A0A096MYE1_PAPAN Loading...

DnaJ heat shock protein family (Hsp40) member B4

AlphaFold DB (Q9UDY4), UniProt , Accession A0A096MYE1, Species PAPAN (Papio anubis, Olive baboon), Gene DNAJB4, Length 337 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M57.5Low85.3Confident237 Ų23756.8 Ų56.8100%1.16734%0.341SS*.  0114.30-90.9-178.6172.800106.6
2G71.8Confident85.6Confident37 Ų3766 Ų6638%0.38138%0.378SS..  trans-64.2153.6174.400000111.5E69G2-E69 WeakPolarHBondContact CA-OE2 3.35Å
3K81.6Confident85.7Confident64 Ų6472.6 Ų72.628%0.27840%0.4SS..  trans-61134.2174-67.6-178.8-175-175.20110.1Y5 I8 E50 Y64 E69K3-Y5 HydrophobicContact CB-CD1 4.47Å; K3-Y5 HydrophobicContact CB-CE1 4.25Å; K3-Y5 HydrophobicContact CD-CE1 4.44Å; K3-Y5 PolarHBondContact O-N 3.38Å; K3-I8 HydrophobicContact CB-CD1 3.97Å; K3-I8 HydrophobicContact CD-CD1 4.34Å; K3-I8 HydrophobicContact CG-CD1 4.5Å; K3-E50 IonicContact NZ-OE2 2.63Å; K3-E50 PolarHBondContact NZ-OE2 3.31Å; K3-Y64 PolarHBondContact O-OH 2.81Å; K3-E69 WeakPolarHBondContact CG-OE2 3.48Å; K3-E69 PolarHBondContact N-OE2 2.84Å
4D89.8Confident85.6Confident66 Ų6672 Ų7235%0.35342%0.418SS..  trans-90.697.1170.3-169.1-9.8000110.6Y6 C7 I8 Y64D4-Y6 PolarHBondContact O-N 2.97Å; D4-Y6 PolarHBondContact OD1-N 3.25Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; D4-C7 HydrophobicContact CB-CB 3.76Å; D4-C7 WeakPolarHBondContact O-CB 3.34Å; D4-C7 PolarHBondContact O-N 3.18Å; D4-C7 VanDerWaalsContact O-N 3.13Å; D4-I8 WeakPolarHBondContact O-CG1 3.5Å; D4-I8 PolarHBondContact O-N 3.12Å; D4-Y64 VanDerWaalsContact CA-OH 3.24Å; D4-Y64 WeakPolarHBondContact CA-OH 3.28Å; D4-Y64 PolarHBondContact OD1-OH 2.84Å
5Y91.2Very high85.7Confident0 Ų068.2 Ų68.20%040%0.399CS..Hα-helixtrans-59.8-30.6179.8-64.9-41.1000113.6K3 I8 L9 E50 A51 V54 Y64 L72K3-Y5 HydrophobicContact CB-CD1 4.47Å; K3-Y5 HydrophobicContact CB-CE1 4.25Å; K3-Y5 HydrophobicContact CD-CE1 4.44Å; K3-Y5 PolarHBondContact O-N 3.38Å; Y5-I8 HydrophobicContact CD1-CD1 4Å; Y5-L9 PolarHBondContact O-N 3.21Å; Y5-L9 VanDerWaalsContact O-N 3.14Å; Y5-E50 HydrophobicContact CE1-CB 4.34Å; Y5-E50 HydrophobicContact CE1-CG 3.79Å; Y5-E50 PolarHBondContact OH-OE1 2.98Å; Y5-A51 VanDerWaalsContact CD1-CA 3.44Å; Y5-A51 HydrophobicContact CD1-CB 3.61Å; Y5-A51 HydrophobicContact CG-CB 3.97Å; Y5-V54 HydrophobicContact CD2-CB 3.94Å; Y5-V54 HydrophobicContact CD2-CG1 3.79Å; Y5-V54 HydrophobicContact CD2-CG2 4.27Å; Y5-V54 HydrophobicContact CE2-CB 3.82Å; Y5-V54 HydrophobicContact