N487 PolarHBondContact O-N 3.45Å; K483-N487 VanDerWaalsContact O-N 3.12Å; K483-N487 PolarHBondContact O-ND2 2.68Å; K483-N487 PolarHBondContact O-OD1 2.82Å
484K91.1Very high93.1Very high84 Ų8468.1 Ų68.137%0.36535%0.352SS..Hα-helixtrans-75.3-36.7179.1-173.1179.3169.5-164.30111R479 M480 G481 Q482 L488R479-K484 WeakPolarHBondContact O-CD 3.5Å; R479-K484 PolarHBondContact O-NZ 3.18Å; M480-K484 HydrophobicContact SD-CD 3.8Å; M480-K484 VanDerWaalsContact SD-CE 3.59Å; M480-K484 HydrophobicContact SD-CG 4.1Å; G481-K484 WeakPolarHBondContact O-CA 3.5Å; G481-K484 WeakPolarHBondContact O-CB 3.45Å; G481-K484 PolarHBondContact O-N 3.44Å; Q482-K484 PolarHBondContact O-N 2.94Å; Q482-K484 VanDerWaalsContact O-N 3.1Å; K484-L488 WeakPolarHBondContact O-CB 3.37Å; K484-L488 PolarHBondContact O-N 3.46Å
485V95.1Very high93.1Very high0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-63-49172.6176.60000110.1E471 L474 L475 M480 G481 Q482 N487 L488 L489E471-V485 HydrophobicContact CB-CG1 4.36Å; E471-V485 HydrophobicContact CG-CG1 3.94Å; L474-V485 HydrophobicContact CB-CG1 3.84Å; L474-V485 HydrophobicContact CB-CG2 4.05Å; L474-V485 HydrophobicContact CD1-CG1 4.03Å; L475-V485 HydrophobicContact CD1-CG2 4.06Å; M480-V485 HydrophobicContact CB-CG2 4.05Å; M480-V485 HydrophobicContact CE-CG2 4.11Å; G481-V485 PolarHBondContact O-N 3.33Å; G481-V485 VanDerWaalsContact O-N 3.1Å; Q482-V485 WeakPolarHBondContact O-CA 3.39Å; Q482-V485 WeakPolarHBondContact O-CB 3.37Å; Q482-V485 PolarHBondContact O-N 3.41Å; V485-N487 VanDerWaalsContact C-N 3.34Å; V485-N487 PolarHBondContact O-N 3.11Å; V485-L488 PolarHBondContact O-N 3.27Å; V485-L488 VanDerWaalsContact O-N 3.12Å; V485-L489 HydrophobicContact CG1-CD1 3.94Å; V485-L489 HydrophobicContact CG1-CG 4.37Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.09Å
486D95.2Very high93.3Very high73 Ų7365.7 Ų65.739%0.3934%0.339SS..Hα-helixtrans-57-47.6178.4-56.5-23.9000111.4Q482 L488 L489 A490Q482-D486 PolarHBondContact NE2-OD1 2.85Å; Q482-D486 PolarHBondContact O-N 3.2Å; D486-L488 VanDerWaalsContact C-N 3.34Å; D486-L488 PolarHBondContact O-N 3.47Å; D486-L489 PolarHBondContact O-N 3.25Å; D486-A490 WeakPolarHBondContact O-CB 3.39Å; D486-A490 PolarHBondContact O-N 2.86Å
487N92.7Very high93.4Very high102 Ų10265.3 Ų65.355%0.54533%0.331SS..Hα-helixtrans-62-40.6177.2-74.2-9.1000112.3K483 V485 A490 A491K483-N487 WeakPolarHBondContact O-CB 3.41Å; K483-N487 PolarHBondContact O-N 3.45Å; K483-N487 VanDerWaalsContact O-N 3.12Å; K483-N487 PolarHBondContact O-ND2 2.68Å; K483-N487 PolarHBondContact O-OD1 2.82Å; V485-N487 VanDerWaalsContact C-N 3.34Å; V485-N487 PolarHBondContact O-N 3.11Å; N487-A490 PolarHBondContact O-N 3.35Å; N487-A491 WeakPolarHBondContact O-CB 3.43Å; N487-A491 PolarHBondContact O-N 2.95Å
488L95.3Very high93.5Very high3 Ų366.4 Ų66.42%0.01634%0.337CS..Hα-helixtrans-67.9-44.4179.3174.659.1000111.3I443 L446 L474 M480 K484 V485 D486 A490 A491 I492I443-L488 HydrophobicContact CG2-CD1 4.05Å; L446-L488 HydrophobicContact CB-CD1 3.73Å; L446-L488 HydrophobicContact CD1-CD1 4.24Å; L446-L488 HydrophobicContact CD1-CD2 4.25Å; L446-L488 HydrophobicContact CG-CD1 4.37Å; L474-L488 HydrophobicContact CD1-CD2 4.01Å; L474-L488 HydrophobicContact CD1-CG 4.42Å; L474-L488 HydrophobicContact CD2-CD2 3.93Å; M480-L488 HydrophobicContact CE-CD2 3.54Å; K484-L488 WeakPolarHBondContact O-CB 3.37Å; K484-L488 PolarHBondContact O-N 3.46Å; V485-L488 PolarHBondContact O-N 3.27Å; V485-L488 VanDerWaalsContact O-N 3.12Å; D486-L488 VanDerWaalsContact C-N 3.34Å; D486-L488 PolarHBondContact O-N 3.47Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.41Å; L488-A491 PolarHBondContact O-N 3.49Å; L488-I492 HydrophobicContact CD1-CD1 4.07Å; L488-I492 HydrophobicContact CD1-CG1 4.2Å; L488-I492 HydrophobicContact CG-CD1 3.99Å; L488-I492 WeakPolarHBondContact O-CG1 3.17Å; L488-I492 PolarHBondContact O-N 2.71Å
489L96.5Very high93.8Very high46 Ų4662.1 Ų62.124%0.24132%0.315CS..Hα-helixtrans-62.5-39.9176.2-72.2173.7000111.4E471 L474 V485 D486 I492 Q493E471-L489 HydrophobicContact CB-CD1 4.12Å; L474-L489 HydrophobicContact CD1-CD2 3.69Å; L474-L489 HydrophobicContact CD1-CG 3.88Å; V485-L489 HydrophobicContact CG1-CD1 3.94Å; V485-L489 HydrophobicContact CG1-CG 4.37Å; V485-L489 WeakPolarHBondContact O-CG 3.33Å; V485-L489 PolarHBondContact O-N 3.09Å; D486-L489 PolarHBondContact O-N 3.25Å; L489-I492 PolarHBondContact O-N 3.42Å; L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 PolarHBondContact O-N 2.88Å
490A96Very high94.2Very high58 Ų5852.9 Ų52.948%0.47928%0.28SS..Hα-helixtrans-61.5-43.917300000111.9D486 N487 L488 Q493 Q494D486-A490 WeakPolarHBondContact O-CB 3.39Å; D486-A490 PolarHBondContact O-N 2.86Å; N487-A490 PolarHBondContact O-N 3.35Å; L488-A490 VanDerWaalsContact C-N 3.31Å; L488-A490 PolarHBondContact O-N 3.41Å; A490-Q493 PolarHBondContact O-N 3.37Å; A490-Q494 WeakPolarHBondContact O-CB 3.3Å; A490-Q494 PolarHBondContact O-N 3.44Å
491A95Very high94.5Very high12 Ų1254.1 Ų54.110%0.09929%0.285CS..Hα-helixtrans-63.9-42.1176.400000112.4I443 D444 N487 L488 Q493 Q494 A495I443-A491 HydrophobicContact CG2-CB 4.15Å; D444-A491 WeakPolarHBondContact O-CB 3.27Å; N487-A491 WeakPolarHBondContact O-CB 3.43Å; N487-A491 PolarHBondContact O-N 2.95Å; L488-A491 PolarHBondContact O-N 3.49Å; A491-Q493 VanDerWaalsContact C-N 3.31Å; A491-Q493 PolarHBondContact O-N 2.96Å; A491-Q494 PolarHBondContact O-N 3.24Å; A491-A495 WeakPolarHBondContact O-CB 3.5Å; A491-A495 PolarHBondContact O-N 2.86Å
492I96.6Very high94.7Very high9 Ų954 Ų545%0.04627%0.274CS..Hα-helixtrans-61.1-42.4174.8-70166.9000110.5I443 I466 F467 L469 L488 L489 A495I443-I492 HydrophobicContact CD1-CG1 4.39Å; I443-I492 HydrophobicContact CG2-CG1 3.65Å; I466-I492 HydrophobicContact CG2-CD1 4.1Å; I466-I492 HydrophobicContact CG2-CG1 4.03Å; I466-I492 HydrophobicContact CG2-CG2 4.32Å; F467-I492 HydrophobicContact CD1-CG2 3.85Å; F467-I492 HydrophobicContact CE1-CG2 4.41Å; L469-I492 HydrophobicContact CD1-CD1 4.32Å; L488-I492 HydrophobicContact CD1-CD1 4.07Å; L488-I492 HydrophobicContact CD1-CG1 4.2Å; L488-I492 HydrophobicContact CG-CD1 3.99Å; L488-I492 WeakPolarHBondContact O-CG1 3.17Å; L488-I492 PolarHBondContact O-N 2.71Å; L489-I492 PolarHBondContact O-N 3.42Å; I492-A495 PolarHBondContact O-N 3Å
493Q96.4Very high94.9Very high106 Ų10650.1 Ų50.150%0.49526%0.256SS..Hα-helixtrans-66.5-43.9178.6-17857.132.500111.7L489 A490 A491 A495 K496L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 PolarHBondContact O-N 2.88Å; A490-Q493 PolarHBondContact O-N 3.37Å; A491-Q493 VanDerWaalsContact C-N 3.31Å; A491-Q493 PolarHBondContact O-N 2.96Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 3.03Å; Q493-K496 WeakPolarHBondContact O-CB 3.41Å; Q493-K496 PolarHBondContact O-N 2.9Å
494Q94.3Very high95.1Very high142 Ų14242.5 Ų42.566%0.66422%0.223SC*.Hα-helixtrans-62.8-38176.4-176.4178.84.100112A490 A491 K496 D497A490-Q494 WeakPolarHBondContact O-CB 3.3Å; A490-Q494 PolarHBondContact O-N 3.44Å; A491-Q494 PolarHBondContact O-N 3.24Å; Q494-K496 PolarHBondContact O-N 2.87Å; Q494-K496 VanDerWaalsContact O-N 3.13Å; Q494-D497 WeakPolarHBondContact O-CB 3.48Å; Q494-D497 PolarHBondContact O-N 3.43Å
495A95.3Very high95.2Very high2 Ų239.6 Ų39.62%0.01721%0.211CC..Hα-helixtrans-61.2-24.1-179.200000113.5M441 I443 F467 A491 I492 Q493 D497 N498M441-A495 WeakPolarHBondContact CE-O 3.27Å; M441-A495 WeakPolarHBondContact O-CB 3.19Å; I443-A495 HydrophobicContact CD1-CB 4.02Å; I443-A495 HydrophobicContact CG1-CB 3.72Å; F467-A495 HydrophobicContact CE1-CB 4.49Å; A491-A495 WeakPolarHBondContact O-CB 3.5Å; A491-A495 PolarHBondContact O-N 2.86Å; I492-A495 PolarHBondContact O-N 3Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 3.03Å; A495-D497 PolarHBondContact O-N 3.49Å; A495-N498 WeakPolarHBondContact O-CB 3.34Å; A495-N498 PolarHBondContact O-N 2.95Å; A495-N498 VanDerWaalsContact O-N 3.15Å; A495-N498 PolarHBondContact O-ND2 2.89Å
496K96.8Very high95.2Very high24 Ų2439.7 Ų39.710%0.10421%0.211CC..THydrogen-bonded Turntrans-59.6-26.8174-65177.2178.81750112.6F467 Q493 Q494 K571 V573 N574F467-K496 HydrophobicContact CD1-CD 4.32Å; F467-K496 HydrophobicContact CD1-CG 3.65Å; F467-K496 HydrophobicContact CE1-CG 3.74Å; Q493-K496 WeakPolarHBondContact O-CB 3.41Å; Q493-K496 PolarHBondContact O-N 2.9Å; Q494-K496 PolarHBondContact O-N 2.87Å; Q494-K496 VanDerWaalsContact O-N 3.13Å; K496-K571 WeakPolarHBondContact CD-O 3.41Å; K496-K571 VanDerWaalsContact CE-O 3.28Å; K496-K571 WeakPolarHBondContact CE-O 3.29Å; K496-K571 PolarHBondContact NZ-O 2.89Å; K496-V573 HydrophobicContact CG-CG2 4.26Å; K496-N574 WeakPolarHBondContact O-CB 3.19Å; K496-N574 PolarHBondContact O-N 3.08Å
497D95.9Very high95.1Very high100 Ų10036.9 Ų36.954%0.53520%0.196SC..THydrogen-bonded Turntrans-86-3.7-179.3-79.2-50.6000114.3Q494 A495 K578Q494-D497 WeakPolarHBondContact O-CB 3.48Å; Q494-D497 PolarHBondContact O-N 3.43Å; A495-D497 PolarHBondContact O-N 3.49Å; D497-K578 WeakPolarHBondContact O-CD 3.27Å; D497-K578 WeakPolarHBondContact O-CE 3.48Å; D497-K578 PolarHBondContact O-NZ 2.77Å; D497-K578 IonicContact OD1-NZ 2.7Å; D497-K578 PolarHBondContact OD1-NZ 3.44Å
498N93Very high95Very high39 Ų3932.9 Ų32.921%0.20918%0.179CC..SBendtrans-61.6151.8178.9-69.6-24.4000112.2M441 A495 N502 N574M441-N498 VanDerWaalsContact C-ND2 3.26Å; M441-N498 WeakPolarHBondContact CA-ND2 3.2Å; M441-N498 HydrophobicContact CE-CB 4.11Å; M441-N498 PolarHBondContact O-ND2 3.24Å; M441-N498 HydrophobicContact SD-CB 4.22Å; A495-N498 WeakPolarHBondContact O-CB 3.34Å; A495-N498 PolarHBondContact O-N 2.95Å; A495-N498 VanDerWaalsContact O-N 3.15Å; A495-N498 PolarHBondContact O-ND2 2.89Å; N498-N502 HydrophobicContact CB-CB 4.13Å; N498-N574 WeakPolarHBondContact O-CB 3.32Å; N498-N574 PolarHBondContact O-ND2 3.35Å
499S94.1Very high94.8Very high11 Ų1132.9 Ų32.98%0.07718%0.179CC..  trans-72.4159.2-176.1-170.60000112.3E501 N502 L503 K578S499-E501 VanDerWaalsContact C-N 3.25Å; S499-E501 VanDerWaalsContact CB-CD 3.4Å; S499-E501 VanDerWaalsContact CB-OE1 3.26Å; S499-E501 WeakPolarHBondContact CB-OE1 3.35Å; S499-E501 WeakPolarHBondContact CB-OE2 3.38Å; S499-E501 PolarHBondContact O-N 3.34Å; S499-E501 VanDerWaalsContact OG-CD 3.23Å; S499-E501 PolarHBondContact OG-OE1 3.02Å; S499-E501 PolarHBondContact OG-OE2 3.28Å; S499-N502 WeakPolarHBondContact O-CB 3.27Å; S499-N502 PolarHBondContact O-N 3.44Å; S499-L503 PolarHBondContact O-N 3.23Å; S499-K578 PolarHBondContact OG-N 2.93Å
500L96.6Very high94.2Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-55.4-35.1-175.5176.561.2000113.7N502 L503 L504 A521 I527 L530 I576L500-N502 VanDerWaalsContact C-N 3.29Å; L500-N502 PolarHBondContact O-N 3Å; L500-L503 HydrophobicContact CD1-CD2 4.35Å; L500-L503 WeakPolarHBondContact O-CB 3.47Å; L500-L503 PolarHBondContact O-N 3.29Å; L500-L504 HydrophobicContact CD1-CD2 4.46Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CG-CD1 4.15Å; L500-L504 HydrophobicContact CG-CG 4.23Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.2Å; L500-A521 HydrophobicContact CB-CB 4.04Å; L500-A521 HydrophobicContact CD2-CB 4.07Å; L500-A521 HydrophobicContact CG-CB 3.91Å; L500-I527 HydrophobicContact CD1-CB 3.99Å; L500-I527 HydrophobicContact CD1-CD1 4.47Å; L500-I527 HydrophobicContact CD1-CG1 4.39Å; L500-L530 HydrophobicContact CD2-CD1 4.19Å; L500-I576 PolarHBondContact N-O 3.23Å
501E94.1Very high93.7Very high37 Ų3737 Ų3717%0.17318%0.183CC..Hα-helixtrans-62.1-35.4177.869.2-81-16600112.9S499 F505 S517 Q518 A521 Y577S499-E501 VanDerWaalsContact C-N 3.25Å; S499-E501 VanDerWaalsContact CB-CD 3.4Å; S499-E501 VanDerWaalsContact CB-OE1 3.26Å; S499-E501 WeakPolarHBondContact CB-OE1 3.35Å; S499-E501 WeakPolarHBondContact CB-OE2 3.38Å; S499-E501 PolarHBondContact O-N 3.34Å; S499-E501 VanDerWaalsContact OG-CD 3.23Å; S499-E501 PolarHBondContact OG-OE1 3.02Å; S499-E501 PolarHBondContact OG-OE2 3.28Å; E501-F505 WeakPolarHBondContact O-CB 3.39Å; E501-F505 PolarHBondContact O-N 3.24Å; E501-S517 WeakPolarHBondContact O-CB 3.36Å; E501-Q518 HydrophobicContact CB-CB 4.26Å; E501-A521 HydrophobicContact CB-CB 3.81Å; E501-Y577 WeakPolarHBondContact OE2-CD2 3.29Å; E501-Y577 VanDerWaalsContact OE2-CE2 3.32Å; E501-Y577 WeakPolarHBondContact OE2-CE2 3.39Å
502N94.4Very high93.5Very high40 Ų4036.7 Ų36.721%0.21418%0.18CC..Hα-helixtrans-67.6-41.3176.1-65.6109.6000110.8Q439 A440 M441 N498 S499 L500 G506Q439-N502 PolarHBondContact O-ND2 2.9Å; A440-N502 WeakPolarHBondContact O-CB 3.42Å; A440-N502 PolarHBondContact O-ND2 3.31Å; M441-N502 HydrophobicContact SD-CB 4.26Å; N498-N502 HydrophobicContact CB-CB 4.13Å; S499-N502 WeakPolarHBondContact O-CB 3.27Å; S499-N502 PolarHBondContact O-N 3.44Å; L500-N502 VanDerWaalsContact C-N 3.29Å; L500-N502 PolarHBondContact O-N 3Å; N502-G506 PolarHBondContact O-N 3.06Å
503L96.7Very high93Very high1 Ų137.8 Ų37.81%0.00519%0.193CC..Hα-helixtrans-63.5-50.2175.6175.360.6000110.9F435 M441 S499 L500 F505 G506 L507 I527 L568 M575F435-L503 HydrophobicContact CE2-CD1 3.98Å; F435-L503 HydrophobicContact CZ-CD1 4.5Å; M441-L503 HydrophobicContact SD-CB 4.12Å; M441-L503 HydrophobicContact SD-CD1 4.45Å; S499-L503 PolarHBondContact O-N 3.23Å; L500-L503 HydrophobicContact CD1-CD2 4.35Å; L500-L503 WeakPolarHBondContact O-CB 3.47Å; L500-L503 PolarHBondContact O-N 3.29Å; L503-F505 VanDerWaalsContact C-N 3.32Å; L503-F505 PolarHBondContact O-N 3.23Å; L503-G506 CarbonylContact O-C 3.57Å; L503-G506 PolarHBondContact O-N 3.45Å; L503-G506 VanDerWaalsContact O-N 3.09Å; L503-L507 HydrophobicContact CD1-CD1 4.49Å; L503-L507 HydrophobicContact CD1-CD2 4.43Å; L503-L507 HydrophobicContact CD1-CG 4.2Å; L503-L507 HydrophobicContact CG-CD1 4.42Å; L503-L507 WeakPolarHBondContact O-CG 3.34Å; L503-L507 PolarHBondContact O-N 2.62Å; L503-I527 HydrophobicContact CD2-CD1 3.99Å; L503-L568 HydrophobicContact CD1-CD1 4.05Å; L503-M575 HydrophobicContact CD2-CE 4.24Å; L503-M575 HydrophobicContact CD2-SD 3.5Å; L503-M575 VanDerWaalsContact CD2-SD 3.5Å
504L95.8Very high92.5Very high3 Ų335.8 Ų35.82%0.01619%0.188CC..Hα-helixtrans-58.7-43.7178.9-70.4177000112L500 L512 L520 A521 L530L500-L504 HydrophobicContact CD1-CD2 4.46Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CG-CD1 4.15Å; L500-L504 HydrophobicContact CG-CG 4.23Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.2Å; L504-L512 HydrophobicContact CB-CD2 4.24Å; L504-L520 HydrophobicContact CD1-CB 4.28Å; L504-A521 HydrophobicContact CD1-CB 4.05Å; L504-L530 HydrophobicContact CD1-CD1 3.62Å; L504-L530 HydrophobicContact CD2-CD1 3.88Å; L504-L530 HydrophobicContact CG-CD1 4.3Å
505F94.1Very high91.9Very high24 Ų2433 Ų3311%0.10517%0.174CC..Hα-helixtrans-64.5-44.5174.8-178.9-114000110.9H434 Q439 A440 E501 L503 L507 G508 V514 S517H434-F505 AromaticContact CE1-CD1 3.94Å; H434-F505 AromaticContact CE1-CE1 3.42Å; H434-F505 VanDerWaalsContact CE1-CE1 3.42Å; H434-F505 WeakPolarHBondContact CE1-CE1 3.44Å; H434-F505 AromaticContact CE1-CE2 4Å; H434-F505 AromaticContact CE1-CZ 3.48Å; H434-F505 VanDerWaalsContact CE1-CZ 3.48Å; H434-F505 WeakPolarHBondContact CE1-CZ 3.42Å; H434-F505 PolarHBondContact NE2-O 3.41Å; Q439-F505 HydrophobicContact CB-CD1 4.02Å; Q439-F505 HydrophobicContact CB-CE1 3.48Å; Q439-F505 VanDerWaalsContact CB-CE1 3.48Å; Q439-F505 HydrophobicContact CB-CZ 4.32Å; Q439-F505 WeakPolarHBondContact O-CD1 3.44Å; A440-F505 HydrophobicContact CB-CD1 3.91Å; A440-F505 HydrophobicContact CB-CE1 4.4Å; E501-F505 WeakPolarHBondContact O-CB 3.39Å; E501-F505 PolarHBondContact O-N 3.24Å; L503-F505 VanDerWaalsContact C-N 3.32Å; L503-F505 PolarHBondContact O-N 3.23Å; F505-L507 VanDerWaalsContact C-N 3.35Å; F505-L507 PolarHBondContact O-N 2.75Å; F505-G508 PolarHBondContact O-N 2.87Å; F505-G508 VanDerWaalsContact O-N 3.11Å; F505-V514 HydrophobicContact CD1-CG2 4.11Å; F505-V514 HydrophobicContact CD2-CB 4.46Å; F505-V514 HydrophobicContact CD2-CG2 3.77Å; F505-V514 HydrophobicContact CE1-CG2 3.86Å; F505-V514 HydrophobicContact CE2-CB 4.5Å; F505-V514 HydrophobicContact CE2-CG2 3.49Å; F505-V514 VanDerWaalsContact CE2-CG2 3.49Å; F505-V514 HydrophobicContact CG-CG2 4.06Å; F505-V514 HydrophobicContact CZ-CG2 3.51Å; F505-S517 WeakPolarHBondContact CA-OG 3.43Å; F505-S517 PolarHBondContact N-OG 3.27Å
506G94.3Very high91.6Very high1 Ų133.8 Ų33.81%0.0118%0.18CC..Hα-helixtrans-63-33-179.600000114.7H434 N502 L503 G508H434-G506 PolarHBondContact CD2-O 3.29Å; N502-G506 PolarHBondContact O-N 3.06Å; L503-G506 CarbonylContact O-C 3.57Å; L503-G506 PolarHBondContact O-N 3.45Å; L503-G506 VanDerWaalsContact O-N 3.09Å; G506-G508 PolarHBondContact O-N 3.42Å; G506-G508 VanDerWaalsContact O-N 3.12Å
507L93.8Very high91.4Very high14 Ų1432.6 Ų32.67%0.07318%0.175CC..THydrogen-bonded Turntrans-62.8-15.7174.6-71.1173.4000112.9V463 L503 F505 I509 Y555 L564 L568V463-L507 HydrophobicContact CG2-CD2 4.39Å; L503-L507 HydrophobicContact CD1-CD1 4.49Å; L503-L507 HydrophobicContact CD1-CD2 4.43Å; L503-L507 HydrophobicContact CD1-CG 4.2Å; L503-L507 HydrophobicContact CG-CD1 4.42Å; L503-L507 WeakPolarHBondContact O-CG 3.34Å; L503-L507 PolarHBondContact O-N 2.62Å; F505-L507 VanDerWaalsContact C-N 3.35Å; F505-L507 PolarHBondContact O-N 2.75Å; L507-I509 HydrophobicContact CB-CG1 4.27Å; L507-I509 PolarHBondContact O-N 2.7Å; L507-Y555 HydrophobicContact CB-CE1 4.3Å; L507-Y555 HydrophobicContact CD1-CE1 4.47Å; L507-Y555 PolarHBondContact O-OH 2.99Å; L507-L564 HydrophobicContact CD2-CD2 4.17Å; L507-L568 HydrophobicContact CD2-CD1 4.4Å
508G90.4Very high91.1Very high18 Ų1832 Ų3219%0.18617%0.169CC..THydrogen-bonded Turntrans72.62717000000114.4F505 G506 R510F505-G508 PolarHBondContact O-N 2.87Å; F505-G508 VanDerWaalsContact O-N 3.11Å; G506-G508 PolarHBondContact O-N 3.42Å; G506-G508 VanDerWaalsContact O-N 3.12Å; G508-R510 PolarHBondContact O-N 2.96Å
509I90.8Very high90.9Very high3 Ų331.7 Ų31.72%0.01517%0.168CC..  trans-55.5133.2178.7-53.3-179.9000110L507 H511 L512 V552 Y555L507-I509 HydrophobicContact CB-CG1 4.27Å; L507-I509 PolarHBondContact O-N 2.7Å; I509-H511 PolarHBondContact O-N 3.18Å; I509-L512 HydrophobicContact CB-CB 3.89Å; I509-L512 HydrophobicContact CB-CD2 4.03Å; I509-L512 HydrophobicContact CD1-CD2 3.92Å; I509-L512 HydrophobicContact CG1-CD2 4.32Å; I509-L512 HydrophobicContact CG2-CB 4.23Å; I509-L512 WeakPolarHBondContact O-CB 3.43Å; I509-L512 PolarHBondContact O-N 2.97Å; I509-L512 VanDerWaalsContact O-N 3.13Å; I509-V552 HydrophobicContact CG2-CG2 4.09Å; I509-Y555 HydrophobicContact CB-CG 4.5Å; I509-Y555 HydrophobicContact CD1-CD1 3.61Å; I509-Y555 HydrophobicContact CD1-CE1 3.99Å; I509-Y555 HydrophobicContact CD1-CG 4.22Å; I509-Y555 HydrophobicContact CG1-CD1 3.56Å; I509-Y555 HydrophobicContact CG1-CD2 4.28Å; I509-Y555 HydrophobicContact CG1-CE1 3.71Å; I509-Y555 HydrophobicContact CG1-CE2 4.42Å; I509-Y555 HydrophobicContact CG1-CG 3.86Å; I509-Y555 HydrophobicContact CG2-CG 4.19Å
510R84.2Confident90.9Very high97 Ų9731.2 Ų31.237%0.36617%0.165SC..THydrogen-bonded Turntrans-58.1137.8-177.4-166.6-175.9174.7164.92.2110.3E414 G508 L512 S551E414-R510 IonicContact OE1-NH2 2.79Å; E414-R510 PolarHBondContact OE1-NH2 2.85Å; G508-R510 PolarHBondContact O-N 2.96Å; R510-L512 PolarHBondContact O-N 3.26Å; R510-S551 WeakPolarHBondContact O-CB 3.47Å
511H85.4Confident90.7Very high93 Ų9331.2 Ų31.243%0.43117%0.165SC..THydrogen-bonded Turntrans64.6-9-177-54.5-60.4000116.3I509 G513 V548 S551I509-H511 PolarHBondContact O-N 3.18Å; H511-G513 PolarHBondContact O-N 3.45Å; H511-V548 HydrophobicContact CB-CG2 3.9Å; H511-S551 PolarHBondContact CD2-OG 3.21Å
512L89.7Confident90.5Very high7 Ų731.5 Ų31.54%0.03717%0.166CC..  trans-84.2101.4178-166.572.1000110.7L504 I509 R510 A516 S517 L520 V548 V552L504-L512 HydrophobicContact CB-CD2 4.24Å; I509-L512 HydrophobicContact CB-CB 3.89Å; I509-L512 HydrophobicContact CB-CD2 4.03Å; I509-L512 HydrophobicContact CD1-CD2 3.92Å; I509-L512 HydrophobicContact CG1-CD2 4.32Å; I509-L512 HydrophobicContact CG2-CB 4.23Å; I509-L512 WeakPolarHBondContact O-CB 3.43Å; I509-L512 PolarHBondContact O-N 2.97Å; I509-L512 VanDerWaalsContact O-N 3.13Å; R510-L512 PolarHBondContact O-N 3.26Å; L512-A516 HydrophobicContact CD1-CB 3.59Å; L512-S517 WeakPolarHBondContact CG-OG 3.37Å; L512-L520 HydrophobicContact CD1-CD1 3.61Å; L512-V548 HydrophobicContact CD1-CG1 3.99Å; L512-V552 HydrophobicContact CD1-CG2 4.04Å; L512-V552 HydrophobicContact CD2-CG2 4.39Å
513G87Confident90.3Very high32 Ų3234.4 Ų34.433%0.3318%0.177SC..  trans-93173.417200000112.7H511 K515 A516 S517H511-G513 PolarHBondContact O-N 3.45Å; G513-K515 PolarHBondContact O-N 3.08Å; G513-A516 PolarHBondContact O-N 2.94Å; G513-S517 PolarHBondContact O-N 3.15Å; G513-S517 PolarHBondContact O-OG 2.81Å
514V84.9Confident90.1Very high64 Ų6435.2 Ų35.239%0.38818%0.18SC..Hα-helixtrans-46.4-51.8-176.8-178.90000113.4Q439 F505 A516 S517 Q518Q439-V514 HydrophobicContact CB-CG2 4.31Å; F505-V514 HydrophobicContact CD1-CG2 4.11Å; F505-V514 HydrophobicContact CD2-CB 4.46Å; F505-V514 HydrophobicContact CD2-CG2 3.77Å; F505-V514 HydrophobicContact CE1-CG2 3.86Å; F505-V514 HydrophobicContact CE2-CB 4.5Å; F505-V514 HydrophobicContact CE2-CG2 3.49Å; F505-V514 VanDerWaalsContact CE2-CG2 3.49Å; F505-V514 HydrophobicContact CG-CG2 4.06Å; F505-V514 HydrophobicContact CZ-CG2 3.51Å; V514-A516 PolarHBondContact O-N 2.94Å; V514-S517 WeakPolarHBondContact O-CB 3.27Å; V514-S517 PolarHBondContact O-N 2.85Å; V514-Q518 PolarHBondContact O-N 2.99Å
515K82.3Confident90Very high84 Ų8438.6 Ų38.637%0.36520%0.196SC..Hα-helixtrans-62.4-44.1-178.6-175.7-179.8174.9-164.50112.1G513 S517 Q518 V519 D543G513-K515 PolarHBondContact O-N 3.08Å; K515-S517 VanDerWaalsContact C-N 3.34Å; K515-Q518 PolarHBondContact O-N 3.37Å; K515-V519 WeakPolarHBondContact O-CG2 3.5Å; K515-V519 PolarHBondContact O-N 2.88Å; K515-D543 WeakPolarHBondContact CE-OD2 3.39Å; K515-D543 IonicContact NZ-OD1 3.52Å; K515-D543 IonicContact NZ-OD2 2.63Å; K515-D543 PolarHBondContact NZ-OD2 3.34Å
516A89.1Confident90.1Very high17 Ų1739.6 Ų39.614%0.1420%0.204CC..Hα-helixtrans-66.4-39.4178.800000110.7L512 G513 V514 Q518 V519 L520 I544L512-A516 HydrophobicContact CD1-CB 3.59Å; G513-A516 PolarHBondContact O-N 2.94Å; V514-A516 PolarHBondContact O-N 2.94Å; A516-Q518 VanDerWaalsContact C-N 3.33Å; A516-Q518 PolarHBondContact O-N 3.05Å; A516-V519 PolarHBondContact O-N 3.36Å; A516-L520 WeakPolarHBondContact O-CB 3.34Å; A516-L520 VanDerWaalsContact O-CG 3.28Å; A516-L520 WeakPolarHBondContact O-CG 3.41Å; A516-L520 PolarHBondContact O-N 2.86Å; A516-I544 HydrophobicContact CB-CD1 3.69Å
517S92.7Very high90.1Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-58.3-43172.6-58.50000112.3E501 F505 L512 G513 V514 K515 A521E501-S517 WeakPolarHBondContact O-CB 3.36Å; F505-S517 WeakPolarHBondContact CA-OG 3.43Å; F505-S517 PolarHBondContact N-OG 3.27Å; L512-S517 WeakPolarHBondContact CG-OG 3.37Å; G513-S517 PolarHBondContact O-N 3.15Å; G513-S517 PolarHBondContact O-OG 2.81Å; V514-S517 WeakPolarHBondContact O-CB 3.27Å; V514-S517 PolarHBondContact O-N 2.85Å; K515-S517 VanDerWaalsContact C-N 3.34Å; S517-A521 VanDerWaalsContact O-CB 3.27Å; S517-A521 WeakPolarHBondContact O-CB 3.43Å; S517-A521 PolarHBondContact O-N 3.19Å
518Q89.3Confident90.1Very high86 Ų8643 Ų4340%0.40222%0.222SC..Hα-helixtrans-63.9-49.5177.2-174178.81.700112E501 V514 K515 A516 L520 A521 E522E501-Q518 HydrophobicContact CB-CB 4.26Å; V514-Q518 PolarHBondContact O-N 2.99Å; K515-Q518 PolarHBondContact O-N 3.37Å; A516-Q518 VanDerWaalsContact C-N 3.33Å; A516-Q518 PolarHBondContact O-N 3.05Å; Q518-L520 VanDerWaalsContact C-N 3.29Å; Q518-L520 PolarHBondContact O-N 3.27Å; Q518-A521 PolarHBondContact O-N 3.25Å; Q518-E522 WeakPolarHBondContact O-CB 3.48Å; Q518-E522 PolarHBondContact O-N 2.81Å
519V89.4Confident90.3Very high33 Ų3348 Ų4820%0.224%0.235CC..Hα-helixtrans-58.4-42.4179.2169.50000111.4K515 A516 K523 I541K515-V519 WeakPolarHBondContact O-CG2 3.5Å; K515-V519 PolarHBondContact O-N 2.88Å; A516-V519 PolarHBondContact O-N 3.36Å; V519-K523 WeakPolarHBondContact O-CB 3.42Å; V519-K523 PolarHBondContact O-N 2.85Å; V519-I541 HydrophobicContact CG1-CG2 3.33Å
520L93Very high90.4Very high1 Ų148 Ų481%0.00524%0.235CC..Hα-helixtrans-68.3-44.8177.1-67.7-175.9000112.2L504 L512 A516 Q518 K523 Y524 L530 L538 I541 I544 V552L504-L520 HydrophobicContact CD1-CB 4.28Å; L512-L520 HydrophobicContact CD1-CD1 3.61Å; A516-L520 WeakPolarHBondContact O-CB 3.34Å; A516-L520 VanDerWaalsContact O-CG 3.28Å; A516-L520 WeakPolarHBondContact O-CG 3.41Å; A516-L520 PolarHBondContact O-N 2.86Å; Q518-L520 VanDerWaalsContact C-N 3.29Å; Q518-L520 PolarHBondContact O-N 3.27Å; L520-K523 PolarHBondContact O-N 2.73Å; L520-Y524 HydrophobicContact CD2-CD2 4.44Å; L520-Y524 HydrophobicContact CD2-CE2 4.12Å; L520-Y524 WeakPolarHBondContact O-CD2 3.21Å; L520-Y524 PolarHBondContact O-N 3Å; L520-L530 HydrophobicContact CB-CD2 4.28Å; L520-L538 HydrophobicContact CD2-CD2 3.67Å; L520-I541 HydrophobicContact CD2-CD1 3.58Å; L520-I544 HydrophobicContact CD2-CD1 4.37Å; L520-I544 HydrophobicContact CD2-CG1 4.33Å; L520-I544 HydrophobicContact CG-CD1 4.4Å; L520-V552 HydrophobicContact CD1-CG1 4.36Å; L520-V552 HydrophobicContact CD1-CG2 4.08Å
521A93.6Very high90.9Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-62.9-42.817900000111.7L500 E501 L504 S517 Q518 E525 Y577L500-A521 HydrophobicContact CB-CB 4.04Å; L500-A521 HydrophobicContact CD2-CB 4.07Å; L500-A521 HydrophobicContact CG-CB 3.91Å; E501-A521 HydrophobicContact CB-CB 3.81Å; L504-A521 HydrophobicContact CD1-CB 4.05Å; S517-A521 VanDerWaalsContact O-CB 3.27Å; S517-A521 WeakPolarHBondContact O-CB 3.43Å; S517-A521 PolarHBondContact O-N 3.19Å; Q518-A521 PolarHBondContact O-N 3.25Å; A521-E525 WeakPolarHBondContact O-CA 3.48Å; A521-E525 PolarHBondContact O-N 3.35Å; A521-Y577 HydrophobicContact CB-CD2 3.66Å; A521-Y577 HydrophobicContact CB-CE2 4.34Å; A521-Y577 HydrophobicContact CB-CG 4.3Å; A521-Y577 WeakPolarHBondContact O-CB 3.35Å
522E90.1Very high91.2Very high44 Ų4444.1 Ų44.121%0.20623%0.228CC..Hα-helixtrans-63.9-48.3177.5-175.1-177.317400111.6Q518 Y577 T582Q518-E522 WeakPolarHBondContact O-CB 3.48Å; Q518-E522 PolarHBondContact O-N 2.81Å; E522-Y577 HydrophobicContact CB-CD1 4.36Å; E522-Y577 HydrophobicContact CB-CE1 3.85Å; E522-Y577 HydrophobicContact CB-CE2 4.36Å; E522-Y577 HydrophobicContact CG-CE1 3.83Å; E522-T582 VanDerWaalsContact OE1-CB 3.29Å; E522-T582 WeakPolarHBondContact OE1-CB 3.45Å; E522-T582 PolarHBondContact OE1-N 3.27Å; E522-T582 PolarHBondContact OE1-OG1 2.74Å
523K90.1Very high91.4Very high101 Ų10144.3 Ų44.344%0.43923%0.229SC..Hα-helixtrans-66.5-40.3-176.6-176.1176.4-179.4-176.80113V519 L520 I541V519-K523 WeakPolarHBondContact O-CB 3.42Å; V519-K523 PolarHBondContact O-N 2.85Å; L520-K523 PolarHBondContact O-N 2.73Å; K523-I541 HydrophobicContact CD-CD1 3.6Å; K523-I541 HydrophobicContact CD-CG1 3.62Å
524Y92.8Very high91.7Very high18 Ų1846.1 Ų46.17%0.07123%0.234CC..Hα-helixtrans-103-12.4-172.3-67-72.4000114L520 T526 R529 L530 V533 L538 I541L520-Y524 HydrophobicContact CD2-CD2 4.44Å; L520-Y524 HydrophobicContact CD2-CE2 4.12Å; L520-Y524 WeakPolarHBondContact O-CD2 3.21Å; L520-Y524 PolarHBondContact O-N 3Å; Y524-T526 PolarHBondContact O-N 3.12Å; Y524-R529 HydrophobicContact CD1-CG 3.78Å; Y524-R529 HydrophobicContact CG-CG 4.4Å; Y524-R529 VanDerWaalsContact O-CB 3.28Å; Y524-R529 WeakPolarHBondContact O-CB 3.43Å; Y524-L530 HydrophobicContact CD2-CD2 3.33Å; Y524-L530 HydrophobicContact CD2-CG 4.27Å; Y524-L530 HydrophobicContact CE2-CD2 4.04Å; Y524-L530 HydrophobicContact CG-CD2 3.71Å; Y524-L530 HydrophobicContact CG-CG 4.21Å; Y524-V533 HydrophobicContact CD1-CG1 3.72Å; Y524-V533 HydrophobicContact CD2-CG1 4.46Å; Y524-V533 HydrophobicContact CE1-CB 4.43Å; Y524-V533 HydrophobicContact CE1-CG1 3.34Å; Y524-V533 HydrophobicContact CE2-CG1 4.14Å; Y524-V533 HydrophobicContact CG-CG1 4.25Å; Y524-L538 HydrophobicContact CE2-CD2 3.62Å; Y524-I541 HydrophobicContact CE2-CD1 3.7Å
525E92.8Very high92Very high74 Ų7447 Ų4735%0.34623%0.234SC..  trans62.7-30173.4-52.3-173.6-175.500116.9A521 I576 Y577 K581A521-E525 WeakPolarHBondContact O-CA 3.48Å; A521-E525 PolarHBondContact O-N 3.35Å; E525-I576 CarbonylContact O-C 3.56Å; E525-I576 WeakPolarHBondContact O-CA 3.42Å; E525-Y577 PolarHBondContact O-N 3.31Å; E525-K581 HydrophobicContact CG-CD 4.06Å; E525-K581 WeakPolarHBondContact OE1-CD 3.32Å; E525-K581 VanDerWaalsContact OE1-CE 3.3Å; E525-K581 WeakPolarHBondContact OE1-CE 3.1Å; E525-K581 IonicContact OE1-NZ 3.32Å; E525-K581 PolarHBondContact OE1-NZ 3.19Å; E525-K581 WeakPolarHBondContact OE2-CE 3.48Å; E525-K581 IonicContact OE2-NZ 3.67Å; E525-K581 PolarHBondContact OE2-NZ 3.42Å
526T95.9Very high92.4Very high45 Ų4546.2 Ų46.228%0.27624%0.243SC..BIsolated β-bridgetrans-137.9149.2-174.765.40000111Y524 D528 R529 L530 M575 I576Y524-T526 PolarHBondContact O-N 3.12Å; T526-D528 PolarHBondContact O-N 2.83Å; T526-R529 PolarHBondContact O-N 3.41Å; T526-R529 WeakPolarHBondContact OG1-CB 3.34Å; T526-R529 PolarHBondContact OG1-N 3.11Å; T526-L530 PolarHBondContact O-N 3.15Å; T526-M575 WeakPolarHBondContact CA-O 2.98Å; T526-I576 HydrophobicContact CG2-CG1 4.44Å
527I95.1Very high92.5Very high0 Ų048.3 Ų48.30%025%0.25CS..Hα-helixtrans-62.5-32.6174.2-154.7161000112L500 L503 R529 L530 L531 I565 M575L500-I527 HydrophobicContact CD1-CB 3.99Å; L500-I527 HydrophobicContact CD1-CD1 4.47Å; L500-I527 HydrophobicContact CD1-CG1 4.39Å; L503-I527 HydrophobicContact CD2-CD1 3.99Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 3.09Å; I527-L530 WeakPolarHBondContact O-CB 3.26Å; I527-L530 PolarHBondContact O-N 2.77Å; I527-L531 WeakPolarHBondContact O-CG 3.36Å; I527-L531 PolarHBondContact O-N 3.48Å; I527-I565 HydrophobicContact CD1-CD1 3.9Å; I527-I565 HydrophobicContact CD1-CG1 3.96Å; I527-I565 HydrophobicContact CD1-CG2 3.88Å; I527-I565 HydrophobicContact CG1-CD1 4.36Å; I527-I565 HydrophobicContact CG1-CG2 4.42Å; I527-I565 HydrophobicContact CG2-CG2 4.21Å; I527-M575 HydrophobicContact CB-CB 4.33Å; I527-M575 HydrophobicContact CB-SD 4.39Å; I527-M575 HydrophobicContact CD1-SD 4.09Å; I527-M575 HydrophobicContact CG2-CB 3.72Å; I527-M575 HydrophobicContact CG2-CG 3.93Å; I527-M575 HydrophobicContact CG2-SD 3.86Å; I527-M575 PolarHBondContact N-O 3.19Å