CE2-CG1 3.76Å; Y5-V54 HydrophobicContact CE2-CG2 3.64Å; Y5-Y64 HydrophobicContact CD2-CD1 4.12Å; Y5-Y64 AromaticContact CD2-CD2 3.41Å; Y5-Y64 HydrophobicContact CD2-CD2 3.41Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.41Å; Y5-Y64 AromaticContact CD2-CE1 3.93Å; Y5-Y64 HydrophobicContact CD2-CE1 3.93Å; Y5-Y64 AromaticContact CD2-CE2 3.19Å; Y5-Y64 HydrophobicContact CD2-CE2 3.19Å; Y5-Y64 AromaticContact CD2-CG 3.88Å; Y5-Y64 HydrophobicContact CD2-CG 3.88Å; Y5-Y64 AromaticContact CD2-CZ 3.5Å; Y5-Y64 VanDerWaalsContact CD2-CZ 3.5Å; Y5-Y64 AromaticContact CE2-CD2 3.58Å; Y5-Y64 HydrophobicContact CE2-CD2 3.58Å; Y5-Y64 AromaticContact CE2-CE2 3.59Å; Y5-Y64 HydrophobicContact CE2-CE2 3.59Å; Y5-Y64 HydrophobicContact CE2-CG 4.31Å; Y5-Y64 HydrophobicContact CG-CE1 4.43Å; Y5-Y64 AromaticContact CG-CE2 3.99Å; Y5-Y64 HydrophobicContact CG-CE2 3.99Å; Y5-Y64 AromaticContact CG-CZ 3.94Å; Y5-Y64 PolarHBondContact N-OH 2.89Å; Y5-L72 HydrophobicContact CE2-CD1 3.83Å
6Y91.9Very high85.9Confident3 Ų367.3 Ų67.31%0.01240%0.397CS..Hα-helixtrans-69.1-43.6175.4-67.8-81.9000110.5D4 I8 L9 G10 I11 E12 K13 L55 R61 Y64 D65D4-Y6 PolarHBondContact O-N 2.97Å; D4-Y6 PolarHBondContact OD1-N 3.25Å; D4-Y6 VanDerWaalsContact OD1-N 3.1Å; Y6-I8 PolarHBondContact O-N 3.46Å; Y6-L9 PolarHBondContact O-N 3.31Å; Y6-G10 PolarHBondContact O-N 2.89Å; Y6-I11 CarbonylContact C-O 3.53Å; Y6-I11 WeakPolarHBondContact CB-O 3.36Å; Y6-I11 HydrophobicContact CD1-CD1 4.1Å; Y6-I11 HydrophobicContact CD1-CG1 4.08Å; Y6-I11 PolarHBondContact O-N 3.37Å; Y6-I11 VanDerWaalsContact O-O 3.08Å; Y6-E12 WeakPolarHBondContact CD1-O 3.34Å; Y6-K13 HydrophobicContact CD2-CB 4.46Å; Y6-K13 HydrophobicContact CD2-CD 4.43Å; Y6-K13 HydrophobicContact CD2-CG 3.59Å; Y6-K13 HydrophobicContact CE2-CB 4.46Å; Y6-K13 HydrophobicContact CE2-CG 3.89Å; Y6-K13 HydrophobicContact CG-CG 3.93Å; Y6-L55 HydrophobicContact CD1-CD1 4.21Å; Y6-L55 HydrophobicContact CD2-CD2 4.46Å; Y6-L55 HydrophobicContact CE1-CD1 4.33Å; Y6-L55 HydrophobicContact CE1-CD2 3.98Å; Y6-L55 HydrophobicContact CE2-CD2 3.91Å; Y6-L55 HydrophobicContact CG-CD1 4.44Å; Y6-R61 PolarHBondContact OH-NE 2.52Å; Y6-Y64 AromaticContact CD2-CE1 3.72Å; Y6-Y64 HydrophobicContact CD2-CE1 3.72Å; Y6-Y64 HydrophobicContact CE2-CD1 4.02Å; Y6-Y64 AromaticContact CE2-CE1 3.57Å; Y6-Y64 HydrophobicContact CE2-CE1 3.57Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.44Å; Y6-D65 PolarHBondContact OH-OD1 3.31Å; Y6-D65 PolarHBondContact OH-OD2 3.39Å
7C91.7Very high86Confident91 Ų9168.6 Ų68.662%0.61540%0.402SS*.Hα-helixtrans-63.6-40.5175.4-168.90000112.3D4 L9 G10D4-C7 HydrophobicContact CB-CB 3.76Å; D4-C7 WeakPolarHBondContact O-CB 3.34Å; D4-C7 PolarHBondContact O-N 3.18Å; D4-C7 VanDerWaalsContact O-N 3.13Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-L9 PolarHBondContact O-N 2.68Å; C7-G10 PolarHBondContact O-N 3.4Å
8I90.6Very high86.1Confident33 Ų3372 Ų7217%0.16941%0.413CS..Hα-helixtrans-60.2-43.6176.5-71.1163.1000111.3K3 D4 Y5 Y6 G10 Q27 E47 V48 A51K3-I8 HydrophobicContact CB-CD1 3.97Å; K3-I8 HydrophobicContact CD-CD1 4.34Å; K3-I8 HydrophobicContact CG-CD1 4.5Å; D4-I8 WeakPolarHBondContact O-CG1 3.5Å; D4-I8 PolarHBondContact O-N 3.12Å; Y5-I8 HydrophobicContact CD1-CD1 4Å; Y6-I8 PolarHBondContact O-N 3.46Å; I8-G10 VanDerWaalsContact C-N 3.28Å; I8-G10 PolarHBondContact O-N 3.18Å; I8-Q27 PolarHBondContact O-NE2 2.93Å; I8-E47 HydrophobicContact CD1-CB 4.24Å; I8-E47 HydrophobicContact CG2-CB 4.05Å; I8-V48 HydrophobicContact CG2-CG2 3.92Å; I8-A51 HydrophobicContact CB-CB 4.25Å; I8-A51 HydrophobicContact CG2-CB 3.93Å
9L90.4Very high86.3Confident4 Ų471.7 Ų71.72%0.02141%0.41CS..Hα-helixtrans-75.5-18175.8-69.6-175.2000112.9Y5 Y6 C7 I11 I20 A23 Y24 V48 A51 L55Y5-L9 PolarHBondContact O-N 3.21Å; Y5-L9 VanDerWaalsContact O-N 3.14Å; Y6-L9 PolarHBondContact O-N 3.31Å; C7-L9 VanDerWaalsContact C-N 3.34Å; C7-L9 PolarHBondContact O-N 2.68Å; L9-I11 HydrophobicContact CB-CD1 4.02Å; L9-I11 HydrophobicContact CB-CG1 3.88Å; L9-I11 HydrophobicContact CD1-CD1 4.06Å; L9-I20 HydrophobicContact CD1-CG2 4.09Å; L9-A23 HydrophobicContact CB-CB 4.07Å; L9-Y24 HydrophobicContact CD2-CD2 4.48Å; L9-V48 HydrophobicContact CD2-CG1 4.13Å; L9-A51 HydrophobicContact CD1-CB 4.34Å; L9-A51 HydrophobicContact CD2-CB 4.17Å; L9-A51 HydrophobicContact CG-CB 3.88Å; L9-L55 HydrophobicContact CD1-CD1 3.72Å
10G89.7Confident86.5Confident57 Ų5768.3 Ų68.359%0.58839%0.39SS*.THydrogen-bonded Turntrans76.638-177.900000112.6Y6 C7 I8Y6-G10 PolarHBondContact O-N 2.89Å; C7-G10 PolarHBondContact O-N 3.4Å; I8-G10 VanDerWaalsContact C-N 3.28Å; I8-G10 PolarHBondContact O-N 3.18Å