528D94.6Very high92.5Very high85 Ų8548.3 Ų48.346%0.45525%0.25SS..Hα-helixtrans-64.3-37.2179.1-74.3-53.5000111.9T526 L531 K569T526-D528 PolarHBondContact O-N 2.83Å; D528-L531 PolarHBondContact O-N 2.98Å; D528-K569 IonicContact OD1-NZ 2.69Å; D528-K569 PolarHBondContact OD1-NZ 3.34Å; D528-K569 IonicContact OD2-NZ 3.56Å; D528-K569 PolarHBondContact OD2-NZ 3.37Å
529R94.4Very high92.5Very high125 Ų12546.9 Ų46.947%0.47225%0.247SC..Hα-helixtrans-67.1-43.4173.2-16967.9-178.1125.6-0.2111.1Y524 T526 I527 L531 T532 V533Y524-R529 HydrophobicContact CD1-CG 3.78Å; Y524-R529 HydrophobicContact CG-CG 4.4Å; Y524-R529 VanDerWaalsContact O-CB 3.28Å; Y524-R529 WeakPolarHBondContact O-CB 3.43Å; T526-R529 PolarHBondContact O-N 3.41Å; T526-R529 WeakPolarHBondContact OG1-CB 3.34Å; T526-R529 PolarHBondContact OG1-N 3.11Å; I527-R529 VanDerWaalsContact C-N 3.3Å; I527-R529 PolarHBondContact O-N 3.09Å; R529-L531 VanDerWaalsContact C-N 3.28Å; R529-L531 PolarHBondContact O-N 2.92Å; R529-T532 PolarHBondContact NH1-OG1 3.22Å; R529-T532 VanDerWaalsContact NH1-OG1 3.15Å; R529-T532 PolarHBondContact O-N 2.8Å; R529-T532 VanDerWaalsContact O-N 3.11Å; R529-T532 PolarHBondContact O-OG1 3.36Å; R529-V533 WeakPolarHBondContact O-CG1 3.24Å
530L93.1Very high92.4Very high2 Ų252.9 Ų52.91%0.0127%0.273CS..Hα-helixtrans-60.5-33.3176.9-75.7168.3000113.2L500 L504 L520 Y524 T526 I527 T532 V533 L556L500-L530 HydrophobicContact CD2-CD1 4.19Å; L504-L530 HydrophobicContact CD1-CD1 3.62Å; L504-L530 HydrophobicContact CD2-CD1 3.88Å; L504-L530 HydrophobicContact CG-CD1 4.3Å; L520-L530 HydrophobicContact CB-CD2 4.28Å; Y524-L530 HydrophobicContact CD2-CD2 3.33Å; Y524-L530 HydrophobicContact CD2-CG 4.27Å; Y524-L530 HydrophobicContact CE2-CD2 4.04Å; Y524-L530 HydrophobicContact CG-CD2 3.71Å; Y524-L530 HydrophobicContact CG-CG 4.21Å; T526-L530 PolarHBondContact O-N 3.15Å; I527-L530 WeakPolarHBondContact O-CB 3.26Å; I527-L530 PolarHBondContact O-N 2.77Å; L530-T532 PolarHBondContact O-N 3.28Å; L530-T532 VanDerWaalsContact O-N 3.09Å; L530-V533 VanDerWaalsContact O-CG2 3.24Å; L530-V533 WeakPolarHBondContact O-CG2 3.49Å; L530-V533 PolarHBondContact O-N 2.76Å; L530-L556 HydrophobicContact CB-CD1 4.13Å; L530-L556 WeakPolarHBondContact O-CD1 3.06Å
531L93.3Very high92.1Very high25 Ų2553.5 Ų53.513%0.13128%0.276CS..THydrogen-bonded Turntrans-66.6-7.7176.9-74.8171.4000114.4I527 D528 R529 L556 R562 I565I527-L531 WeakPolarHBondContact O-CG 3.36Å; I527-L531 PolarHBondContact O-N 3.48Å; D528-L531 PolarHBondContact O-N 2.98Å; R529-L531 VanDerWaalsContact C-N 3.28Å; R529-L531 PolarHBondContact O-N 2.92Å; L531-L556 HydrophobicContact CD2-CB 4.17Å; L531-L556 HydrophobicContact CD2-CD2 4.07Å; L531-R562 HydrophobicContact CD2-CG 4.27Å; L531-R562 PolarHBondContact O-NH2 2.58Å; L531-I565 HydrophobicContact CD2-CD1 3.98Å
532T93.1Very high91.2Very high84 Ų8460.8 Ų60.852%0.51531%0.31SS..THydrogen-bonded Turntrans-115.5-0.6-177.165.50000114.2R529 L530R529-T532 PolarHBondContact NH1-OG1 3.22Å; R529-T532 VanDerWaalsContact NH1-OG1 3.15Å; R529-T532 PolarHBondContact O-N 2.8Å; R529-T532 VanDerWaalsContact O-N 3.11Å; R529-T532 PolarHBondContact O-OG1 3.36Å; L530-T532 PolarHBondContact O-N 3.28Å; L530-T532 VanDerWaalsContact O-N 3.09Å
533V93.2Very high90.4Very high10 Ų1063.2 Ų63.26%0.06132%0.324CS..  trans-78.8148.5-175.7-54.70000111.6Y524 R529 L530 L538 V553Y524-V533 HydrophobicContact CD1-CG1 3.72Å; Y524-V533 HydrophobicContact CD2-CG1 4.46Å; Y524-V533 HydrophobicContact CE1-CB 4.43Å; Y524-V533 HydrophobicContact CE1-CG1 3.34Å; Y524-V533 HydrophobicContact CE2-CG1 4.14Å; Y524-V533 HydrophobicContact CG-CG1 4.25Å; R529-V533 WeakPolarHBondContact O-CG1 3.24Å; L530-V533 VanDerWaalsContact O-CG2 3.24Å; L530-V533 WeakPolarHBondContact O-CG2 3.49Å; L530-V533 PolarHBondContact O-N 2.76Å; V533-L538 HydrophobicContact CB-CD2 4.34Å; V533-L538 HydrophobicContact CB-CG 4.5Å; V533-L538 HydrophobicContact CG2-CD1 3.98Å; V533-L538 HydrophobicContact CG2-CD2 3.88Å; V533-L538 HydrophobicContact CG2-CG 3.93Å; V533-V553 HydrophobicContact CG2-CG2 4.48Å
534T92.5Very high90.1Very high71 Ų7158.8 Ų58.844%0.43631%0.305SS..  trans-98.4159.9174.162.60000111.6A536 E537 L538T534-A536 PolarHBondContact O-N 2.92Å; T534-E537 WeakPolarHBondContact CB-OE2 3.48Å; T534-E537 PolarHBondContact N-OE2 3.33Å; T534-E537 PolarHBondContact O-N 3.07Å; T534-E537 WeakPolarHBondContact OG1-CG 3.5Å; T534-E537 PolarHBondContact OG1-N 2.92Å; T534-E537 PolarHBondContact OG1-OE2 2.81Å; T534-L538 PolarHBondContact O-N 3.21Å
535E92.4Very high89.8Confident82 Ų8259.8 Ų59.838%0.38332%0.321SS..Hα-helixtrans-57.8-40176.9-66.5-175179.800111.4E537 L538 V539 V553E535-E537 PolarHBondContact O-N 2.79Å; E535-L538 PolarHBondContact O-N 2.8Å; E535-V539 WeakPolarHBondContact O-CG2 3.36Å; E535-V539 PolarHBondContact O-N 3.12Å; E535-V553 HydrophobicContact CB-CG2 4.43Å; E535-V553 HydrophobicContact CG-CB 3.78Å; E535-V553 HydrophobicContact CG-CG1 4.06Å; E535-V553 HydrophobicContact CG-CG2 3.69Å
536A90.9Very high89.6Confident67 Ų6761.8 Ų61.855%0.55433%0.334SS*.Hα-helixtrans-59.6-44.1178.600000112.4T534 L538 V539 E540T534-A536 PolarHBondContact O-N 2.92Å; A536-L538 VanDerWaalsContact C-N 3.28Å; A536-L538 PolarHBondContact O-N 3.24Å; A536-V539 PolarHBondContact O-N 3.22Å; A536-E540 WeakPolarHBondContact O-CG 3.45Å; A536-E540 PolarHBondContact O-N 3.18Å
537E91.2Very high89.3Confident62 Ų6266.7 Ų66.729%0.2935%0.352SS..Hα-helixtrans-65.7-31.7178.2-72.2169.3102.300112.9T534 E535T534-E537 WeakPolarHBondContact CB-OE2 3.48Å; T534-E537 PolarHBondContact N-OE2 3.33Å; T534-E537 PolarHBondContact O-N 3.07Å; T534-E537 WeakPolarHBondContact OG1-CG 3.5Å; T534-E537 PolarHBondContact OG1-N 2.92Å; T534-E537 PolarHBondContact OG1-OE2 2.81Å; E535-E537 PolarHBondContact O-N 2.79Å
538L91.6Very high89Confident0 Ų067.8 Ų67.80%036%0.358CS..Hα-helixtrans-74.8-40.4178.8-68.2-173000111.9L520 Y524 V533 T534 E535 A536 E540 I541 I544 A549 V552 V553L520-L538 HydrophobicContact CD2-CD2 3.67Å; Y524-L538 HydrophobicContact CE2-CD2 3.62Å; V533-L538 HydrophobicContact CB-CD2 4.34Å; V533-L538 HydrophobicContact CB-CG 4.5Å; V533-L538 HydrophobicContact CG2-CD1 3.98Å; V533-L538 HydrophobicContact CG2-CD2 3.88Å; V533-L538 HydrophobicContact CG2-CG 3.93Å; T534-L538 PolarHBondContact O-N 3.21Å; E535-L538 PolarHBondContact O-N 2.8Å; A536-L538 VanDerWaalsContact C-N 3.28Å; A536-L538 PolarHBondContact O-N 3.24Å; L538-E540 PolarHBondContact O-N 2.95Å; L538-I541 HydrophobicContact CD2-CD1 3.9Å; L538-I541 VanDerWaalsContact O-CB 3.28Å; L538-I541 WeakPolarHBondContact O-CB 3.29Å; L538-I541 WeakPolarHBondContact O-CG1 3.14Å; L538-I541 PolarHBondContact O-N 3.41Å; L538-I541 VanDerWaalsContact O-N 3.08Å; L538-I544 HydrophobicContact CB-CG2 4.35Å; L538-I544 WeakPolarHBondContact O-CB 3.45Å; L538-I544 WeakPolarHBondContact O-CG2 3.46Å; L538-A549 HydrophobicContact CB-CB 3.61Å; L538-A549 HydrophobicContact CD1-CB 4.29Å; L538-V552 HydrophobicContact CD1-CB 3.88Å; L538-V552 HydrophobicContact CD1-CG1 3.76Å; L538-V553 HydrophobicContact CD1-CG2 3.79Å
539V89.5Confident88.9Confident56 Ų5663.8 Ų63.834%0.33934%0.337SS..Hα-helixtrans-65.3-26.6178.8174.20000112.1E535 A536 I541 D546 A549E535-V539 WeakPolarHBondContact O-CG2 3.36Å; E535-V539 PolarHBondContact O-N 3.12Å; A536-V539 PolarHBondContact O-N 3.22Å; V539-I541 PolarHBondContact O-N 3.12Å; V539-D546 WeakPolarHBondContact CG2-OD1 3.47Å; V539-A549 HydrophobicContact CG2-CB 3.54Å
540E87.1Confident88.9Confident158 Ų15862.9 Ų62.974%0.73834%0.338SS*.THydrogen-bonded Turntrans-68.8-10.6174-71.8-179175.500113.8A536 L538A536-E540 WeakPolarHBondContact O-CG 3.45Å; A536-E540 PolarHBondContact O-N 3.18Å; L538-E540 PolarHBondContact O-N 2.95Å
541I86.4Confident88.8Confident15 Ų1563.9 Ų63.98%0.07735%0.345CS..SBendtrans-82.4127.1-179.6-56169.4000109.9V519 L520 K523 Y524 L538 V539 D543 I544V519-I541 HydrophobicContact CG1-CG2 3.33Å; L520-I541 HydrophobicContact CD2-CD1 3.58Å; K523-I541 HydrophobicContact CD-CD1 3.6Å; K523-I541 HydrophobicContact CD-CG1 3.62Å; Y524-I541 HydrophobicContact CE2-CD1 3.7Å; L538-I541 HydrophobicContact CD2-CD1 3.9Å; L538-I541 VanDerWaalsContact O-CB 3.28Å; L538-I541 WeakPolarHBondContact O-CB 3.29Å; L538-I541 WeakPolarHBondContact O-CG1 3.14Å; L538-I541 PolarHBondContact O-N 3.41Å; L538-I541 VanDerWaalsContact O-N 3.08Å; V539-I541 PolarHBondContact O-N 3.12Å; I541-D543 PolarHBondContact O-N 3.27Å; I541-I544 HydrophobicContact CB-CB 4Å; I541-I544 HydrophobicContact CB-CG1 3.73Å; I541-I544 HydrophobicContact CD1-CG1 4.48Å; I541-I544 HydrophobicContact CG2-CB 4.47Å; I541-I544 HydrophobicContact CG2-CG1 3.7Å; I541-I544 PolarHBondContact O-N 2.76Å
542H75.6Confident88.8Confident152 Ų15262.8 Ų62.870%0.70434%0.339SS*.THydrogen-bonded Turntrans-53.8131.5172.4-172.8-79.1000110.9I544H542-I544 VanDerWaalsContact C-N 3.34Å
543D73.2Confident88.9Confident95 Ų9559.1 Ų59.151%0.50832%0.317SS..THydrogen-bonded Turntrans73.82.8-173.3-58.7-52.8000117.1K515 I541K515-D543 WeakPolarHBondContact CE-OD2 3.39Å; K515-D543 IonicContact NZ-OD1 3.52Å; K515-D543 IonicContact NZ-OD2 2.63Å; K515-D543 PolarHBondContact NZ-OD2 3.34Å; I541-D543 PolarHBondContact O-N 3.27Å
544I84.4Confident88.8Confident8 Ų862.6 Ų62.64%0.04134%0.338CS..  trans-107.3109.8173.6-54.8-62000109.6A516 L520 L538 I541 H542 V548 A549A516-I544 HydrophobicContact CB-CD1 3.69Å; L520-I544 HydrophobicContact CD2-CD1 4.37Å; L520-I544 HydrophobicContact CD2-CG1 4.33Å; L520-I544 HydrophobicContact CG-CD1 4.4Å; L538-I544 HydrophobicContact CB-CG2 4.35Å; L538-I544 WeakPolarHBondContact O-CB 3.45Å; L538-I544 WeakPolarHBondContact O-CG2 3.46Å; I541-I544 HydrophobicContact CB-CB 4Å; I541-I544 HydrophobicContact CB-CG1 3.73Å; I541-I544 HydrophobicContact CD1-CG1 4.48Å; I541-I544 HydrophobicContact CG2-CB 4.47Å; I541-I544 HydrophobicContact CG2-CG1 3.7Å; I541-I544 PolarHBondContact O-N 2.76Å; H542-I544 VanDerWaalsContact C-N 3.34Å; I544-V548 HydrophobicContact CD1-CG1 4.32Å; I544-V548 HydrophobicContact CG2-CB 4.15Å; I544-V548 HydrophobicContact CG2-CG1 4.12Å; I544-A549 HydrophobicContact CG2-CB 4.39Å
545G85.7Confident88.8Confident39 Ų3961.7 Ų61.740%0.40233%0.327SS..  trans-92.7169.5175.600000113.4K547 V548 A549G545-K547 VanDerWaalsContact C-N 3.28Å; G545-K547 PolarHBondContact O-N 2.91Å; G545-K547 VanDerWaalsContact O-N 3.14Å; G545-V548 PolarHBondContact O-N 3.11Å; G545-A549 PolarHBondContact O-N 3.39Å
546D89.6Confident88.8Confident116 Ų11658 Ų5862%0.6231%0.31SS*.Hα-helixtrans-50.3-44.2-175.4-54.6-61.1000113.5V539 V548 A549 Q550V539-D546 WeakPolarHBondContact CG2-OD1 3.47Å; D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact O-N 3.39Å; D546-A549 PolarHBondContact O-N 3.37Å; D546-Q550 WeakPolarHBondContact O-CB 3.37Å; D546-Q550 PolarHBondContact O-N 2.83Å
547K88.5Confident88.8Confident149 Ų14960.6 Ų60.665%0.64831%0.311SS*.Hα-helixtrans-61.7-36.8-179.8-68.7-172.2177.6-176.30112.9G545 S551G545-K547 VanDerWaalsContact C-N 3.28Å; G545-K547 PolarHBondContact O-N 2.91Å; G545-K547 VanDerWaalsContact O-N 3.14Å; K547-S551 WeakPolarHBondContact O-CB 3.44Å; K547-S551 PolarHBondContact O-N 3.16Å; K547-S551 PolarHBondContact O-OG 3.44Å
548V89.6Confident88.8Confident22 Ų2261 Ų6113%0.13332%0.315CS..Hα-helixtrans-74-48.3178.7-179.80000108.9H511 L512 I544 G545 D546 Q550 S551 V552H511-V548 HydrophobicContact CB-CG2 3.9Å; L512-V548 HydrophobicContact CD1-CG1 3.99Å; I544-V548 HydrophobicContact CD1-CG1 4.32Å; I544-V548 HydrophobicContact CG2-CB 4.15Å; I544-V548 HydrophobicContact CG2-CG1 4.12Å; G545-V548 PolarHBondContact O-N 3.11Å; D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact O-N 3.39Å; V548-Q550 PolarHBondContact O-N 3.02Å; V548-S551 PolarHBondContact O-N 3.28Å; V548-V552 HydrophobicContact CG1-CG2 4.28Å; V548-V552 VanDerWaalsContact O-CG2 3.3Å; V548-V552 WeakPolarHBondContact O-CG2 3.35Å; V548-V552 PolarHBondContact O-N 3.08Å
549A92.7Very high88.8Confident1 Ų167.7 Ų67.71%0.00835%0.346CS..Hα-helixtrans-54.8-53178.600000112L538 V539 I544 G545 D546 S551 V552 V553L538-A549 HydrophobicContact CB-CB 3.61Å; L538-A549 HydrophobicContact CD1-CB 4.29Å; V539-A549 HydrophobicContact CG2-CB 3.54Å; I544-A549 HydrophobicContact CG2-CB 4.39Å; G545-A549 PolarHBondContact O-N 3.39Å; D546-A549 PolarHBondContact O-N 3.37Å; A549-S551 VanDerWaalsContact C-N 3.32Å; A549-S551 PolarHBondContact O-N 3.22Å; A549-V552 PolarHBondContact O-N 3.43Å; A549-V553 PolarHBondContact O-N 3.06Å
550Q93.1Very high88.8Confident107 Ų10771.2 Ų71.250%0.536%0.363SS..Hα-helixtrans-57.7-44.5177.8-176.1178.934.600112D546 V548 V552 T554D546-Q550 WeakPolarHBondContact O-CB 3.37Å; D546-Q550 PolarHBondContact O-N 2.83Å; V548-Q550 PolarHBondContact O-N 3.02Å; Q550-V552 VanDerWaalsContact C-N 3.34Å; Q550-V552 PolarHBondContact O-N 3.31Å; Q550-T554 VanDerWaalsContact O-CB 3.22Å; Q550-T554 WeakPolarHBondContact O-CB 3.36Å; Q550-T554 PolarHBondContact O-N 2.88Å; Q550-T554 PolarHBondContact O-OG1 3.37Å
551S91.7Very high88.9Confident22 Ų2264.8 Ų64.815%0.15433%0.334CS..Hα-helixtrans-65.9-37.5-179.2-63.10000112.5R510 H511 K547 V548 A549 Y555R510-S551 WeakPolarHBondContact O-CB 3.47Å; H511-S551 PolarHBondContact CD2-OG 3.21Å; K547-S551 WeakPolarHBondContact O-CB 3.44Å; K547-S551 PolarHBondContact O-N 3.16Å; K547-S551 PolarHBondContact O-OG 3.44Å; V548-S551 PolarHBondContact O-N 3.28Å; A549-S551 VanDerWaalsContact C-N 3.32Å; A549-S551 PolarHBondContact O-N 3.22Å; S551-Y555 WeakPolarHBondContact O-CB 3.3Å; S551-Y555 PolarHBondContact O-N 3.45Å; S551-Y555 VanDerWaalsContact O-N 3.13Å
552V93.3Very high89.3Confident2 Ų268.1 Ų68.11%0.01235%0.345CS..Hα-helixtrans-68-50.6178170.50000110.6I509 L512 L520 L538 V548 A549 Q550 Y555 L556I509-V552 HydrophobicContact CG2-CG2 4.09Å; L512-V552 HydrophobicContact CD1-CG2 4.04Å; L512-V552 HydrophobicContact CD2-CG2 4.39Å; L520-V552 HydrophobicContact CD1-CG1 4.36Å; L520-V552 HydrophobicContact CD1-CG2 4.08Å; L538-V552 HydrophobicContact CD1-CB 3.88Å; L538-V552 HydrophobicContact CD1-CG1 3.76Å; V548-V552 HydrophobicContact CG1-CG2 4.28Å; V548-V552 VanDerWaalsContact O-CG2 3.3Å; V548-V552 WeakPolarHBondContact O-CG2 3.35Å; V548-V552 PolarHBondContact O-N 3.08Å; A549-V552 PolarHBondContact O-N 3.43Å; Q550-V552 VanDerWaalsContact C-N 3.34Å; Q550-V552 PolarHBondContact O-N 3.31Å; V552-Y555 PolarHBondContact O-N 2.93Å; V552-L556 HydrophobicContact CG1-CD1 3.71Å; V552-L556 HydrophobicContact CG1-CG 4.39Å; V552-L556 WeakPolarHBondContact O-CB 3.06Å; V552-L556 VanDerWaalsContact O-CG 3.32Å; V552-L556 WeakPolarHBondContact O-CG 3.1Å; V552-L556 PolarHBondContact O-N 3.07Å
553V94.4Very high90.1Very high7 Ų763.8 Ų63.84%0.04234%0.336CS..Hα-helixtrans-62.5-49.8-179.5174.30000110.7V533 E535 L538 A549 Y555 L556 E557V533-V553 HydrophobicContact CG2-CG2 4.48Å; E535-V553 HydrophobicContact CB-CG2 4.43Å; E535-V553 HydrophobicContact CG-CB 3.78Å; E535-V553 HydrophobicContact CG-CG1 4.06Å; E535-V553 HydrophobicContact CG-CG2 3.69Å; L538-V553 HydrophobicContact CD1-CG2 3.79Å; A549-V553 PolarHBondContact O-N 3.06Å; V553-Y555 PolarHBondContact O-N 2.8Å; V553-L556 PolarHBondContact O-N 3.18Å; V553-L556 VanDerWaalsContact O-N 3.09Å; V553-E557 HydrophobicContact CG1-CG 4.07Å; V553-E557 WeakPolarHBondContact O-CB 3.28Å; V553-E557 WeakPolarHBondContact O-CG 3.28Å; V553-E557 PolarHBondContact O-N 3.16Å
554T92.8Very high91.1Very high83 Ų8360.2 Ų60.251%0.50932%0.317SS..Hα-helixtrans-55.3-38.8177.8-59.20000111.9Q550Q550-T554 VanDerWaalsContact O-CB 3.22Å; Q550-T554 WeakPolarHBondContact O-CB 3.36Å; Q550-T554 PolarHBondContact O-N 2.88Å; Q550-T554 PolarHBondContact O-OG1 3.37Å
555Y91.9Very high91.6Very high52 Ų5260 Ų6020%0.20432%0.315CS..Hα-helixtrans-70.6-43.7178.5-172.9-90.4000112.2L507 I509 S551 V552 V553 N558 I561L507-Y555 HydrophobicContact CB-CE1 4.3Å; L507-Y555 HydrophobicContact CD1-CE1 4.47Å; L507-Y555 PolarHBondContact O-OH 2.99Å; I509-Y555 HydrophobicContact CB-CG 4.5Å; I509-Y555 HydrophobicContact CD1-CD1 3.61Å; I509-Y555 HydrophobicContact CD1-CE1 3.99Å; I509-Y555 HydrophobicContact CD1-CG 4.22Å; I509-Y555 HydrophobicContact CG1-CD1 3.56Å; I509-Y555 HydrophobicContact CG1-CD2 4.28Å; I509-Y555 HydrophobicContact CG1-CE1 3.71Å; I509-Y555 HydrophobicContact CG1-CE2 4.42Å; I509-Y555 HydrophobicContact CG1-CG 3.86Å; I509-Y555 HydrophobicContact CG2-CG 4.19Å; S551-Y555 WeakPolarHBondContact O-CB 3.3Å; S551-Y555 PolarHBondContact O-N 3.45Å; S551-Y555 VanDerWaalsContact O-N 3.13Å; V552-Y555 PolarHBondContact O-N 2.93Å; V553-Y555 PolarHBondContact O-N 2.8Å; Y555-N558 WeakPolarHBondContact O-CB 3.44Å; Y555-N558 PolarHBondContact O-N 2.96Å; Y555-I561 HydrophobicContact CD1-CG1 4.3Å; Y555-I561 HydrophobicContact CD1-CG2 3.71Å; Y555-I561 HydrophobicContact CD2-CG1 4.37Å; Y555-I561 HydrophobicContact CE1-CB 4.33Å; Y555-I561 HydrophobicContact CE1-CD1 4.04Å; Y555-I561 HydrophobicContact CE1-CG1 4.02Å; Y555-I561 HydrophobicContact CE1-CG2 3.37Å; Y555-I561 HydrophobicContact CE2-CD1 3.8Å; Y555-I561 HydrophobicContact CE2-CG1 4.09Å; Y555-I561 HydrophobicContact CG-CG1 4.47Å; Y555-I561 VanDerWaalsContact CZ-CD1 3.49Å; Y555-I561 WeakPolarHBondContact O-CB 3.5Å; Y555-I561 WeakPolarHBondContact O-CG1 3.47Å; Y555-I561 WeakPolarHBondContact O-CG2 3.39Å; Y555-I561 WeakPolarHBondContact OH-CD1 3.41Å
556L91.6Very high92.1Very high5 Ų562.6 Ų62.63%0.02632%0.317CS..Hα-helixtrans-77.1-22.4-176.7-68.4178.2000113.7L530 L531 V552 V553 N558 R562 I565L530-L556 HydrophobicContact CB-CD1 4.13Å; L530-L556 WeakPolarHBondContact O-CD1 3.06Å; L531-L556 HydrophobicContact CD2-CB 4.17Å; L531-L556 HydrophobicContact CD2-CD2 4.07Å; V552-L556 HydrophobicContact CG1-CD1 3.71Å; V552-L556 HydrophobicContact CG1-CG 4.39Å; V552-L556 WeakPolarHBondContact O-CB 3.06Å; V552-L556 VanDerWaalsContact O-CG 3.32Å; V552-L556 WeakPolarHBondContact O-CG 3.1Å; V552-L556 PolarHBondContact O-N 3.07Å; V553-L556 PolarHBondContact O-N 3.18Å; V553-L556 VanDerWaalsContact O-N 3.09Å; L556-N558 VanDerWaalsContact C-N 3.31Å; L556-R562 PolarHBondContact O-NE 3.49Å; L556-R562 VanDerWaalsContact O-NE 3.13Å; L556-R562 PolarHBondContact O-NH2 2.71Å; L556-I565 HydrophobicContact CD2-CD1 4.14Å
557E91.8Very high92.4Very high121 Ų12159.2 Ų59.257%0.56530%0.297SS*.Hα-helixtrans-76.1-17.8172.6-73.8-176.3160.900113.2V553 E559V553-E557 HydrophobicContact CG1-CG 4.07Å; V553-E557 WeakPolarHBondContact O-CB 3.28Å; V553-E557 WeakPolarHBondContact O-CG 3.28Å; V553-E557 PolarHBondContact O-N 3.16Å; E557-E559 PolarHBondContact O-N 2.94Å
558N90.7Very high92.8Very high71 Ų7152.1 Ų52.138%0.3827%0.266SS..  trans-68.5125-178.9-175.1-49000111.9Y555 L556 D560 I561 R562Y555-N558 WeakPolarHBondContact O-CB 3.44Å; Y555-N558 PolarHBondContact O-N 2.96Å; L556-N558 VanDerWaalsContact C-N 3.31Å; N558-D560 VanDerWaalsContact C-N 3.34Å; N558-D560 PolarHBondContact O-N 2.85Å; N558-D560 WeakPolarHBondContact OD1-CB 3.29Å; N558-D560 PolarHBondContact OD1-N 2.76Å; N558-I561 HydrophobicContact CB-CB 4.16Å; N558-I561 HydrophobicContact CB-CG1 3.87Å; N558-I561 WeakPolarHBondContact O-CB 3.38Å; N558-I561 PolarHBondContact O-N 3.42Å; N558-I561 VanDerWaalsContact O-N 3.08Å; N558-I561 PolarHBondContact OD1-N 2.93Å; N558-R562 PolarHBondContact O-N 2.88Å
559E91.2Very high93.1Very high140 Ų14053.4 Ų53.465%0.65427%0.27SS*.Hα-helixtrans-60.2-36.9-178.7-67.3-59.5145.600113.8E557 I561 R562 A563E557-E559 PolarHBondContact O-N 2.94Å; E559-I561 VanDerWaalsContact C-N 3.28Å; E559-I561 PolarHBondContact O-N 3.07Å; E559-R562 PolarHBondContact O-N 3.23Å; E559-A563 WeakPolarHBondContact O-CB 2.88Å; E559-A563 PolarHBondContact O-N 2.81Å
560D89.2Confident93.3Very high130 Ų13057.7 Ų57.770%0.69529%0.292SS*.Hα-helixtrans-66.1-35.4176.7-65.2-35.4000110.8N558 A563 L564N558-D560 VanDerWaalsContact C-N 3.34Å; N558-D560 PolarHBondContact O-N 2.85Å; N558-D560 WeakPolarHBondContact OD1-CB 3.29Å; N558-D560 PolarHBondContact OD1-N 2.76Å; D560-A563 PolarHBondContact O-N 2.78Å; D560-L564 WeakPolarHBondContact O-CB 3.3Å; D560-L564 PolarHBondContact O-N 3.48Å
561I90.8Very high93.5Very high24 Ų2455.5 Ų55.512%0.12328%0.281CS..Hα-helixtrans-71.3-39.9175.4-61.8-51.6000111.1Y555 N558 E559 A563 L564 I565Y555-I561 HydrophobicContact CD1-CG1 4.3Å; Y555-I561 HydrophobicContact CD1-CG2 3.71Å; Y555-I561 HydrophobicContact CD2-CG1 4.37Å; Y555-I561 HydrophobicContact CE1-CB 4.33Å; Y555-I561 HydrophobicContact CE1-CD1 4.04Å; Y555-I561 HydrophobicContact CE1-CG1 4.02Å; Y555-I561 HydrophobicContact CE1-CG2 3.37Å; Y555-I561 HydrophobicContact CE2-CD1 3.8Å; Y555-I561 HydrophobicContact CE2-CG1 4.09Å; Y555-I561 HydrophobicContact CG-CG1 4.47Å; Y555-I561 VanDerWaalsContact CZ-CD1 3.49Å; Y555-I561 WeakPolarHBondContact O-CB 3.5Å; Y555-I561 WeakPolarHBondContact O-CG1 3.47Å; Y555-I561 WeakPolarHBondContact O-CG2 3.39Å; Y555-I561 WeakPolarHBondContact OH-CD1 3.41Å; N558-I561 HydrophobicContact CB-CB 4.16Å; N558-I561 HydrophobicContact CB-CG1 3.87Å; N558-I561 WeakPolarHBondContact O-CB 3.38Å; N558-I561 PolarHBondContact O-N 3.42Å; N558-I561 VanDerWaalsContact O-N 3.08Å; N558-I561 PolarHBondContact OD1-N 2.93Å; E559-I561 VanDerWaalsContact C-N 3.28Å; E559-I561 PolarHBondContact O-N 3.07Å; I561-A563 VanDerWaalsContact C-N 3.3Å; I561-A563 PolarHBondContact O-N 3.3Å; I561-L564 HydrophobicContact CD1-CD2 4.4Å; I561-L564 WeakPolarHBondContact O-CB 3.41Å; I561-L564 PolarHBondContact O-N 2.66Å; I561-I565 HydrophobicContact CG2-CD1 3.97Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 WeakPolarHBondContact O-CG1 3.33Å; I561-I565 PolarHBondContact O-N 3.01Å
562R93.1Very high93.7Very high84 Ų8461.9 Ų61.932%0.31731%0.309SS..Hα-helixtrans-60.5-42.5173.6-69.9178.5175.4-85-6.8111L531 L556 N558 E559 I565 Q566L531-R562 HydrophobicContact CD2-CG 4.27Å; L531-R562 PolarHBondContact O-NH2 2.58Å; L556-R562 PolarHBondContact O-NE 3.49Å; L556-R562 VanDerWaalsContact O-NE 3.13Å; L556-R562 PolarHBondContact O-NH2 2.71Å; N558-R562 PolarHBondContact O-N 2.88Å; E559-R562 PolarHBondContact O-N 3.23Å; R562-I565 PolarHBondContact O-N 2.94Å; R562-Q566 PolarHBondContact O-N 2.76Å
563A94.1Very high93.9Very high61 Ų6162 Ų6250%0.50431%0.309SS..Hα-helixtrans-63.8-42174.200000112.4E559 D560 I561 Q566 K567E559-A563 WeakPolarHBondContact O-CB 2.88Å; E559-A563 PolarHBondContact O-N 2.81Å; D560-A563 PolarHBondContact O-N 2.78Å; I561-A563 VanDerWaalsContact C-N 3.3Å; I561-A563 PolarHBondContact O-N 3.3Å; A563-Q566 WeakPolarHBondContact O-CB 3.32Å; A563-Q566 PolarHBondContact O-N 3.37Å; A563-K567 PolarHBondContact O-N 3.21Å
564L93.9Very high94Very high21 Ų2162.8 Ų62.811%0.1131%0.313CS..Hα-helixtrans-59.8-46.6174.7176.367000111.9D462 V463 A464 L507 D560 I561 Q566 K567 L568D462-L564 HydrophobicContact CB-CD1 3.87Å; V463-L564 HydrophobicContact CG2-CD1 3.86Å; V463-L564 HydrophobicContact CG2-CD2 3.92Å; V463-L564 HydrophobicContact CG2-CG 4.26Å; A464-L564 HydrophobicContact CB-CD1 3.75Å; L507-L564 HydrophobicContact CD2-CD2 4.17Å; D560-L564 WeakPolarHBondContact O-CB 3.3Å; D560-L564 PolarHBondContact O-N 3.48Å; I561-L564 HydrophobicContact CD1-CD2 4.4Å; I561-L564 WeakPolarHBondContact O-CB 3.41Å; I561-L564 PolarHBondContact O-N 2.66Å; L564-Q566 VanDerWaalsContact C-N 3.28Å; L564-Q566 PolarHBondContact O-N 2.77Å; L564-K567 WeakPolarHBondContact O-CB 3.05Å; L564-K567 PolarHBondContact O-N 2.91Å; L564-L568 HydrophobicContact CG-CD1 4.48Å; L564-L568 WeakPolarHBondContact O-CG 3.45Å; L564-L568 PolarHBondContact O-N 3.28Å
565I94.9Very high94.3Very high2 Ų259.7 Ų59.71%0.0129%0.293CS..Hα-helixtrans-59.8-42.4176.7-71.1166.4000110.1I527 L531 L556 I561 R562 K567 L568 K569I527-I565 HydrophobicContact CD1-CD1 3.9Å; I527-I565 HydrophobicContact CD1-CG1 3.96Å; I527-I565 HydrophobicContact CD1-CG2 3.88Å; I527-I565 HydrophobicContact CG1-CD1 4.36Å; I527-I565 HydrophobicContact CG1-CG2 4.42Å; I527-I565 HydrophobicContact CG2-CG2 4.21Å; L531-I565 HydrophobicContact CD2-CD1 3.98Å; L556-I565 HydrophobicContact CD2-CD1 4.14Å; I561-I565 HydrophobicContact CG2-CD1 3.97Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 WeakPolarHBondContact O-CG1 3.33Å; I561-I565 PolarHBondContact O-N 3.01Å; R562-I565 PolarHBondContact O-N 2.94Å; I565-K567 PolarHBondContact O-N 3.04Å; I565-L568 WeakPolarHBondContact O-CB 3.46Å; I565-L568 PolarHBondContact O-N 2.93Å; I565-K569 WeakPolarHBondContact O-CG 3.18Å; I565-K569 PolarHBondContact O-N 2.83Å
566Q95.7Very high94.5Very high94 Ų9461.6 Ų61.644%0.43931%0.306SS..Hα-helixtrans-61.9-43.8176.1-172.65749.900112R562 A563 L564 L568 K569 D570R562-Q566 PolarHBondContact O-N 2.76Å; A563-Q566 WeakPolarHBondContact O-CB 3.32Å; A563-Q566 PolarHBondContact O-N 3.37Å; L564-Q566 VanDerWaalsContact C-N 3.28Å; L564-Q566 PolarHBondContact O-N 2.77Å; Q566-L568 VanDerWaalsContact C-N 3.29Å; Q566-L568 PolarHBondContact O-N 3Å; Q566-K569 WeakPolarHBondContact O-CA 3.37Å; Q566-K569 WeakPolarHBondContact O-CB 3.33Å; Q566-K569 PolarHBondContact O-N 3.28Å; Q566-D570 PolarHBondContact NE2-OD1 3.13Å; Q566-D570 VanDerWaalsContact O-CG 3.24Å; Q566-D570 PolarHBondContact O-N 2.99Å
567K96Very high94.6Very high46 Ų4662 Ų6220%0.231%0.307CS..Hα-helixtrans-61-36.6176.6-170.1177.9167.6-163.10112.6D462 A464 D465 Y468 A563 L564 I565 D570 K571D462-K567 IonicContact OD1-NZ 2.8Å; D462-K567 PolarHBondContact OD1-NZ 2.77Å; D462-K567 IonicContact OD2-NZ 3.54Å; D462-K567 PolarHBondContact OD2-NZ 3Å; A464-K567 HydrophobicContact CB-CB 3.98Å; A464-K567 HydrophobicContact CB-CD 3.66Å; A464-K567 HydrophobicContact CB-CG 3.65Å; D465-K567 WeakPolarHBondContact OD1-CE 3.44Å; D465-K567 IonicContact OD1-NZ 2.85Å; D465-K567 PolarHBondContact OD1-NZ 3.43Å; D465-K567 IonicContact OD2-NZ 3.63Å; Y468-K567 HydrophobicContact CE2-CG 3.85Å; A563-K567 PolarHBondContact O-N 3.21Å; L564-K567 WeakPolarHBondContact O-CB 3.05Å; L564-K567 PolarHBondContact O-N 2.91Å; I565-K567 PolarHBondContact O-N 3.04Å; K567-D570 PolarHBondContact O-N 3.19Å; K567-K571 PolarHBondContact O-N 3.39Å
568L96.9Very high94.4Very high0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-65.8-41.8172.1-68167.5000111.7F435 A464 F467 L503 L507 L564 I565 Q566 D570 K571 H572 V573 M575F435-L568 HydrophobicContact CZ-CD2 4.47Å; A464-L568 HydrophobicContact CB-CD2 3.65Å; A464-L568 HydrophobicContact CB-CG 3.84Å; F467-L568 HydrophobicContact CD2-CD2 3.77Å; F467-L568 HydrophobicContact CE2-CD2 3.55Å; L503-L568 HydrophobicContact CD1-CD1 4.05Å; L507-L568 HydrophobicContact CD2-CD1 4.4Å; L564-L568 HydrophobicContact CG-CD1 4.48Å; L564-L568 WeakPolarHBondContact O-CG 3.45Å; L564-L568 PolarHBondContact O-N 3.28Å; I565-L568 WeakPolarHBondContact O-CB 3.46Å; I565-L568 PolarHBondContact O-N 2.93Å; Q566-L568 VanDerWaalsContact C-N 3.29Å; Q566-L568 PolarHBondContact O-N 3Å; L568-D570 VanDerWaalsContact C-N 3.33Å; L568-D570 PolarHBondContact O-N 3.04Å; L568-K571 CarbonylContact O-C 3.54Å; L568-K571 PolarHBondContact O-N 2.85Å; L568-H572 PolarHBondContact O-N 2.83Å; L568-V573 HydrophobicContact CB-CB 4.17Å; L568-V573 HydrophobicContact CB-CG2 4.22Å; L568-V573 HydrophobicContact CD2-CG2 4.04Å; L568-V573 WeakPolarHBondContact O-CB 3Å; L568-V573 WeakPolarHBondContact O-CG2 3.36Å; L568-V573 PolarHBondContact O-N 3.44Å; L568-V573 VanDerWaalsContact O-N 3.11Å; L568-M575 HydrophobicContact CB-CE 3.51Å
569K96.5Very high93.7Very high48 Ų4859.5 Ų59.521%0.20930%0.298CS..Hα-helixtrans-60.9-41.5175.1-70.3-175.2-175.7-171.20112D528 I565 Q566 K571 H572 M575D528-K569 IonicContact OD1-NZ 2.69Å; D528-K569 PolarHBondContact OD1-NZ 3.34Å; D528-K569 IonicContact OD2-NZ 3.56Å; D528-K569 PolarHBondContact OD2-NZ 3.37Å; I565-K569 WeakPolarHBondContact O-CG 3.18Å; I565-K569 PolarHBondContact O-N 2.83Å; Q566-K569 WeakPolarHBondContact O-CA 3.37Å; Q566-K569 WeakPolarHBondContact O-CB 3.33Å; Q566-K569 PolarHBondContact O-N 3.28Å; K569-K571 PolarHBondContact O-N 3.23Å; K569-H572 WeakPolarHBondContact O-CA 3.42Å; K569-H572 PolarHBondContact O-N 3.42Å; K569-M575 HydrophobicContact CB-CE 4.3Å; K569-M575 HydrophobicContact CD-CG 4.43Å; K569-M575 HydrophobicContact CG-CE 3.53Å; K569-M575 HydrophobicContact CG-CG 3.77Å; K569-M575 HydrophobicContact CG-SD 4.22Å
570D96.8Very high92.6Very high91 Ų9159.7 Ų59.749%0.48730%0.302SS..Hα-helixtrans-62.6-23.9179.3-64.3-13000112.3Q566 K567 L568Q566-D570 PolarHBondContact NE2-OD1 3.13Å; Q566-D570 VanDerWaalsContact O-CG 3.24Å; Q566-D570 PolarHBondContact O-N 2.99Å; K567-D570 PolarHBondContact O-N 3.19Å; L568-D570 VanDerWaalsContact C-N 3.33Å; L568-D570 PolarHBondContact O-N 3.04Å
571K96.2Very high91.4Very high62 Ų6255 Ų5527%0.2728%0.276SS..THydrogen-bonded Turntrans-95.513.4171.7-75.1-64.4-175.2169.60114.9F467 Y468 K496 K567 L568 K569 V573F467-K571 HydrophobicContact CB-CB 3.77Å; F467-K571 HydrophobicContact CB-CG 3.94Å; F467-K571 WeakPolarHBondContact O-CD 3.19Å; F467-K571 WeakPolarHBondContact O-CE 3.28Å; Y468-K571 HydrophobicContact CD1-CD 4.43Å; Y468-K571 HydrophobicContact CD2-CD 4.28Å; Y468-K571 HydrophobicContact CD2-CG 3.78Å; Y468-K571 HydrophobicContact CE1-CD 4.22Å; Y468-K571 HydrophobicContact CE1-CG 4.21Å; Y468-K571 HydrophobicContact CE2-CB 4.48Å; Y468-K571 HydrophobicContact CE2-CD 4.06Å; Y468-K571 HydrophobicContact CE2-CG 3.26Å; Y468-K571 HydrophobicContact CG-CD 4.44Å; Y468-K571 HydrophobicContact CG-CG 4.42Å; Y468-K571 VanDerWaalsContact CZ-CG 3.49Å; K496-K571 WeakPolarHBondContact CD-O 3.41Å; K496-K571 VanDerWaalsContact CE-O 3.28Å; K496-K571 WeakPolarHBondContact CE-O 3.29Å; K496-K571 PolarHBondContact NZ-O 2.89Å; K567-K571 PolarHBondContact O-N 3.39Å; L568-K571 CarbonylContact O-C 3.54Å; L568-K571 PolarHBondContact O-N 2.85Å; K569-K571 PolarHBondContact O-N 3.23Å; K571-V573 PolarHBondContact O-N 3.39Å