11I92Very high86.6Confident33 Ų3370.1 Ų70.117%0.16939%0.394CS..  trans-128162.3179.755.6176.4000110.3Y6 L9 A15 I20 A23Y6-I11 CarbonylContact C-O 3.53Å; Y6-I11 WeakPolarHBondContact CB-O 3.36Å; Y6-I11 HydrophobicContact CD1-CD1 4.1Å; Y6-I11 HydrophobicContact CD1-CG1 4.08Å; Y6-I11 PolarHBondContact O-N 3.37Å; Y6-I11 VanDerWaalsContact O-O 3.08Å; L9-I11 HydrophobicContact CB-CD1 4.02Å; L9-I11 HydrophobicContact CB-CG1 3.88Å; L9-I11 HydrophobicContact CD1-CD1 4.06Å; I11-A15 HydrophobicContact CB-CB 4.22Å; I11-A15 HydrophobicContact CD1-CB 3.96Å; I11-A15 HydrophobicContact CG1-CB 4.46Å; I11-I20 HydrophobicContact CD1-CB 4.44Å; I11-I20 HydrophobicContact CD1-CG1 3.67Å; I11-A23 HydrophobicContact CG2-CB 3.48Å; I11-A23 VanDerWaalsContact CG2-CB 3.48Å
12E89.3Confident88.1Confident167 Ų16764.3 Ų64.378%0.7836%0.362SS*.  trans-85.5155.7176-66.1-173.6167.500112.3Y6 G14 A15Y6-E12 WeakPolarHBondContact CD1-O 3.34Å; E12-G14 PolarHBondContact O-N 3.09Å; E12-A15 WeakPolarHBondContact O-CB 3.28Å; E12-A15 PolarHBondContact O-N 3.24Å
13K86.2Confident89Confident152 Ų15263.1 Ų63.166%0.66135%0.349SS*.THydrogen-bonded Turntrans-60.4128.3171-68.5-171.7176.7-173.50109.2Y6Y6-K13 HydrophobicContact CD2-CB 4.46Å; Y6-K13 HydrophobicContact CD2-CD 4.43Å; Y6-K13 HydrophobicContact CD2-CG 3.59Å; Y6-K13 HydrophobicContact CE2-CB 4.46Å; Y6-K13 HydrophobicContact CE2-CG 3.89Å; Y6-K13 HydrophobicContact CG-CG 3.93Å
14G84.4Confident89.5Confident64 Ų6460.1 Ų60.166%0.6634%0.336SS*.THydrogen-bonded Turntrans96.84-175.400000115.3E12E12-G14 PolarHBondContact O-N 3.09Å
15A87.2Confident89.5Confident15 Ų1563.7 Ų63.712%0.12434%0.344CS..  trans-54.3147.4172.800000113I11 E12 D19 I20 R61I11-A15 HydrophobicContact CB-CB 4.22Å; I11-A15 HydrophobicContact CD1-CB 3.96Å; I11-A15 HydrophobicContact CG1-CB 4.46Å; E12-A15 WeakPolarHBondContact O-CB 3.28Å; E12-A15 PolarHBondContact O-N 3.24Å; A15-D19 HydrophobicContact CB-CB 4.11Å; A15-I20 HydrophobicContact CB-CG1 4.49Å; A15-R61 PolarHBondContact O-NH1 2.85Å; A15-R61 VanDerWaalsContact O-NH1 3.09Å; A15-R61 PolarHBondContact O-NH2 3.37Å
16S89.4Confident89.4Confident54 Ų5471.4 Ų71.438%0.37838%0.378SS..  trans-71.2161.1177.474.40000111.8E18 D19 I20S16-E18 PolarHBondContact O-N 3.5Å; S16-D19 WeakPolarHBondContact CB-OD2 3.5Å; S16-D19 PolarHBondContact N-OD2 3.35Å; S16-D19 PolarHBondContact O-N 3.12Å; S16-D19 PolarHBondContact OG-N 3.3Å; S16-D19 PolarHBondContact OG-OD2 2.93Å; S16-I20 PolarHBondContact O-N 3.23Å
17D87.9Confident89.3Confident90 Ų9072.7 Ų72.748%0.48138%0.384SS..Hα-helixtrans-57.8-31.4175.3-67.8-2.7000112.4K21 R61D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.27Å; D17-K21 VanDerWaalsContact O-N 3.16Å; D17-R61 IonicContact OD1-NH1 3.6Å