572H96.5Very high89.8Confident156 Ų15658.8 Ų58.872%0.72230%0.3SS*.THydrogen-bonded Turntrans58.932.7177.8-49.5-61000113.4L568 K569 N574L568-H572 PolarHBondContact O-N 2.83Å; K569-H572 WeakPolarHBondContact O-CA 3.42Å; K569-H572 PolarHBondContact O-N 3.42Å; H572-N574 PolarHBondContact O-N 3.38Å
573V97.4Very high87.8Confident5 Ų559 Ų593%0.0332%0.315CS..  trans-66131.7166.51790000108M441 F467 K496 L568 K571 M575M441-V573 HydrophobicContact CE-CG1 4Å; F467-V573 HydrophobicContact CD1-CG2 4.05Å; F467-V573 HydrophobicContact CD2-CG2 3.86Å; F467-V573 HydrophobicContact CE1-CG2 3.92Å; F467-V573 HydrophobicContact CE2-CG2 3.74Å; F467-V573 HydrophobicContact CG-CG2 4.01Å; F467-V573 HydrophobicContact CZ-CG2 3.76Å; K496-V573 HydrophobicContact CG-CG2 4.26Å; L568-V573 HydrophobicContact CB-CB 4.17Å; L568-V573 HydrophobicContact CB-CG2 4.22Å; L568-V573 HydrophobicContact CD2-CG2 4.04Å; L568-V573 WeakPolarHBondContact O-CB 3Å; L568-V573 WeakPolarHBondContact O-CG2 3.36Å; L568-V573 PolarHBondContact O-N 3.44Å; L568-V573 VanDerWaalsContact O-N 3.11Å; K571-V573 PolarHBondContact O-N 3.39Å; V573-M575 HydrophobicContact CB-CE 3.96Å; V573-M575 HydrophobicContact CG1-CE 4.22Å; V573-M575 WeakPolarHBondContact O-CE 3.1Å; V573-M575 WeakPolarHBondContact O-CG 3.36Å; V573-M575 PolarHBondContact O-N 2.5Å
574N97.2Very high85.5Confident23 Ų2361.1 Ų61.112%0.12332%0.317CS..  trans-63.2130.5-17917361000111.1K496 N498 H572 I576K496-N574 WeakPolarHBondContact O-CB 3.19Å; K496-N574 PolarHBondContact O-N 3.08Å; N498-N574 WeakPolarHBondContact O-CB 3.32Å; N498-N574 PolarHBondContact O-ND2 3.35Å; H572-N574 PolarHBondContact O-N 3.38Å; N574-I576 PolarHBondContact ND2-O 2.81Å; N574-I576 PolarHBondContact OD1-N 2.97Å
575M97.2Very high83.3Confident17 Ų1761.8 Ų61.88%0.08432%0.321CS..  trans-111.811.4-177.6-61.6-56.6167.900112.8L503 T526 I527 L568 K569 V573L503-M575 HydrophobicContact CD2-CE 4.24Å; L503-M575 HydrophobicContact CD2-SD 3.5Å; L503-M575 VanDerWaalsContact CD2-SD 3.5Å; T526-M575 WeakPolarHBondContact CA-O 2.98Å; I527-M575 HydrophobicContact CB-CB 4.33Å; I527-M575 HydrophobicContact CB-SD 4.39Å; I527-M575 HydrophobicContact CD1-SD 4.09Å; I527-M575 HydrophobicContact CG2-CB 3.72Å; I527-M575 HydrophobicContact CG2-CG 3.93Å; I527-M575 HydrophobicContact CG2-SD 3.86Å; I527-M575 PolarHBondContact N-O 3.19Å; L568-M575 HydrophobicContact CB-CE 3.51Å; K569-M575 HydrophobicContact CB-CE 4.3Å; K569-M575 HydrophobicContact CD-CG 4.43Å; K569-M575 HydrophobicContact CG-CE 3.53Å; K569-M575 HydrophobicContact CG-CG 3.77Å; K569-M575 HydrophobicContact CG-SD 4.22Å; V573-M575 HydrophobicContact CB-CE 3.96Å; V573-M575 HydrophobicContact CG1-CE 4.22Å; V573-M575 WeakPolarHBondContact O-CE 3.1Å; V573-M575 WeakPolarHBondContact O-CG 3.36Å; V573-M575 PolarHBondContact O-N 2.5Å
576I96.2Very high81Confident92 Ų9271 Ų7147%0.47236%0.364SS..BIsolated β-bridgetrans-119.5138.3-169.6-54.1175.7000109.4L500 E525 T526 N574 K578L500-I576 PolarHBondContact N-O 3.23Å; E525-I576 CarbonylContact O-C 3.56Å; E525-I576 WeakPolarHBondContact O-CA 3.42Å; T526-I576 HydrophobicContact CG2-CG1 4.44Å; N574-I576 PolarHBondContact ND2-O 2.81Å; N574-I576 PolarHBondContact OD1-N 2.97Å; I576-K578 PolarHBondContact O-N 2.89Å
577Y94Very high78.9Confident15 Ų1567.1 Ų67.16%0.05935%0.349CS..  trans-66.4119.1169.6-179-112.9000109.7E501 A521 E522 E525 G579 I580 K581E501-Y577 WeakPolarHBondContact OE2-CD2 3.29Å; E501-Y577 VanDerWaalsContact OE2-CE2 3.32Å; E501-Y577 WeakPolarHBondContact OE2-CE2 3.39Å; A521-Y577 HydrophobicContact CB-CD2 3.66Å; A521-Y577 HydrophobicContact CB-CE2 4.34Å; A521-Y577 HydrophobicContact CB-CG 4.3Å; A521-Y577 WeakPolarHBondContact O-CB 3.35Å; E522-Y577 HydrophobicContact CB-CD1 4.36Å; E522-Y577 HydrophobicContact CB-CE1 3.85Å; E522-Y577 HydrophobicContact CB-CE2 4.36Å; E522-Y577 HydrophobicContact CG-CE1 3.83Å; E525-Y577 PolarHBondContact O-N 3.31Å; Y577-G579 WeakPolarHBondContact CE1-O 3.49Å; Y577-G579 WeakPolarHBondContact OH-CA 3.28Å; Y577-I580 PolarHBondContact OH-O 2.79Å; Y577-K581 HydrophobicContact CD1-CG 3.93Å; Y577-K581 HydrophobicContact CE1-CG 3.89Å
578K88.8Confident77.4Confident113 Ų11368.3 Ų68.349%0.49136%0.355SS..  trans-101.8-3.6177.3-65.9-177.1174.3178.20112.4D497 S499 I576D497-K578 WeakPolarHBondContact O-CD 3.27Å; D497-K578 WeakPolarHBondContact O-CE 3.48Å; D497-K578 PolarHBondContact O-NZ 2.77Å; D497-K578 IonicContact OD1-NZ 2.7Å; D497-K578 PolarHBondContact OD1-NZ 3.44Å; S499-K578 PolarHBondContact OG-N 2.93Å; I576-K578 PolarHBondContact O-N 2.89Å
579G76Confident76.1Confident25 Ų2573.5 Ų73.526%0.25839%0.388SS..SBendtrans-71.5167.2176.100000112.1Y577 K581Y577-G579 WeakPolarHBondContact CE1-O 3.49Å; Y577-G579 WeakPolarHBondContact OH-CA 3.28Å; G579-K581 PolarHBondContact O-N 3.28Å
580I66.7Low75.2Confident145 Ų14573.4 Ų73.474%0.74439%0.389SS*.PPolyproline II helixtrans-67.8127.1175-58.4172.2000107.7Y577Y577-I580 PolarHBondContact OH-O 2.79Å
581K65.7Low74.6Confident32 Ų3269 Ų6914%0.13937%0.365CS..PPolyproline II helixtrans-87.4137.3172.1-56.5-171.1-147.81490109.6E525 Y577 G579 S583 D584E525-K581 HydrophobicContact CG-CD 4.06Å; E525-K581 WeakPolarHBondContact OE1-CD 3.32Å; E525-K581 VanDerWaalsContact OE1-CE 3.3Å; E525-K581 WeakPolarHBondContact OE1-CE 3.1Å; E525-K581 IonicContact OE1-NZ 3.32Å; E525-K581 PolarHBondContact OE1-NZ 3.19Å; E525-K581 WeakPolarHBondContact OE2-CE 3.48Å; E525-K581 IonicContact OE2-NZ 3.67Å; E525-K581 PolarHBondContact OE2-NZ 3.42Å; Y577-K581 HydrophobicContact CD1-CG 3.93Å; Y577-K581 HydrophobicContact CE1-CG 3.89Å; G579-K581 PolarHBondContact O-N 3.28Å; K581-S583 PolarHBondContact O-N 2.88Å; K581-D584 HydrophobicContact CB-CB 4.1Å; K581-D584 WeakPolarHBondContact CD-OD2 3.33Å; K581-D584 WeakPolarHBondContact CE-OD2 3.44Å; K581-D584 IonicContact NZ-OD1 2.59Å; K581-D584 IonicContact NZ-OD2 2.84Å; K581-D584 PolarHBondContact NZ-OD2 3.37Å; K581-D584 PolarHBondContact O-N 2.89Å
582T55.9Low73.8Confident102 Ų10268.8 Ų68.863%0.62637%0.371SS*.THydrogen-bonded Turntrans-62-25.7172.8-47.50000111.5E522E522-T582 VanDerWaalsContact OE1-CB 3.29Å; E522-T582 WeakPolarHBondContact OE1-CB 3.45Å; E522-T582 PolarHBondContact OE1-N 3.27Å; E522-T582 PolarHBondContact OE1-OG1 2.74Å
583S50.9Low72.9Confident90 Ų9064.5 Ų64.563%0.62937%0.369SS*.THydrogen-bonded Turntrans-84.2-25.6-179.557.50000115.7K581 I585K581-S583 PolarHBondContact O-N 2.88Å; S583-I585 PolarHBondContact O-N 3.42Å
584D47.4Very low72.4Confident104 Ų10466.5 Ų66.556%0.55638%0.378SS*.SBendtrans-83.6-1.1-176.7-69.7-8.8000112.1K581 E586K581-D584 HydrophobicContact CB-CB 4.1Å; K581-D584 WeakPolarHBondContact CD-OD2 3.33Å; K581-D584 WeakPolarHBondContact CE-OD2 3.44Å; K581-D584 IonicContact NZ-OD1 2.59Å; K581-D584 IonicContact NZ-OD2 2.84Å; K581-D584 PolarHBondContact NZ-OD2 3.37Å; K581-D584 PolarHBondContact O-N 2.89Å; D584-E586 PolarHBondContact O-N 3.35Å; D584-E586 VanDerWaalsContact O-N 3.09Å
585I47.5Very low72.1Confident36 Ų3666.3 Ų66.319%0.18538%0.378CS..  trans-75.697.2169.5-62.4159000106.9S583 G587 A615 S616S583-I585 PolarHBondContact O-N 3.42Å; I585-G587 PolarHBondContact O-N 2.85Å; I585-A615 WeakPolarHBondContact CD1-O 3.39Å; I585-S616 VanDerWaalsContact CG2-C 3.44Å; I585-S616 WeakPolarHBondContact CG2-O 3.46Å
586E45.6Very low71.8Confident196 Ų19665.5 Ų65.592%0.91637%0.374SS*.  trans-65.466.9159.1-84.4-170.2165.500108.3D584D584-E586 PolarHBondContact O-N 3.35Å; D584-E586 VanDerWaalsContact O-N 3.09Å
587G52.1Low71.5Confident12 Ų1261.1 Ų61.112%0.12435%0.351CS..  trans-66.1139.3173.300000109I585 Q617I585-G587 PolarHBondContact O-N 2.85Å; G587-Q617 VanDerWaalsContact CA-C 3.44Å; G587-Q617 WeakPolarHBondContact CA-O 3.36Å
588H64.7Low71.3Confident70 Ų7060.7 Ų60.732%0.32435%0.349SS..  trans-56.7140.5173.1-172.9-107.3000110.3E590 F591 S592 L665H588-E590 IonicContact CE1-OE2 2.77Å; H588-E590 WeakPolarHBondContact ND1-CB 3.46Å; H588-E590 PolarHBondContact ND1-N 3.02Å; H588-E590 IonicContact ND1-OE2 2.87Å; H588-E590 PolarHBondContact O-N 3.37Å; H588-F591 HydrophobicContact CB-CD2 4.24Å; H588-F591 PolarHBondContact O-N 3.42Å; H588-S592 PolarHBondContact O-N 3.21Å; H588-L665 HydrophobicContact CB-CD1 3.8Å; H588-L665 HydrophobicContact CB-CD2 3.54Å; H588-L665 HydrophobicContact CB-CG 4.33Å; H588-L665 WeakPolarHBondContact CD2-CD2 3.47Å; H588-L665 WeakPolarHBondContact NE2-CD2 3.44Å
589P69.3Low71.3Confident109 Ų10955.7 Ų55.771%0.70833%0.329SS*.THydrogen-bonded Turntrans-53.9-20.6-177.3-27.634.6000114.6F591P589-F591 VanDerWaalsContact C-N 3.32Å
590E77.2Confident71.6Confident46 Ų4655.2 Ų55.222%0.21532%0.324CS..THydrogen-bonded Turntrans-74.6-19.7177.5-166154.4-151.600114.3H588 K594 W653 K661H588-E590 IonicContact CE1-OE2 2.77Å; H588-E590 WeakPolarHBondContact ND1-CB 3.46Å; H588-E590 PolarHBondContact ND1-N 3.02Å; H588-E590 IonicContact ND1-OE2 2.87Å; H588-E590 PolarHBondContact O-N 3.37Å; E590-K594 WeakPolarHBondContact O-CD 3.37Å; E590-K594 WeakPolarHBondContact O-CE 3.08Å; E590-K594 PolarHBondContact O-NZ 3.18Å; E590-W653 HydrophobicContact CG-CH2 4.07Å; E590-K661 VanDerWaalsContact CD-CE 3.41Å; E590-K661 WeakPolarHBondContact OE1-CE 3.49Å; E590-K661 IonicContact OE1-NZ 3.93Å; E590-K661 PolarHBondContact OE1-NZ 3.19Å; E590-K661 WeakPolarHBondContact OE2-CD 3.36Å; E590-K661 WeakPolarHBondContact OE2-CE 3.35Å; E590-K661 IonicContact OE2-NZ 3.28Å; E590-K661 PolarHBondContact OE2-NZ 3.27Å
591F83.7Confident72.2Confident0 Ų051.9 Ų51.90%030%0.304CS..THydrogen-bonded Turntrans-120.5-36.4-177.9-64.2-81.7000112.9H588 P589 G593 K594 I596 W613 L614 Q617 A619 W653 F658 K661 L665H588-F591 HydrophobicContact CB-CD2 4.24Å; H588-F591 PolarHBondContact O-N 3.42Å; P589-F591 VanDerWaalsContact C-N 3.32Å; F591-G593 PolarHBondContact O-N 3.46Å; F591-K594 WeakPolarHBondContact O-CB 3.43Å; F591-K594 PolarHBondContact O-N 3.22Å; F591-I596 HydrophobicContact CD1-CD1 3.8Å; F591-I596 HydrophobicContact CE1-CD1 4.46Å; F591-W613 HydrophobicContact CD1-CZ3 4.12Å; F591-W613 HydrophobicContact CD2-CH2 4.1Å; F591-W613 HydrophobicContact CD2-CZ3 4.28Å; F591-W613 HydrophobicContact CE1-CH2 4.26Å; F591-W613 AromaticContact CE1-CZ3 3.73Å; F591-W613 HydrophobicContact CE1-CZ3 3.73Å; F591-W613 AromaticContact CE2-CH2 3.64Å; F591-W613 HydrophobicContact CE2-CH2 3.64Å; F591-W613 AromaticContact CE2-CZ3 3.95Å; F591-W613 HydrophobicContact CE2-CZ3 3.95Å; F591-W613 HydrophobicContact CG-CZ3 4.37Å; F591-W613 AromaticContact CZ-CH2 3.72Å; F591-W613 HydrophobicContact CZ-CH2 3.72Å; F591-W613 AromaticContact CZ-CZ3 3.65Å; F591-W613 HydrophobicContact CZ-CZ3 3.65Å; F591-L614 HydrophobicContact CD1-CD2 3.47Å; F591-L614 VanDerWaalsContact CD1-CD2 3.47Å; F591-L614 HydrophobicContact CE1-CD2 3.6Å; F591-Q617 HydrophobicContact CB-CB 3.81Å; F591-Q617 HydrophobicContact CG-CB 4.23Å; F591-A619 HydrophobicContact CB-CB 4.45Å; F591-A619 WeakPolarHBondContact O-CA 3.17Å; F591-A619 WeakPolarHBondContact O-CB 3.15Å; F591-W653 HydrophobicContact CD1-CZ3 4.41Å; F591-W653 HydrophobicContact CE1-CH2 4.15Å; F591-W653 AromaticContact CE1-CZ3 3.58Å; F591-W653 HydrophobicContact CE1-CZ3 3.58Å; F591-W653 HydrophobicContact CZ-CH2 4.37Å; F591-W653 AromaticContact CZ-CZ3 3.93Å; F591-W653 HydrophobicContact CZ-CZ3 3.93Å; F591-F658 HydrophobicContact CE1-CD2 4.2Å; F591-F658 HydrophobicContact CE1-CE2 4.07Å; F591-F658 HydrophobicContact CZ-CD2 4.44Å; F591-F658 HydrophobicContact CZ-CE2 4.44Å; F591-K661 HydrophobicContact CE2-CB 4.32Å; F591-K661 HydrophobicContact CZ-CB 3.87Å; F591-L665 HydrophobicContact CD2-CD1 4.03Å; F591-L665 HydrophobicContact CE2-CD1 3.69Å
592S79.1Confident73.2Confident56 Ų5650.4 Ų50.439%0.39230%0.298SS..THydrogen-bonded Turntrans-58.2125.8-175.5-171.70000111.7H588 K594 Q617H588-S592 PolarHBondContact O-N 3.21Å; S592-K594 PolarHBondContact O-N 2.96Å; S592-Q617 WeakPolarHBondContact CA-O 3.36Å; S592-Q617 PolarHBondContact N-O 3.42Å
593G78.7Confident74.5Confident66 Ų6650.8 Ų50.868%0.6829%0.292SS*.THydrogen-bonded Turntrans77.9-7-179.400000115.7F591 G618F591-G593 PolarHBondContact O-N 3.46Å; G593-G618 PolarHBondContact N-O 3.07Å
594K87.4Confident75.9Confident47 Ų4751.1 Ų51.120%0.20428%0.283CS..  trans-79.3144.8178.1-67.4-166-176.2171.20112.1E590 F591 S592 I596 A619 K620 D630 V631E590-K594 WeakPolarHBondContact O-CD 3.37Å; E590-K594 WeakPolarHBondContact O-CE 3.08Å; E590-K594 PolarHBondContact O-NZ 3.18Å; F591-K594 WeakPolarHBondContact O-CB 3.43Å; F591-K594 PolarHBondContact O-N 3.22Å; S592-K594 PolarHBondContact O-N 2.96Å; K594-I596 HydrophobicContact CB-CD1 4.37Å; K594-I596 HydrophobicContact CB-CG1 4.17Å; K594-A619 CarbonylContact O-C 3.6Å; K594-A619 WeakPolarHBondContact O-CA 3.39Å; K594-K620 PolarHBondContact O-N 2.79Å; K594-D630 WeakPolarHBondContact CA-OD2 3.2Å; K594-D630 HydrophobicContact CB-CB 4.04Å; K594-D630 HydrophobicContact CD-CB 4.16Å; K594-D630 HydrophobicContact CG-CB 4.19Å; K594-V631 HydrophobicContact CD-CG2 4.25Å
595T89.4Confident77.6Confident20 Ų2047.6 Ų47.612%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-90.3113.7168.6-58.60000109.6K620 T622 N628 D630 V631T595-K620 CarbonylContact C-O 3.57Å; T595-K620 VanDerWaalsContact CA-O 3.3Å; T595-K620 WeakPolarHBondContact CA-O 3.36Å; T595-T622 HydrophobicContact CG2-CG2 3.81Å; T595-T622 WeakPolarHBondContact CG2-OG1 3.14Å; T595-N628 WeakPolarHBondContact CB-O 3.47Å; T595-N628 PolarHBondContact OG1-O 2.87Å; T595-D630 PolarHBondContact N-OD2 2.89Å; T595-D630 PolarHBondContact O-N 2.95Å; T595-V631 PolarHBondContact O-N 3.24Å
596I92Very high78.9Confident0 Ų047.7 Ų47.70%027%0.266CS..EExtended strand (participates in β ladder)trans-115.5137.7-174.6-59.2-179.6000110.2F591 K594 L614 A619 K620 V621 T622 V631 I633F591-I596 HydrophobicContact CD1-CD1 3.8Å; F591-I596 HydrophobicContact CE1-CD1 4.46Å; K594-I596 HydrophobicContact CB-CD1 4.37Å; K594-I596 HydrophobicContact CB-CG1 4.17Å; I596-L614 HydrophobicContact CB-CD1 4.43Å; I596-L614 HydrophobicContact CD1-CD2 3.74Å; I596-L614 HydrophobicContact CG2-CD1 3.84Å; I596-A619 HydrophobicContact CD1-CB 3.77Å; I596-A619 HydrophobicContact CG1-CB 4.24Å; I596-K620 PolarHBondContact N-O 3.06Å; I596-V621 WeakPolarHBondContact O-CA 3.36Å; I596-T622 PolarHBondContact O-N 2.75Å; I596-V631 WeakPolarHBondContact CA-O 3.42Å; I596-V631 HydrophobicContact CG1-CB 4.27Å; I596-I633 HydrophobicContact CG2-CD1 3.73Å; I596-I633 HydrophobicContact CG2-CG1 4.16Å
597V89.8Confident80.5Confident0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-118.3126.7174.9177.80000109.4T622 S624 V625 T629 V631 V632 I633 K641V597-T622 WeakPolarHBondContact CG2-OG1 3.43Å; V597-S624 WeakPolarHBondContact CG2-O 3.39Å; V597-V625 HydrophobicContact CB-CG2 4.24Å; V597-V625 HydrophobicContact CG1-CG2 3.89Å; V597-V625 HydrophobicContact CG2-CG2 4.3Å; V597-T629 HydrophobicContact CB-CG2 4.26Å; V597-T629 HydrophobicContact CG2-CG2 3.62Å; V597-V631 PolarHBondContact N-O 3.48Å; V597-V632 HydrophobicContact CB-CG2 4.24Å; V597-V632 CarbonylContact O-C 3.53Å; V597-V632 WeakPolarHBondContact O-CA 3.14Å; V597-I633 PolarHBondContact O-N 3.48Å; V597-K641 HydrophobicContact CG1-CD 4.35Å
598L89.8Confident81.4Confident5 Ų544.2 Ų44.23%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-95.4128.2173.3-66156.4000109.3L602 R607 A610 S611 L614 V621 I633L598-L602 HydrophobicContact CD2-CD1 3.99Å; L598-R607 PolarHBondContact O-NH2 3.42Å; L598-R607 VanDerWaalsContact O-NH2 3.1Å; L598-A610 HydrophobicContact CD1-CB 3.93Å; L598-A610 HydrophobicContact CD2-CB 3.95Å; L598-S611 WeakPolarHBondContact CD1-OG 3.49Å; L598-L614 HydrophobicContact CD1-CD1 4.04Å; L598-L614 HydrophobicContact CD2-CD1 4.14Å; L598-L614 HydrophobicContact CG-CD1 4.18Å; L598-V621 HydrophobicContact CD1-CG1 4.17Å; L598-I633 HydrophobicContact CD2-CB 3.78Å; L598-I633 HydrophobicContact CD2-CD1 3.87Å; L598-I633 HydrophobicContact CD2-CG1 4.43Å; L598-I633 HydrophobicContact CD2-CG2 3.92Å
599T87.7Confident82Confident9 Ų946 Ų466%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-140.3151.8178.8-169.10000111.9V632 I633 A634 G635 A638 K641T599-V632 HydrophobicContact CG2-CG1 3.55Å; T599-I633 PolarHBondContact N-O 3.34Å; T599-A634 HydrophobicContact CG2-CB 4.15Å; T599-A634 CarbonylContact O-C 3.44Å; T599-A634 WeakPolarHBondContact O-CA 3.44Å; T599-G635 PolarHBondContact O-N 3Å; T599-A638 HydrophobicContact CG2-CB 3.73Å; T599-A638 PolarHBondContact OG1-O 3.01Å; T599-K641 HydrophobicContact CG2-CB 4.16Å; T599-K641 WeakPolarHBondContact OG1-CB 3.34Å
600G83.1Confident82.7Confident15 Ų1540.8 Ų40.816%0.15522%0.221CC..SBendtrans75.9176.5-174.200000113.5E636G600-E636 CarbonylContact C-O 3.6Å; G600-E636 WeakPolarHBondContact CA-O 3.43Å
601K80.4Confident82.9Confident75 Ų7540.1 Ų40.133%0.32622%0.221SC..BIsolated β-bridgetrans-82.5123.2177.5179171.7165.8167.90110.3T225 G635 E636T225-K601 WeakPolarHBondContact O-CD 3.4Å; T225-K601 WeakPolarHBondContact O-CE 3.43Å; T225-K601 PolarHBondContact O-NZ 3.11Å; K601-G635 CarbonylContact O-C 3.39Å; K601-G635 VanDerWaalsContact O-CA 3.22Å; K601-G635 WeakPolarHBondContact O-CA 3.34Å; K601-E636 PolarHBondContact N-O 3.2Å; K601-E636 PolarHBondContact O-N 3.49Å
602L84.9Confident82.6Confident1 Ų146.5 Ų46.51%0.00525%0.249CC..  trans-95.2130.8173.1-61.5-178.5000108L598 M605 R607 A610 I633 E655L598-L602 HydrophobicContact CD2-CD1 3.99Å; L602-M605 WeakPolarHBondContact CB-O 3.39Å; L602-R607 HydrophobicContact CD1-CG 3.98Å; L602-R607 HydrophobicContact CG-CG 4.25Å; L602-A610 HydrophobicContact CD1-CB 4.05Å; L602-I633 HydrophobicContact CD2-CG2 4.36Å; L602-E655 VanDerWaalsContact C-OE1 3.29Å; L602-E655 VanDerWaalsContact CA-OE1 3.31Å; L602-E655 WeakPolarHBondContact CA-OE1 3.3Å; L602-E655 VanDerWaalsContact CB-OE1 3.27Å; L602-E655 WeakPolarHBondContact CB-OE1 3.45Å; L602-E655 HydrophobicContact CD2-CB 3.89Å; L602-E655 HydrophobicContact CD2-CG 4Å
603H83.3Confident82.9Confident110 Ų11046 Ų4651%0.50924%0.239SC..SBendtrans-99.1-24.5-177.1-67.8-78000113.8E636 E655H603-E636 IonicContact CD2-OE2 2.96Å; H603-E636 IonicContact CE1-OE2 2.7Å; H603-E636 PolarHBondContact CE1-OE2 2.91Å; H603-E636 VanDerWaalsContact CE1-OE2 3.28Å; H603-E636 IonicContact NE2-OE2 3.79Å; H603-E636 PolarHBondContact NE2-OE2 3.05Å; H603-E655 PolarHBondContact N-OE1 3.42Å; H603-E655 PolarHBondContact N-OE2 3.48Å
604Q81.4Confident83.2Confident96 Ų9642.9 Ų42.945%0.44921%0.206SC..SBendtrans-89.2-25.3-176.3-60.7-172.7-2.800112.4E655 V659Q604-E655 WeakPolarHBondContact CA-OE1 3.28Å; Q604-E655 HydrophobicContact CB-CG 4.38Å; Q604-E655 WeakPolarHBondContact CB-OE1 3.4Å; Q604-E655 HydrophobicContact CG-CG 4.33Å; Q604-E655 PolarHBondContact N-OE1 3.34Å; Q604-V659 HydrophobicContact CB-CG2 4.16Å; Q604-V659 VanDerWaalsContact OE1-CG1 3.29Å
605M82.3Confident82.8Confident30 Ų3042.8 Ų42.815%0.14821%0.214CC..SBendtrans-156.5161.2171.170.8-169.572.700111.2L602 E609 A610 F658 V659L602-M605 WeakPolarHBondContact CB-O 3.39Å; M605-E609 HydrophobicContact CB-CB 4.32Å; M605-A610 HydrophobicContact CG-CB 4.09Å; M605-A610 HydrophobicContact SD-CB 3.83Å; M605-F658 HydrophobicContact CE-CD1 4.43Å; M605-F658 HydrophobicContact CE-CE1 3.99Å; M605-F658 HydrophobicContact SD-CD1 4.49Å; M605-F658 HydrophobicContact SD-CE1 3.61Å; M605-F658 HydrophobicContact SD-CZ 4.35Å; M605-V659 HydrophobicContact CE-CG2 3.65Å
606T75.1Confident82.1Confident38 Ų3844.8 Ų44.823%0.23323%0.229CC..  trans-69.7154175.465.10000111.2N608 E609 A610T606-N608 PolarHBondContact O-N 3.48Å; T606-E609 WeakPolarHBondContact CB-OE2 3.44Å; T606-E609 WeakPolarHBondContact CG2-OE2 3.49Å; T606-E609 PolarHBondContact N-OE2 3.28Å; T606-E609 PolarHBondContact O-N 3.2Å; T606-E609 VanDerWaalsContact O-N 3.15Å; T606-E609 WeakPolarHBondContact OG1-CB 3.41Å; T606-E609 WeakPolarHBondContact OG1-CG 3.43Å; T606-E609 PolarHBondContact OG1-N 2.97Å; T606-E609 VanDerWaalsContact OG1-N 3.1Å; T606-E609 PolarHBondContact OG1-OE2 3.42Å; T606-A610 PolarHBondContact O-N 2.86Å
607R79.8Confident81.6Confident70 Ų7046.5 Ų46.526%0.26424%0.237SC..Hα-helixtrans-59.3-30.1174-7317568.8-166.34.3112.6D291 L598 L602 S611D291-R607 IonicContact OD2-CZ 2.81Å; D291-R607 VanDerWaalsContact OD2-CZ 3.28Å; D291-R607 IonicContact OD2-NH1 2.88Å; D291-R607 PolarHBondContact OD2-NH1 2.83Å; D291-R607 IonicContact OD2-NH2 3.28Å; D291-R607 PolarHBondContact OD2-NH2 2.98Å; L598-R607 PolarHBondContact O-NH2 3.42Å; L598-R607 VanDerWaalsContact O-NH2 3.1Å; L602-R607 HydrophobicContact CD1-CG 3.98Å; L602-R607 HydrophobicContact CG-CG 4.25Å; R607-S611 VanDerWaalsContact O-CB 3.27Å; R607-S611 WeakPolarHBondContact O-CB 3.44Å; R607-S611 PolarHBondContact O-N 2.85Å; R607-S611 PolarHBondContact O-OG 2.72Å
608N71Confident80.9Confident65 Ų6547.3 Ų47.335%0.34825%0.246SC..Hα-helixtrans-70.9-42.7176.1-80.5-33.4000112.1T77 T606 S611 K612T77-N608 WeakPolarHBondContact CG2-ND2 3.48Å; T606-N608 PolarHBondContact O-N 3.48Å; N608-S611 PolarHBondContact O-N 2.88Å; N608-K612 WeakPolarHBondContact O-CB 3.42Å; N608-K612 WeakPolarHBondContact O-CG 3.41Å; N608-K612 PolarHBondContact O-N 2.97Å
609E76.1Confident80.5Confident107 Ų10747.5 Ų47.550%0.525%0.248SC..Hα-helixtrans-62.3-46.9173.6-74162.9150.800110.8M605 T606 S611 K612 W613M605-E609 HydrophobicContact CB-CB 4.32Å; T606-E609 WeakPolarHBondContact CB-OE2 3.44Å; T606-E609 WeakPolarHBondContact CG2-OE2 3.49Å; T606-E609 PolarHBondContact N-OE2 3.28Å; T606-E609 PolarHBondContact O-N 3.2Å; T606-E609 VanDerWaalsContact O-N 3.15Å; T606-E609 WeakPolarHBondContact OG1-CB 3.41Å; T606-E609 WeakPolarHBondContact OG1-CG 3.43Å; T606-E609 PolarHBondContact OG1-N 2.97Å; T606-E609 VanDerWaalsContact OG1-N 3.1Å; T606-E609 PolarHBondContact OG1-OE2 3.42Å; E609-S611 VanDerWaalsContact C-N 3.34Å; E609-S611 PolarHBondContact O-N 3.41Å; E609-K612 PolarHBondContact O-N 2.63Å; E609-W613 VanDerWaalsContact O-CB 3.31Å; E609-W613 WeakPolarHBondContact O-CB 3.36Å; E609-W613 PolarHBondContact O-N 2.78Å
610A83.4Confident80.3Confident0 Ų053.7 Ų53.70%027%0.274CS..Hα-helixtrans-57.4-46.417400000111.4L598 L602 M605 T606 W613 L614 F658L598-A610 HydrophobicContact CD1-CB 3.93Å; L598-A610 HydrophobicContact CD2-CB 3.95Å; L602-A610 HydrophobicContact CD1-CB 4.05Å; M605-A610 HydrophobicContact CG-CB 4.09Å; M605-A610 HydrophobicContact SD-CB 3.83Å; T606-A610 PolarHBondContact O-N 2.86Å; A610-W613 PolarHBondContact O-N 3.29Å; A610-L614 VanDerWaalsContact O-CB 3.27Å; A610-L614 WeakPolarHBondContact O-CB 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.37Å; A610-L614 PolarHBondContact O-N 2.91Å; A610-F658 HydrophobicContact CB-CE1 3.79Å; A610-F658 HydrophobicContact CB-CZ 4.15Å
611S82Confident80.4Confident33 Ų3355.2 Ų55.223%0.23128%0.28CS..Hα-helixtrans-62.5-44.6178.4-620000112.6L598 R607 N608 E609 A615L598-S611 WeakPolarHBondContact CD1-OG 3.49Å; R607-S611 VanDerWaalsContact O-CB 3.27Å; R607-S611 WeakPolarHBondContact O-CB 3.44Å; R607-S611 PolarHBondContact O-N 2.85Å; R607-S611 PolarHBondContact O-OG 2.72Å; N608-S611 PolarHBondContact O-N 2.88Å; E609-S611 VanDerWaalsContact C-N 3.34Å; E609-S611 PolarHBondContact O-N 3.41Å; S611-A615 VanDerWaalsContact O-CB 3.27Å; S611-A615 WeakPolarHBondContact O-CB 3.19Å; S611-A615 PolarHBondContact O-N 3.32Å
612K77.4Confident80.6Confident133 Ų13353.6 Ų53.658%0.57828%0.276SS*.Hα-helixtrans-63.7-44.6177.2-77177.4-178.4173.70110.8N608 E609 A615 S616N608-K612 WeakPolarHBondContact O-CB 3.42Å; N608-K612 WeakPolarHBondContact O-CG 3.41Å; N608-K612 PolarHBondContact O-N 2.97Å; E609-K612 PolarHBondContact O-N 2.63Å; K612-A615 PolarHBondContact O-N 3.39Å; K612-S616 WeakPolarHBondContact O-CB 3.33Å; K612-S616 PolarHBondContact O-N 3.21Å
613W84.8Confident80.3Confident46 Ų4656.2 Ų56.217%0.17430%0.295CS..Hα-helixtrans-63-48.7177.6-174.291.7000110.9F591 E609 A610 A615 S616 Q617 F658 Q662 L665F591-W613 HydrophobicContact CD1-CZ3 4.12Å; F591-W613 HydrophobicContact CD2-CH2 4.1Å; F591-W613 HydrophobicContact CD2-CZ3 4.28Å; F591-W613 HydrophobicContact CE1-CH2 4.26Å; F591-W613 AromaticContact CE1-CZ3 3.73Å; F591-W613 HydrophobicContact CE1-CZ3 3.73Å; F591-W613 AromaticContact CE2-CH2 3.64Å; F591-W613 HydrophobicContact CE2-CH2 3.64Å; F591-W613 AromaticContact CE2-CZ3 3.95Å; F591-W613 HydrophobicContact CE2-CZ3 3.95Å; F591-W613 HydrophobicContact CG-CZ3 4.37Å; F591-W613 AromaticContact CZ-CH2 3.72Å; F591-W613 HydrophobicContact CZ-CH2 3.72Å; F591-W613 AromaticContact CZ-CZ3 3.65Å; F591-W613 HydrophobicContact CZ-CZ3 3.65Å; E609-W613 VanDerWaalsContact O-CB 3.31Å; E609-W613 WeakPolarHBondContact O-CB 3.36Å; E609-W613 PolarHBondContact O-N 2.78Å; A610-W613 PolarHBondContact O-N 3.29Å; W613-A615 PolarHBondContact O-N 3.46Å; W613-S616 WeakPolarHBondContact CA-OG 3.12Å; W613-S616 CarbonylContact O-C 3.41Å; W613-S616 WeakPolarHBondContact O-CA 3.3Å; W613-S616 WeakPolarHBondContact O-CB 3.42Å; W613-S616 PolarHBondContact O-N 3.32Å; W613-S616 PolarHBondContact O-OG 3.07Å; W613-Q617 HydrophobicContact CD2-CG 3.98Å; W613-Q617 HydrophobicContact CE3-CG 3.93Å; W613-Q617 HydrophobicContact CH2-CG 3.67Å; W613-Q617 HydrophobicContact CZ2-CG 3.71Å; W613-Q617 HydrophobicContact CZ3-CB 4.47Å; W613-Q617 HydrophobicContact CZ3-CG 3.77Å; W613-Q617 WeakPolarHBondContact O-CG 3.34Å; W613-Q617 PolarHBondContact O-N 3.4Å; W613-F658 AromaticContact CE3-CE2 3.73Å; W613-F658 HydrophobicContact CE3-CE2 3.73Å; W613-F658 AromaticContact CE3-CZ 3.78Å; W613-F658 HydrophobicContact CE3-CZ 3.78Å; W613-F658 AromaticContact CZ3-CE2 3.59Å; W613-F658 HydrophobicContact CZ3-CE2 3.59Å; W613-F658 HydrophobicContact CZ3-CZ 4.13Å; W613-Q662 HydrophobicContact CD2-CG 4.06Å; W613-Q662 HydrophobicContact CE3-CG 4.06Å; W613-Q662 HydrophobicContact CH2-CB 4.3Å; W613-Q662 HydrophobicContact CH2-CG 3.62Å; W613-Q662 HydrophobicContact CZ2-CB 3.99Å; W613-Q662 HydrophobicContact CZ2-CG 3.61Å; W613-Q662 HydrophobicContact CZ3-CG 3.86Å; W613-L665 HydrophobicContact CH2-CD1 3.62Å; W613-L665 HydrophobicContact CZ2-CD1 3.77Å
614L86.2Confident80.1Confident0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-58.7-45.7176.5-74.6171.3000112.2F591 I596 L598 A610 S616 Q617 G618 A619 V621 I633 F658F591-L614 HydrophobicContact CD1-CD2 3.47Å; F591-L614 VanDerWaalsContact CD1-CD2 3.47Å; F591-L614 HydrophobicContact CE1-CD2 3.6Å; I596-L614 HydrophobicContact CB-CD1 4.43Å; I596-L614 HydrophobicContact CD1-CD2 3.74Å; I596-L614 HydrophobicContact CG2-CD1 3.84Å; L598-L614 HydrophobicContact CD1-CD1 4.04Å; L598-L614 HydrophobicContact CD2-CD1 4.14Å; L598-L614 HydrophobicContact CG-CD1 4.18Å; A610-L614 VanDerWaalsContact O-CB 3.27Å; A610-L614 WeakPolarHBondContact O-CB 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.37Å; A610-L614 PolarHBondContact O-N 2.91Å; L614-S616 VanDerWaalsContact C-N 3.29Å; L614-S616 PolarHBondContact O-N 3.09Å; L614-Q617 CarbonylContact O-C 3.52Å; L614-Q617 WeakPolarHBondContact O-CA 3.3Å; L614-Q617 PolarHBondContact O-N 3.29Å; L614-G618 PolarHBondContact O-N 2.75Å; L614-A619 HydrophobicContact CB-CB 4.18Å; L614-A619 WeakPolarHBondContact O-CB 3.35Å; L614-A619 PolarHBondContact O-N 3.26Å; L614-V621 HydrophobicContact CB-CG2 3.55Å; L614-V621 HydrophobicContact CD1-CG2 4.04Å; L614-V621 HydrophobicContact CG-CG2 4.48Å; L614-I633 HydrophobicContact CD1-CD1 4.02Å; L614-I633 HydrophobicContact CD2-CD1 4.39Å; L614-F658 HydrophobicContact CD1-CZ 4.44Å; L614-F658 HydrophobicContact CD2-CD2 4.5Å; L614-F658 HydrophobicContact CD2-CE2 3.59Å; L614-F658 HydrophobicContact CD2-CZ 4.13Å; L614-F658 HydrophobicContact CG-CE2 4.01Å; L614-F658 HydrophobicContact CG-CZ 4.03Å
615A79.5Confident80.2Confident46 Ų4648.3 Ų48.338%0.3826%0.262SS..Hα-helixtrans-61-40.5174.800000111I585 S611 K612 W613 Q617 G618I585-A615 WeakPolarHBondContact CD1-O 3.39Å; S611-A615 VanDerWaalsContact O-CB 3.27Å; S611-A615 WeakPolarHBondContact O-CB 3.19Å; S611-A615 PolarHBondContact O-N 3.32Å; K612-A615 PolarHBondContact O-N 3.39Å; W613-A615 PolarHBondContact O-N 3.46Å; A615-Q617 PolarHBondContact O-N 2.94Å; A615-G618 PolarHBondContact O-N 3.47Å
616S73.9Confident80.3Confident61 Ų6149.9 Ų49.943%0.42727%0.274SS..Hα-helixtrans-68.6-10.1173.8810000114.4I585 K612 W613 L614I585-S616 VanDerWaalsContact CG2-C 3.44Å; I585-S616 WeakPolarHBondContact CG2-O 3.46Å; K612-S616 WeakPolarHBondContact O-CB 3.33Å; K612-S616 PolarHBondContact O-N 3.21Å; W613-S616 WeakPolarHBondContact CA-OG 3.12Å; W613-S616 CarbonylContact O-C 3.41Å; W613-S616 WeakPolarHBondContact O-CA 3.3Å; W613-S616 WeakPolarHBondContact O-CB 3.42Å; W613-S616 PolarHBondContact O-N 3.32Å; W613-S616 PolarHBondContact O-OG 3.07Å; L614-S616 VanDerWaalsContact C-N 3.29Å; L614-S616 PolarHBondContact O-N 3.09Å
617Q81.6Confident80.6Confident37 Ų3756.8 Ų56.817%0.17330%0.301CS..THydrogen-bonded Turntrans-104.814.6170.9-62.2-60-4600112.2G587 F591 S592 W613 L614 A615 A619G587-Q617 VanDerWaalsContact CA-C 3.44Å; G587-Q617 WeakPolarHBondContact CA-O 3.36Å; F591-Q617 HydrophobicContact CB-CB 3.81Å; F591-Q617 HydrophobicContact CG-CB 4.23Å; S592-Q617 WeakPolarHBondContact CA-O 3.36Å; S592-Q617 PolarHBondContact N-O 3.42Å; W613-Q617 HydrophobicContact CD2-CG 3.98Å; W613-Q617 HydrophobicContact CE3-CG 3.93Å; W613-Q617 HydrophobicContact CH2-CG 3.67Å; W613-Q617 HydrophobicContact CZ2-CG 3.71Å; W613-Q617 HydrophobicContact CZ3-CB 4.47Å; W613-Q617 HydrophobicContact CZ3-CG 3.77Å; W613-Q617 WeakPolarHBondContact O-CG 3.34Å; W613-Q617 PolarHBondContact O-N 3.4Å; L614-Q617 CarbonylContact O-C 3.52Å; L614-Q617 WeakPolarHBondContact O-CA 3.3Å; L614-Q617 PolarHBondContact O-N 3.29Å; A615-Q617 PolarHBondContact O-N 2.94Å; Q617-A619 VanDerWaalsContact C-N 3.32Å; Q617-A619 PolarHBondContact O-N 2.93Å
618G74.2Confident80.9Confident17 Ų1759.4 Ų59.418%0.17532%0.32CS..THydrogen-bonded Turntrans80.710.6172.500000114G593 L614 A615G593-G618 PolarHBondContact N-O 3.07Å; L614-G618 PolarHBondContact O-N 2.75Å; A615-G618 PolarHBondContact O-N 3.47Å
619A82.4Confident81.8Confident9 Ų956.6 Ų56.67%0.07431%0.305CS..  trans-82142.9176.600000111.5F591 K594 I596 L614 Q617 V621F591-A619 HydrophobicContact CB-CB 4.45Å; F591-A619 WeakPolarHBondContact O-CA 3.17Å; F591-A619 WeakPolarHBondContact O-CB 3.15Å; K594-A619 CarbonylContact O-C 3.6Å; K594-A619 WeakPolarHBondContact O-CA 3.39Å; I596-A619 HydrophobicContact CD1-CB 3.77Å; I596-A619 HydrophobicContact CG1-CB 4.24Å; L614-A619 HydrophobicContact CB-CB 4.18Å; L614-A619 WeakPolarHBondContact O-CB 3.35Å; L614-A619 PolarHBondContact O-N 3.26Å; Q617-A619 VanDerWaalsContact C-N 3.32Å; Q617-A619 PolarHBondContact O-N 2.93Å; A619-V621 PolarHBondContact O-N 2.8Å
620K84.1Confident82.5Confident138 Ų13855 Ų5560%0.630%0.3SS*.EExtended strand (participates in β ladder)trans-8696.5169.7-174.4-178.1179.7176.90109.4K594 T595 I596 T622K594-K620 PolarHBondContact O-N 2.79Å; T595-K620 CarbonylContact C-O 3.57Å; T595-K620 VanDerWaalsContact CA-O 3.3Å; T595-K620 WeakPolarHBondContact CA-O 3.36Å; I596-K620 PolarHBondContact N-O 3.06Å; K620-T622 HydrophobicContact CD-CG2 4.43Å; K620-T622 HydrophobicContact CG-CG2 4.06Å
621V85.4Confident83Confident48 Ų4855 Ų5529%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-76.7126.3176.7-171.70000110I596 L598 L614 A619I596-V621 WeakPolarHBondContact O-CA 3.36Å; L598-V621 HydrophobicContact CD1-CG1 4.17Å; L614-V621 HydrophobicContact CB-CG2 3.55Å; L614-V621 HydrophobicContact CD1-CG2 4.04Å; L614-V621 HydrophobicContact CG-CG2 4.48Å; A619-V621 PolarHBondContact O-N 2.8Å
622T83.2Confident83.5Confident40 Ų4053.5 Ų53.525%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-129.1154.3-179.160.70000111.2T595 I596 V597 K620T595-T622 HydrophobicContact CG2-CG2 3.81Å; T595-T622 WeakPolarHBondContact CG2-OG1 3.14Å; I596-T622 PolarHBondContact O-N 2.75Å; V597-T622 WeakPolarHBondContact CG2-OG1 3.43Å; K620-T622 HydrophobicContact CD-CG2 4.43Å; K620-T622 HydrophobicContact CG-CG2 4.06Å
623S79.8Confident84.3Confident57 Ų5747.1 Ų47.140%0.39926%0.262SS..SBendtrans-83.7-15.8-17755.60000114K641S623-K641 WeakPolarHBondContact O-CE 3.48Å; S623-K641 PolarHBondContact O-NZ 2.95Å
624S77.9Confident84.6Confident36 Ų3645.6 Ų45.625%0.25226%0.259SS..SBendtrans-130134.3-167.8-48.10000111E292 V597 T626E292-S624 PolarHBondContact O-OG 3.47Å; V597-S624 WeakPolarHBondContact CG2-O 3.39Å; S624-T626 PolarHBondContact O-N 2.83Å
625V83.9Confident84.7Confident3 Ų346.4 Ų46.42%0.01827%0.267CS..  trans-74.1122.5174.6-1750000109.6V597 V632 K641 K644 A645 L648 I650V597-V625 HydrophobicContact CB-CG2 4.24Å; V597-V625 HydrophobicContact CG1-CG2 3.89Å; V597-V625 HydrophobicContact CG2-CG2 4.3Å; V625-V632 HydrophobicContact CG1-CG2 4.27Å; V625-V632 HydrophobicContact CG2-CG2 3.9Å; V625-K641 HydrophobicContact CG2-CB 3.96Å; V625-K641 HydrophobicContact CG2-CG 4.39Å; V625-K644 HydrophobicContact CB-CB 4.47Å; V625-K644 HydrophobicContact CB-CD 4.17Å; V625-K644 HydrophobicContact CB-CG 4.24Å; V625-K644 HydrophobicContact CG1-CG 4.33Å; V625-K644 WeakPolarHBondContact O-CE 3.38Å; V625-K644 PolarHBondContact O-NZ 2.77Å; V625-A645 HydrophobicContact CG1-CB 4.24Å; V625-L648 HydrophobicContact CG1-CD1 4.21Å; V625-I650 HydrophobicContact CG1-CD1 3.4Å
626T85.2Confident84.9Confident63 Ų6349.4 Ų49.439%0.38727%0.273SS..  trans-127.1173.4177.973.20000110.3S624 N628 T629 I650S624-T626 PolarHBondContact O-N 2.83Å; T626-N628 PolarHBondContact O-N 3.05Å; T626-N628 VanDerWaalsContact O-N 3.16Å; T626-N628 PolarHBondContact OG1-N 3.46Å; T626-T629 PolarHBondContact N-OG1 3.24Å; T626-T629 WeakPolarHBondContact O-CB 3.35Å; T626-T629 PolarHBondContact O-N 2.88Å; T626-T629 VanDerWaalsContact O-N 3.07Å; T626-T629 PolarHBondContact O-OG1 3.4Å; T626-T629 PolarHBondContact OG1-OG1 2.92Å; T626-I650 VanDerWaalsContact O-CD1 3.29Å; T626-I650 WeakPolarHBondContact O-CD1 3.22Å
627K81.5Confident85.1Confident183 Ų18351.4 Ų51.480%0.79628%0.279SS*.THydrogen-bonded Turntrans-62.4-17.6172.7-66.2-175.9179.2-178.40113.9L648K627-L648 HydrophobicContact CG-CD2 4.35Å
628N85Confident84.9Confident126 Ų12649.9 Ų49.967%0.67427%0.273SS*.THydrogen-bonded Turntrans-97.75.4178.7-60-13.4000111.9T595 T626T595-N628 WeakPolarHBondContact CB-O 3.47Å; T595-N628 PolarHBondContact OG1-O 2.87Å; T626-N628 PolarHBondContact O-N 3.05Å; T626-N628 VanDerWaalsContact O-N 3.16Å; T626-N628 PolarHBondContact OG1-N 3.46Å
629T89.5Confident85.2Confident6 Ų650.7 Ų50.74%0.03728%0.281CS..  trans-78.9125.6174.8-59.80000108.5V597 T626 V632 I650V597-T629 HydrophobicContact CB-CG2 4.26Å; V597-T629 HydrophobicContact CG2-CG2 3.62Å; T626-T629 PolarHBondContact N-OG1 3.24Å; T626-T629 WeakPolarHBondContact O-CB 3.35Å; T626-T629 PolarHBondContact O-N 2.88Å; T626-T629 VanDerWaalsContact O-N 3.07Å; T626-T629 PolarHBondContact O-OG1 3.4Å; T626-T629 PolarHBondContact OG1-OG1 2.92Å; T629-V632 HydrophobicContact CG2-CG2 3.93Å; T629-I650 HydrophobicContact CG2-CG2 4.13Å; T629-I650 WeakPolarHBondContact O-CG2 3.34Å
630D91.9Very high85.1Confident74 Ų7453 Ų5340%0.39630%0.296SS..  trans-85.5-44.7-178.8-61.4-74.2000111.2K594 T595K594-D630 WeakPolarHBondContact CA-OD2 3.2Å; K594-D630 HydrophobicContact CB-CB 4.04Å; K594-D630 HydrophobicContact CD-CB 4.16Å; K594-D630 HydrophobicContact CG-CB 4.19Å; T595-D630 PolarHBondContact N-OD2 2.89Å; T595-D630 PolarHBondContact O-N 2.95Å
631V93.1Very high85.1Confident0 Ų047 Ų470%027%0.27CS..EExtended strand (participates in β ladder)trans-137.4139.4-176.3-177.90000111K594 T595 I596 V597 I633 E651 W653K594-V631 HydrophobicContact CD-CG2 4.25Å; T595-V631 PolarHBondContact O-N 3.24Å; I596-V631 WeakPolarHBondContact CA-O 3.42Å; I596-V631 HydrophobicContact CG1-CB 4.27Å; V597-V631 PolarHBondContact N-O 3.48Å; V631-I633 HydrophobicContact CG1-CG1 4.33Å; V631-E651 CarbonylContact C-O 3.49Å; V631-E651 WeakPolarHBondContact CA-O 3.2Å; V631-E651 HydrophobicContact CG2-CB 4.4Å; V631-W653 HydrophobicContact CG1-CB 4.4Å; V631-W653 HydrophobicContact CG1-CD2 3.51Å; V631-W653 HydrophobicContact CG1-CE3 3.79Å; V631-W653 HydrophobicContact CG1-CG 3.8Å; V631-W653 HydrophobicContact CG1-CH2 4.48Å; V631-W653 HydrophobicContact CG1-CZ2 4.25Å; V631-W653 HydrophobicContact CG1-CZ3 4.26Å; V631-W653 HydrophobicContact CG2-CH2 4.38Å; V631-W653 HydrophobicContact CG2-CZ2 4.06Å
632V92.9Very high85.2Confident0 Ų046.8 Ų46.80%027%0.267CS..EExtended strand (participates in β ladder)trans-112.5119167.2179.80000109.4V597 T599 V625 T629 A645 I650 E651 I652 W653V597-V632 HydrophobicContact CB-CG2 4.24Å; V597-V632 CarbonylContact O-C 3.53Å; V597-V632 WeakPolarHBondContact O-CA 3.14Å; T599-V632 HydrophobicContact CG2-CG1 3.55Å; V625-V632 HydrophobicContact CG1-CG2 4.27Å; V625-V632 HydrophobicContact CG2-CG2 3.9Å; T629-V632 HydrophobicContact CG2-CG2 3.93Å; V632-A645 HydrophobicContact CB-CB 4.04Å; V632-A645 HydrophobicContact CG1-CB 4.34Å; V632-A645 HydrophobicContact CG2-CB 3.62Å; V632-I650 HydrophobicContact CG2-CG2 3.99Å; V632-E651 PolarHBondContact N-O 3.17Å; V632-I652 HydrophobicContact CB-CG1 4.44Å; V632-I652 CarbonylContact O-C 3.53Å; V632-I652 VanDerWaalsContact O-CA 3.29Å; V632-I652 WeakPolarHBondContact O-CA 3.32Å; V632-W653 PolarHBondContact O-N 2.88Å
633I93.3Very high85.2Confident0 Ų049 Ų490%028%0.281CS..EExtended strand (participates in β ladder)trans-91.1115.1172.6-62.7164.5000107.3I596 V597 L598 T599 L602 L614 V631 W653 F658I596-I633 HydrophobicContact CG2-CD1 3.73Å; I596-I633 HydrophobicContact CG2-CG1 4.16Å; V597-I633 PolarHBondContact O-N 3.48Å; L598-I633 HydrophobicContact CD2-CB 3.78Å; L598-I633 HydrophobicContact CD2-CD1 3.87Å; L598-I633 HydrophobicContact CD2-CG1 4.43Å; L598-I633 HydrophobicContact CD2-CG2 3.92Å; T599-I633 PolarHBondContact N-O 3.34Å; L602-I633 HydrophobicContact CD2-CG2 4.36Å; L614-I633 HydrophobicContact CD1-CD1 4.02Å; L614-I633 HydrophobicContact CD2-CD1 4.39Å; V631-I633 HydrophobicContact CG1-CG1 4.33Å; I633-W653 CarbonylContact C-O 3.5Å; I633-W653 WeakPolarHBondContact CA-O 3.43Å; I633-W653 HydrophobicContact CD1-CE3 4.43Å; I633-W653 HydrophobicContact CG1-CB 4.28Å; I633-W653 HydrophobicContact CG1-CE3 4.15Å; I633-F658 HydrophobicContact CD1-CB 4.2Å; I633-F658 HydrophobicContact CD1-CD1 4.33Å; I633-F658 HydrophobicContact CD1-CD2 3.57Å; I633-F658 HydrophobicContact CD1-CE2 3.94Å; I633-F658 HydrophobicContact CD1-CG 3.77Å; I633-F658 HydrophobicContact CD1-CZ 4.45Å; I633-F658 HydrophobicContact CG1-CB 4.38Å; I633-F658 HydrophobicContact CG1-CG 4.47Å; I633-F658 HydrophobicContact CG2-CB 4.01Å; I633-F658 HydrophobicContact CG2-CD1 4.38Å; I633-F658 HydrophobicContact CG2-CG 4.28Å
634A91.4Very high85.4Confident14 Ų1450 Ų5012%0.11628%0.278CS..EExtended strand (participates in β ladder)trans-108.9114.9-174.600000111.1T599 A638 L642 I652 W653 E655T599-A634 HydrophobicContact CG2-CB 4.15Å; T599-A634 CarbonylContact O-C 3.44Å; T599-A634 WeakPolarHBondContact O-CA 3.44Å; A634-A638 HydrophobicContact CB-CB 3.87Å; A634-L642 HydrophobicContact CB-CD1 4.05Å; A634-I652 HydrophobicContact CB-CG2 4.04Å; A634-W653 PolarHBondContact N-O 3.35Å; A634-E655 PolarHBondContact O-N 3.28Å
635G88.1Confident85.9Confident16 Ų1648.3 Ų48.317%0.16527%0.266CS..  trans-83.7-167.8165.600000112.7T599 K601 A638T599-G635 PolarHBondContact O-N 3Å; K601-G635 CarbonylContact O-C 3.39Å; K601-G635 VanDerWaalsContact O-CA 3.22Å; K601-G635 WeakPolarHBondContact O-CA 3.34Å; G635-A638 WeakPolarHBondContact O-CB 3.44Å
636E84.2Confident86.2Confident110 Ų11053.7 Ų53.751%0.51429%0.291SS..BIsolated β-bridgetrans-62.7146.7173.4-168.7172.5-165.100110.6G600 K601 H603 A638G600-E636 CarbonylContact C-O 3.6Å; G600-E636 WeakPolarHBondContact CA-O 3.43Å; K601-E636 PolarHBondContact N-O 3.2Å; K601-E636 PolarHBondContact O-N 3.49Å; H603-E636 IonicContact CD2-OE2 2.96Å; H603-E636 IonicContact CE1-OE2 2.7Å; H603-E636 PolarHBondContact CE1-OE2 2.91Å; H603-E636 VanDerWaalsContact CE1-OE2 3.28Å; H603-E636 IonicContact NE2-OE2 3.79Å; H603-E636 PolarHBondContact NE2-OE2 3.05Å; E636-A638 PolarHBondContact O-N 3.42Å; E636-A638 VanDerWaalsContact O-N 3.17Å
637D79.1Confident86.3Confident102 Ų10255.1 Ų55.155%0.54530%0.304SS..THydrogen-bonded Turntrans5434.1179.8-74.8-7.3000115R230 G639R230-D637 IonicContact CZ-OD2 2.94Å; R230-D637 IonicContact NH2-OD2 2.75Å; R230-D637 PolarHBondContact NH2-OD2 2.57Å; D637-G639 PolarHBondContact O-N 2.99Å
638A76.7Confident86.6Confident6 Ų649.8 Ų49.85%0.0528%0.283CS..  trans-59.2-3.5-177.900000117.9T599 A634 G635 E636 L642T599-A638 HydrophobicContact CG2-CB 3.73Å; T599-A638 PolarHBondContact OG1-O 3.01Å; A634-A638 HydrophobicContact CB-CB 3.87Å; G635-A638 WeakPolarHBondContact O-CB 3.44Å; E636-A638 PolarHBondContact O-N 3.42Å; E636-A638 VanDerWaalsContact O-N 3.17Å; A638-L642 HydrophobicContact CB-CB 3.86Å; A638-L642 HydrophobicContact CB-CD2 4.1Å; A638-L642 PolarHBondContact O-N 3.34Å
639G80.6Confident86.8Confident33 Ų3347.1 Ų47.134%0.3429%0.286SS..Hα-helixtrans56.3-146162.700000116.5D637 K641 L642 T643D637-G639 PolarHBondContact O-N 2.99Å; G639-K641 VanDerWaalsContact C-N 3.32Å; G639-K641 PolarHBondContact O-N 3.19Å; G639-L642 PolarHBondContact O-N 3.14Å; G639-T643 PolarHBondContact O-N 3.23Å; G639-T643 PolarHBondContact O-OG1 3.08Å
640S81Confident86.8Confident57 Ų5747.8 Ų47.840%0.39929%0.289SS..Hα-helixtrans-64.1-31.2-172.863.80000113.8T643 K644S640-T643 PolarHBondContact O-N 3.42Å; S640-K644 WeakPolarHBondContact O-CB 3.5Å; S640-K644 PolarHBondContact O-N 2.89Å
641K83.4Confident86.9Confident12 Ų1249.2 Ų49.25%0.05229%0.293CS..Hα-helixtrans-66.3-38.3178.7-67.9176.6-174.1176.50111.4D291 V597 T599 S623 V625 G639 K644 A645D291-K641 PolarHBondContact O-NZ 3.06Å; D291-K641 VanDerWaalsContact O-NZ 3.17Å; D291-K641 IonicContact OD2-NZ 3.83Å; V597-K641 HydrophobicContact CG1-CD 4.35Å; T599-K641 HydrophobicContact CG2-CB 4.16Å; T599-K641 WeakPolarHBondContact OG1-CB 3.34Å; S623-K641 WeakPolarHBondContact O-CE 3.48Å; S623-K641 PolarHBondContact O-NZ 2.95Å; V625-K641 HydrophobicContact CG2-CB 3.96Å; V625-K641 HydrophobicContact CG2-CG 4.39Å; G639-K641 VanDerWaalsContact C-N 3.32Å; G639-K641 PolarHBondContact O-N 3.19Å; K641-K644 PolarHBondContact O-N 3.02Å; K641-A645 WeakPolarHBondContact O-CB 3.38Å; K641-A645 PolarHBondContact O-N 2.95Å
642L87.1Confident86.9Confident44 Ų4451.9 Ų51.923%0.2331%0.307CS..Hα-helixtrans-62.6-47.5173.117862.9000110.9A634 A638 G639 K644 A645 Q646 I652A634-L642 HydrophobicContact CB-CD1 4.05Å; A638-L642 HydrophobicContact CB-CB 3.86Å; A638-L642 HydrophobicContact CB-CD2 4.1Å; A638-L642 PolarHBondContact O-N 3.34Å; G639-L642 PolarHBondContact O-N 3.14Å; L642-K644 VanDerWaalsContact C-N 3.29Å; L642-K644 PolarHBondContact O-N 3.23Å; L642-A645 WeakPolarHBondContact O-CB 3.43Å; L642-A645 PolarHBondContact O-N 3.36Å; L642-Q646 VanDerWaalsContact O-CG 3.3Å; L642-Q646 WeakPolarHBondContact O-CG 3.28Å; L642-Q646 PolarHBondContact O-N 3.13Å; L642-I652 HydrophobicContact CD1-CD1 3.78Å; L642-I652 HydrophobicContact CD1-CG1 4.27Å; L642-I652 HydrophobicContact CD1-CG2 3.81Å
643T84Confident86.9Confident87 Ų8752.4 Ų52.453%0.53431%0.309SS..Hα-helixtrans-59.8-40.7176.5-49.90000111.7G639 S640 Q646 S647G639-T643 PolarHBondContact O-N 3.23Å; G639-T643 PolarHBondContact O-OG1 3.08Å; S640-T643 PolarHBondContact O-N 3.42Å; T643-Q646 PolarHBondContact O-N 2.96Å; T643-S647 WeakPolarHBondContact O-CB 3.48Å; T643-S647 PolarHBondContact O-N 3.04Å
644K84.2Confident86.9Confident78 Ų7855.8 Ų55.834%0.33933%0.33SS..Hα-helixtrans-65.1-43.4176.9-167.7169.7-175.3178.60111.7E292 V625 S640 K641 L642 S647 L648E292-K644 IonicContact OE1-NZ 3.89Å; V625-K644 HydrophobicContact CB-CB 4.47Å; V625-K644 HydrophobicContact CB-CD 4.17Å; V625-K644 HydrophobicContact CB-CG 4.24Å; V625-K644 HydrophobicContact CG1-CG 4.33Å; V625-K644 WeakPolarHBondContact O-CE 3.38Å; V625-K644 PolarHBondContact O-NZ 2.77Å; S640-K644 WeakPolarHBondContact O-CB 3.5Å; S640-K644 PolarHBondContact O-N 2.89Å; K641-K644 PolarHBondContact O-N 3.02Å; L642-K644 VanDerWaalsContact C-N 3.29Å; L642-K644 PolarHBondContact O-N 3.23Å; K644-S647 PolarHBondContact O-N 3.36Å; K644-S647 PolarHBondContact O-OG 3.38Å; K644-L648 HydrophobicContact CG-CD1 4.23Å; K644-L648 WeakPolarHBondContact O-CG 3.47Å; K644-L648 PolarHBondContact O-N 3.31Å; K644-L648 VanDerWaalsContact O-N 3.09Å
645A88.2Confident86.9Confident0 Ų056 Ų560%033%0.329CS..Hα-helixtrans-59.9-46.6175.600000111.8V625 V632 K641 L642 S647 L648 G649 I650 I652V625-A645 HydrophobicContact CG1-CB 4.24Å; V632-A645 HydrophobicContact CB-CB 4.04Å; V632-A645 HydrophobicContact CG1-CB 4.34Å; V632-A645 HydrophobicContact CG2-CB 3.62Å; K641-A645 WeakPolarHBondContact O-CB 3.38Å; K641-A645 PolarHBondContact O-N 2.95Å; L642-A645 WeakPolarHBondContact O-CB 3.43Å; L642-A645 PolarHBondContact O-N 3.36Å; A645-S647 VanDerWaalsContact C-N 3.34Å; A645-S647 PolarHBondContact O-N 3.25Å; A645-L648 PolarHBondContact O-N 3.09Å; A645-G649 PolarHBondContact O-N 3.24Å; A645-G649 VanDerWaalsContact O-N 3.08Å; A645-I650 HydrophobicContact CB-CB 4.38Å; A645-I650 PolarHBondContact O-N 3.46Å; A645-I652 HydrophobicContact CB-CD1 4.11Å; A645-I652 HydrophobicContact CB-CG1 4.04Å
646Q90Very high86.9Confident117 Ų11759.6 Ų59.655%0.54734%0.341SS..Hα-helixtrans-58.9-43.6175-70.4171.2-20.500111.8L642 T643 L648 G649 I652L642-Q646 VanDerWaalsContact O-CG 3.3Å; L642-Q646 WeakPolarHBondContact O-CG 3.28Å; L642-Q646 PolarHBondContact O-N 3.13Å; T643-Q646 PolarHBondContact O-N 2.96Å; Q646-L648 VanDerWaalsContact C-N 3.28Å; Q646-L648 PolarHBondContact O-N 3.17Å; Q646-G649 PolarHBondContact O-N 3.4Å; Q646-I652 HydrophobicContact CG-CD1 3.57Å
647S86.9Confident87.2Confident92 Ų9258.6 Ų58.664%0.64334%0.336SS*.Hα-helixtrans-66.6-28179.876.50000113.9T643 K644 A645T643-S647 WeakPolarHBondContact O-CB 3.48Å; T643-S647 PolarHBondContact O-N 3.04Å; K644-S647 PolarHBondContact O-N 3.36Å; K644-S647 PolarHBondContact O-OG 3.38Å; A645-S647 VanDerWaalsContact C-N 3.34Å; A645-S647 PolarHBondContact O-N 3.25Å
648L88.6Confident87.8Confident71 Ų7153.8 Ų53.837%0.37231%0.31SS..Hα-helixtrans-93.6-4.6179.9-67.7175.7000112.9V625 K627 K644 A645 Q646 I650V625-L648 HydrophobicContact CG1-CD1 4.21Å; K627-L648 HydrophobicContact CG-CD2 4.35Å; K644-L648 HydrophobicContact CG-CD1 4.23Å; K644-L648 WeakPolarHBondContact O-CG 3.47Å; K644-L648 PolarHBondContact O-N 3.31Å; K644-L648 VanDerWaalsContact O-N 3.09Å; A645-L648 PolarHBondContact O-N 3.09Å; Q646-L648 VanDerWaalsContact C-N 3.28Å; Q646-L648 PolarHBondContact O-N 3.17Å; L648-I650 VanDerWaalsContact C-N 3.3Å; L648-I650 HydrophobicContact CB-CD1 3.59Å; L648-I650 HydrophobicContact CB-CG1 3.85Å; L648-I650 HydrophobicContact CD1-CD1 3.77Å; L648-I650 HydrophobicContact CG-CD1 4.34Å
649G88Confident88.3Confident70 Ų7054.2 Ų54.272%0.72231%0.312SS*.THydrogen-bonded Turntrans67.628.8-177.500000113.6A645 Q646A645-G649 PolarHBondContact O-N 3.24Å; A645-G649 VanDerWaalsContact O-N 3.08Å; Q646-G649 PolarHBondContact O-N 3.4Å
650I90.9Very high88.6Confident21 Ų2156 Ų5611%0.10831%0.314CS..  trans-80.1146.9179.5-64162000109.3V625 T626 T629 V632 A645 L648V625-I650 HydrophobicContact CG1-CD1 3.4Å; T626-I650 VanDerWaalsContact O-CD1 3.29Å; T626-I650 WeakPolarHBondContact O-CD1 3.22Å; T629-I650 HydrophobicContact CG2-CG2 4.13Å; T629-I650 WeakPolarHBondContact O-CG2 3.34Å; V632-I650 HydrophobicContact CG2-CG2 3.99Å; A645-I650 HydrophobicContact CB-CB 4.38Å; A645-I650 PolarHBondContact O-N 3.46Å; L648-I650 VanDerWaalsContact C-N 3.3Å; L648-I650 HydrophobicContact CB-CD1 3.59Å; L648-I650 HydrophobicContact CB-CG1 3.85Å; L648-I650 HydrophobicContact CD1-CD1 3.77Å; L648-I650 HydrophobicContact CG-CD1 4.34Å
651E93.1Very high88.9Confident104 Ų10455.6 Ų55.649%0.48631%0.305SS..EExtended strand (participates in β ladder)trans-64.4134.3178.4-167.8176.117500110.9V631 V632 W653V631-E651 CarbonylContact C-O 3.49Å; V631-E651 WeakPolarHBondContact CA-O 3.2Å; V631-E651 HydrophobicContact CG2-CB 4.4Å; V632-E651 PolarHBondContact N-O 3.17Å; E651-W653 PolarHBondContact OE1-NE1 3.09Å
652I93.7Very high88.9Confident56 Ų5656 Ų5629%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-121.3124.4-177.8-62.9157.2000109V632 A634 L642 A645 Q646V632-I652 HydrophobicContact CB-CG1 4.44Å; V632-I652 CarbonylContact O-C 3.53Å; V632-I652 VanDerWaalsContact O-CA 3.29Å; V632-I652 WeakPolarHBondContact O-CA 3.32Å; A634-I652 HydrophobicContact CB-CG2 4.04Å; L642-I652 HydrophobicContact CD1-CD1 3.78Å; L642-I652 HydrophobicContact CD1-CG1 4.27Å; L642-I652 HydrophobicContact CD1-CG2 3.81Å; A645-I652 HydrophobicContact CB-CD1 4.11Å; A645-I652 HydrophobicContact CB-CG1 4.04Å; Q646-I652 HydrophobicContact CG-CD1 3.57Å
653W93.2Very high88.7Confident11 Ų1157.7 Ų57.74%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-107.5138172.7-64.6-9.1000110.1E590 F591 V631 V632 I633 A634 E651 Q657E590-W653 HydrophobicContact CG-CH2 4.07Å; F591-W653 HydrophobicContact CD1-CZ3 4.41Å; F591-W653 HydrophobicContact CE1-CH2 4.15Å; F591-W653 AromaticContact CE1-CZ3 3.58Å; F591-W653 HydrophobicContact CE1-CZ3 3.58Å; F591-W653 HydrophobicContact CZ-CH2 4.37Å; F591-W653 AromaticContact CZ-CZ3 3.93Å; F591-W653 HydrophobicContact CZ-CZ3 3.93Å; V631-W653 HydrophobicContact CG1-CB 4.4Å; V631-W653 HydrophobicContact CG1-CD2 3.51Å; V631-W653 HydrophobicContact CG1-CE3 3.79Å; V631-W653 HydrophobicContact CG1-CG 3.8Å; V631-W653 HydrophobicContact CG1-CH2 4.48Å; V631-W653 HydrophobicContact CG1-CZ2 4.25Å; V631-W653 HydrophobicContact CG1-CZ3 4.26Å; V631-W653 HydrophobicContact CG2-CH2 4.38Å; V631-W653 HydrophobicContact CG2-CZ2 4.06Å; V632-W653 PolarHBondContact O-N 2.88Å; I633-W653 CarbonylContact C-O 3.5Å; I633-W653 WeakPolarHBondContact CA-O 3.43Å; I633-W653 HydrophobicContact CD1-CE3 4.43Å; I633-W653 HydrophobicContact CG1-CB 4.28Å; I633-W653 HydrophobicContact CG1-CE3 4.15Å; A634-W653 PolarHBondContact N-O 3.35Å; E651-W653 PolarHBondContact OE1-NE1 3.09Å; W653-Q657 HydrophobicContact CB-CB 4.22Å
654T92Very high88.4Confident71 Ų7159.1 Ų59.144%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-70.5159163.8590000110Q656 Q657 F658T654-Q656 PolarHBondContact O-N 3.31Å; T654-Q657 PolarHBondContact O-N 3.13Å; T654-Q657 VanDerWaalsContact O-N 3.15Å; T654-Q657 VanDerWaalsContact OG1-CG 3.31Å; T654-Q657 WeakPolarHBondContact OG1-CG 3.46Å; T654-Q657 PolarHBondContact OG1-N 3.46Å; T654-Q657 PolarHBondContact OG1-OE1 3.43Å; T654-F658 PolarHBondContact O-N 2.95Å
655E91.2Very high87.7Confident19 Ų1957.6 Ų57.69%0.08931%0.313CS..Hα-helixtrans-51.3-44.3170.7177.9171.6-146.200112.1L602 H603 Q604 A634 Q657 F658 V659L602-E655 VanDerWaalsContact C-OE1 3.29Å; L602-E655 VanDerWaalsContact CA-OE1 3.31Å; L602-E655 WeakPolarHBondContact CA-OE1 3.3Å; L602-E655 VanDerWaalsContact CB-OE1 3.27Å; L602-E655 WeakPolarHBondContact CB-OE1 3.45Å; L602-E655 HydrophobicContact CD2-CB 3.89Å; L602-E655 HydrophobicContact CD2-CG 4Å; H603-E655 PolarHBondContact N-OE1 3.42Å; H603-E655 PolarHBondContact N-OE2 3.48Å; Q604-E655 WeakPolarHBondContact CA-OE1 3.28Å; Q604-E655 HydrophobicContact CB-CG 4.38Å; Q604-E655 WeakPolarHBondContact CB-OE1 3.4Å; Q604-E655 HydrophobicContact CG-CG 4.33Å; Q604-E655 PolarHBondContact N-OE1 3.34Å; A634-E655 PolarHBondContact O-N 3.28Å; E655-Q657 PolarHBondContact O-N 2.87Å; E655-F658 WeakPolarHBondContact O-CB 3.24Å; E655-F658 PolarHBondContact O-N 3.2Å; E655-F658 VanDerWaalsContact O-N 3.13Å; E655-V659 HydrophobicContact CG-CG2 4.47Å; E655-V659 WeakPolarHBondContact O-CG2 3.44Å; E655-V659 PolarHBondContact O-N 3.26Å
656Q89.2Confident86.3Confident90 Ų9063.5 Ų63.542%0.42134%0.344SS..Hα-helixtrans-61.3-42.9179.2-172.361.153.700112T654 F658 V659 D660T654-Q656 PolarHBondContact O-N 3.31Å; Q656-F658 VanDerWaalsContact C-N 3.31Å; Q656-F658 PolarHBondContact O-N 3.08Å; Q656-V659 PolarHBondContact O-N 3.43Å; Q656-D660 PolarHBondContact NE2-OD1 2.92Å; Q656-D660 WeakPolarHBondContact O-CB 3.41Å; Q656-D660 PolarHBondContact O-N 3.39Å
657Q89.9Confident84Confident90 Ų9065.3 Ų65.342%0.42137%0.369SS..Hα-helixtrans-62.4-39.9175.7-75.2168.3-56.400111.7W653 T654 E655 D660 K661W653-Q657 HydrophobicContact CB-CB 4.22Å; T654-Q657 PolarHBondContact O-N 3.13Å; T654-Q657 VanDerWaalsContact O-N 3.15Å; T654-Q657 VanDerWaalsContact OG1-CG 3.31Å; T654-Q657 WeakPolarHBondContact OG1-CG 3.46Å; T654-Q657 PolarHBondContact OG1-N 3.46Å; T654-Q657 PolarHBondContact OG1-OE1 3.43Å; E655-Q657 PolarHBondContact O-N 2.87Å; Q657-D660 PolarHBondContact O-N 3.36Å; Q657-K661 VanDerWaalsContact O-CG 3.27Å; Q657-K661 WeakPolarHBondContact O-CG 3.46Å; Q657-K661 PolarHBondContact O-N 2.95Å
658F91.9Very high83.9Confident0 Ų064 Ų640%036%0.356CS..Hα-helixtrans-62.3-44.5175.1170.3-123.4000111.7F591 M605 A610 W613 L614 I633 T654 E655 Q656 K661 Q662F591-F658 HydrophobicContact CE1-CD2 4.2Å; F591-F658 HydrophobicContact CE1-CE2 4.07Å; F591-F658 HydrophobicContact CZ-CD2 4.44Å; F591-F658 HydrophobicContact CZ-CE2 4.44Å; M605-F658 HydrophobicContact CE-CD1 4.43Å; M605-F658 HydrophobicContact CE-CE1 3.99Å; M605-F658 HydrophobicContact SD-CD1 4.49Å; M605-F658 HydrophobicContact SD-CE1 3.61Å; M605-F658 HydrophobicContact SD-CZ 4.35Å; A610-F658 HydrophobicContact CB-CE1 3.79Å; A610-F658 HydrophobicContact CB-CZ 4.15Å; W613-F658 AromaticContact CE3-CE2 3.73Å; W613-F658 HydrophobicContact CE3-CE2 3.73Å; W613-F658 AromaticContact CE3-CZ 3.78Å; W613-F658 HydrophobicContact CE3-CZ 3.78Å; W613-F658 AromaticContact CZ3-CE2 3.59Å; W613-F658 HydrophobicContact CZ3-CE2 3.59Å; W613-F658 HydrophobicContact CZ3-CZ 4.13Å; L614-F658 HydrophobicContact CD1-CZ 4.44Å; L614-F658 HydrophobicContact CD2-CD2 4.5Å; L614-F658 HydrophobicContact CD2-CE2 3.59Å; L614-F658 HydrophobicContact CD2-CZ 4.13Å; L614-F658 HydrophobicContact CG-CE2 4.01Å; L614-F658 HydrophobicContact CG-CZ 4.03Å; I633-F658 HydrophobicContact CD1-CB 4.2Å; I633-F658 HydrophobicContact CD1-CD1 4.33Å; I633-F658 HydrophobicContact CD1-CD2 3.57Å; I633-F658 HydrophobicContact CD1-CE2 3.94Å; I633-F658 HydrophobicContact CD1-CG 3.77Å; I633-F658 HydrophobicContact CD1-CZ 4.45Å; I633-F658 HydrophobicContact CG1-CB 4.38Å; I633-F658 HydrophobicContact CG1-CG 4.47Å; I633-F658 HydrophobicContact CG2-CB 4.01Å; I633-F658 HydrophobicContact CG2-CD1 4.38Å; I633-F658 HydrophobicContact CG2-CG 4.28Å; T654-F658 PolarHBondContact O-N 2.95Å; E655-F658 WeakPolarHBondContact O-CB 3.24Å; E655-F658 PolarHBondContact O-N 3.2Å; E655-F658 VanDerWaalsContact O-N 3.13Å; Q656-F658 VanDerWaalsContact C-N 3.31Å; Q656-F658 PolarHBondContact O-N 3.08Å; F658-K661 WeakPolarHBondContact O-CB 3.47Å; F658-K661 PolarHBondContact O-N 2.86Å; F658-Q662 HydrophobicContact CD2-CG 4.43Å; F658-Q662 HydrophobicContact CE2-CG 4.07Å; F658-Q662 HydrophobicContact CZ-CG 4.15Å; F658-Q662 WeakPolarHBondContact O-CG 3.4Å; F658-Q662 PolarHBondContact O-N 3.46Å
659V87.5Confident83.6Confident15 Ų1563.6 Ų63.69%0.09136%0.355CS..Hα-helixtrans-68.9-38.2178.11740000112.5Q604 M605 E655 Q656 K661 Q662 N663Q604-V659 HydrophobicContact CB-CG2 4.16Å; Q604-V659 VanDerWaalsContact OE1-CG1 3.29Å; M605-V659 HydrophobicContact CE-CG2 3.65Å; E655-V659 HydrophobicContact CG-CG2 4.47Å; E655-V659 WeakPolarHBondContact O-CG2 3.44Å; E655-V659 PolarHBondContact O-N 3.26Å; Q656-V659 PolarHBondContact O-N 3.43Å; V659-K661 PolarHBondContact O-N 3.39Å; V659-Q662 WeakPolarHBondContact O-CB 3.47Å; V659-Q662 PolarHBondContact O-N 3.23Å; V659-Q662 VanDerWaalsContact O-N 3.08Å; V659-N663 VanDerWaalsContact O-CG 3.31Å; V659-N663 PolarHBondContact O-N 3.29Å; V659-N663 PolarHBondContact O-ND2 3.11Å
660D87.3Confident83.4Confident72 Ų7263.2 Ų63.239%0.38534%0.335SS..Hα-helixtrans-58-41.8172.5-66.8-17.6000110.2Q656 Q657 N663 E664Q656-D660 PolarHBondContact NE2-OD1 2.92Å; Q656-D660 WeakPolarHBondContact O-CB 3.41Å; Q656-D660 PolarHBondContact O-N 3.39Å; Q657-D660 PolarHBondContact O-N 3.36Å; D660-N663 PolarHBondContact O-N 2.84Å; D660-E664 WeakPolarHBondContact O-CG 3.4Å; D660-E664 PolarHBondContact O-N 2.59Å
661K85.8Confident83Confident48 Ų4865.7 Ų65.721%0.20935%0.348CS..Hα-helixtrans-64.8-36.7172.9-70-58.5-174.3172.20114.1E590 F591 Q657 F658 V659 N663 E664 L665E590-K661 VanDerWaalsContact CD-CE 3.41Å; E590-K661 WeakPolarHBondContact OE1-CE 3.49Å; E590-K661 IonicContact OE1-NZ 3.93Å; E590-K661 PolarHBondContact OE1-NZ 3.19Å; E590-K661 WeakPolarHBondContact OE2-CD 3.36Å; E590-K661 WeakPolarHBondContact OE2-CE 3.35Å; E590-K661 IonicContact OE2-NZ 3.28Å; E590-K661 PolarHBondContact OE2-NZ 3.27Å; F591-K661 HydrophobicContact CE2-CB 4.32Å; F591-K661 HydrophobicContact CZ-CB 3.87Å; Q657-K661 VanDerWaalsContact O-CG 3.27Å; Q657-K661 WeakPolarHBondContact O-CG 3.46Å; Q657-K661 PolarHBondContact O-N 2.95Å; F658-K661 WeakPolarHBondContact O-CB 3.47Å; F658-K661 PolarHBondContact O-N 2.86Å; V659-K661 PolarHBondContact O-N 3.39Å; K661-N663 VanDerWaalsContact C-N 3.34Å; K661-E664 WeakPolarHBondContact CD-OE2 3.48Å; K661-E664 IonicContact NZ-OE2 2.77Å; K661-E664 PolarHBondContact NZ-OE2 3.44Å; K661-L665 WeakPolarHBondContact O-CG 3.39Å
662Q84.9Confident82.3Confident19 Ų1963.3 Ų63.39%0.08934%0.339CS..Hα-helixtrans-64.5-40.9172.1-66.4-169.2-28.900111.8W613 F658 V659 L665 N666W613-Q662 HydrophobicContact CD2-CG 4.06Å; W613-Q662 HydrophobicContact CE3-CG 4.06Å; W613-Q662 HydrophobicContact CH2-CB 4.3Å; W613-Q662 HydrophobicContact CH2-CG 3.62Å; W613-Q662 HydrophobicContact CZ2-CB 3.99Å; W613-Q662 HydrophobicContact CZ2-CG 3.61Å; W613-Q662 HydrophobicContact CZ3-CG 3.86Å; F658-Q662 HydrophobicContact CD2-CG 4.43Å; F658-Q662 HydrophobicContact CE2-CG 4.07Å; F658-Q662 HydrophobicContact CZ-CG 4.15Å; F658-Q662 WeakPolarHBondContact O-CG 3.4Å; F658-Q662 PolarHBondContact O-N 3.46Å; V659-Q662 WeakPolarHBondContact O-CB 3.47Å; V659-Q662 PolarHBondContact O-N 3.23Å; V659-Q662 VanDerWaalsContact O-N 3.08Å; Q662-L665 PolarHBondContact O-N 3.3Å; Q662-N666 PolarHBondContact O-N 2.76Å; Q662-N666 PolarHBondContact O-ND2 2.84Å
663N81.6Confident81.6Confident81 Ų8163.8 Ų63.843%0.43334%0.343SS..Hα-helixtrans-70.1-35.8-178.8-69.4-31.1000112.3V659 D660 K661 L665 N666 S667V659-N663 VanDerWaalsContact O-CG 3.31Å; V659-N663 PolarHBondContact O-N 3.29Å; V659-N663 PolarHBondContact O-ND2 3.11Å; D660-N663 PolarHBondContact O-N 2.84Å; K661-N663 VanDerWaalsContact C-N 3.34Å; N663-L665 PolarHBondContact O-N 2.74Å; N663-N666 PolarHBondContact O-N 3.34Å; N663-S667 PolarHBondContact O-N 3Å; N663-S667 PolarHBondContact O-OG 3.15Å
664E78.3Confident80.7Confident117 Ų11767.6 Ų67.655%0.54736%0.364SS..Hα-helixtrans-58.4-26.5172.1-77.9178.1-178.900112.7D660 K661D660-E664 WeakPolarHBondContact O-CG 3.4Å; D660-E664 PolarHBondContact O-N 2.59Å; K661-E664 WeakPolarHBondContact CD-OE2 3.48Å; K661-E664 IonicContact NZ-OE2 2.77Å; K661-E664 PolarHBondContact NZ-OE2 3.44Å
665L69.2Low79.9Confident46 Ų4667.3 Ų67.324%0.24136%0.359CS..Hα-helixtrans-90.3-22.5179.9-62.8175.3000114.5H588 F591 W613 K661 Q662 N663H588-L665 HydrophobicContact CB-CD1 3.8Å; H588-L665 HydrophobicContact CB-CD2 3.54Å; H588-L665 HydrophobicContact CB-CG 4.33Å; H588-L665 WeakPolarHBondContact CD2-CD2 3.47Å; H588-L665 WeakPolarHBondContact NE2-CD2 3.44Å; F591-L665 HydrophobicContact CD2-CD1 4.03Å; F591-L665 HydrophobicContact CE2-CD1 3.69Å; W613-L665 HydrophobicContact CH2-CD1 3.62Å; W613-L665 HydrophobicContact CZ2-CD1 3.77Å; K661-L665 WeakPolarHBondContact O-CG 3.39Å; Q662-L665 PolarHBondContact O-N 3.3Å; N663-L665 PolarHBondContact O-N 2.74Å
666N59.7Low78.9Confident124 Ų12471.3 Ų71.366%0.66338%0.381SS*.Hα-helixtrans-92.9-3177.6-67.7-32.6000112.5Q662 N663Q662-N666 PolarHBondContact O-N 2.76Å; Q662-N666 PolarHBondContact O-ND2 2.84Å; N663-N666 PolarHBondContact O-N 3.34Å
667S42.1Very low78Confident154 Ų15469.6 Ų69.6100%1.07738%0.378SS*.  trans-98.30176.5-55.50000110.9N663N663-S667 PolarHBondContact O-N 3Å; N663-S667 PolarHBondContact O-OG 3.15Å

Retrieved 667 of 667 residues in 3765.3 ms (Link to these results)

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