18E86.7Confident89.1Confident129 Ų12968.3 Ų68.360%0.60336%0.355SS*.Hα-helixtrans-67.4-40.3174.3-69.7-160171.900112.2S16 K21 K22S16-E18 PolarHBondContact O-N 3.5Å; E18-K21 PolarHBondContact O-N 3.41Å; E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 VanDerWaalsContact O-CG 3.27Å; E18-K22 WeakPolarHBondContact O-CG 3.4Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 IonicContact OE2-NZ 2.72Å; E18-K22 PolarHBondContact OE2-NZ 3.38Å
19D89.7Confident88.9Confident67 Ų6769 Ų6936%0.35836%0.359SS..Hα-helixtrans-69.9-39.1-179-60.7-39000110.9A15 S16 K21 K22 A23A15-D19 HydrophobicContact CB-CB 4.11Å; S16-D19 WeakPolarHBondContact CB-OD2 3.5Å; S16-D19 PolarHBondContact N-OD2 3.35Å; S16-D19 PolarHBondContact O-N 3.12Å; S16-D19 PolarHBondContact OG-N 3.3Å; S16-D19 PolarHBondContact OG-OD2 2.93Å; D19-K21 VanDerWaalsContact C-N 3.34Å; D19-K21 PolarHBondContact O-N 3.14Å; D19-K22 PolarHBondContact O-N 2.79Å; D19-K22 IonicContact OD1-NZ 3.05Å; D19-A23 WeakPolarHBondContact O-CB 3.32Å; D19-A23 PolarHBondContact O-N 3.1Å
20I90.4Very high88.7Confident2 Ų274.4 Ų74.41%0.0138%0.382CS..Hα-helixtrans-58.2-46.9172-67163.5000110.4L9 I11 A15 S16 A23 Y24 Y52 L55 R61L9-I20 HydrophobicContact CD1-CG2 4.09Å; I11-I20 HydrophobicContact CD1-CB 4.44Å; I11-I20 HydrophobicContact CD1-CG1 3.67Å; A15-I20 HydrophobicContact CB-CG1 4.49Å; S16-I20 PolarHBondContact O-N 3.23Å; I20-A23 PolarHBondContact O-N 2.85Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 3.45Å; I20-Y52 HydrophobicContact CG2-CD2 3.89Å; I20-Y52 HydrophobicContact CG2-CE2 4.16Å; I20-L55 HydrophobicContact CD1-CB 4.15Å; I20-L55 HydrophobicContact CG2-CB 4.02Å; I20-R61 VanDerWaalsContact CD1-NH1 3.32Å
21K89.1Confident88.6Confident107 Ų10772.8 Ų72.847%0.46536%0.358SS..Hα-helixtrans-63.8-42.3176.9-72.7174-177.3173.50112.3D17 E18 D19 R25 Y52 F101D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.27Å; D17-K21 VanDerWaalsContact O-N 3.16Å; E18-K21 PolarHBondContact O-N 3.41Å; D19-K21 VanDerWaalsContact C-N 3.34Å; D19-K21 PolarHBondContact O-N 3.14Å; K21-R25 WeakPolarHBondContact O-CB 3.4Å; K21-R25 PolarHBondContact O-N 3.03Å; K21-Y52 HydrophobicContact CG-CE2 4.01Å; K21-F101 HydrophobicContact CB-CE2 4.16Å; K21-F101 HydrophobicContact CB-CZ 4.36Å; K21-F101 HydrophobicContact CG-CE2 4.17Å; K21-F101 WeakPolarHBondContact O-CZ 3.21Å
22K89Confident88.3Confident115 Ų11571.6 Ų71.650%0.535%0.352SS..Hα-helixtrans-64.7-43.6177.4-73.7168.1-167.1156.50111.3E18 D19 R25 K26E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 VanDerWaalsContact O-CG 3.27Å; E18-K22 WeakPolarHBondContact O-CG 3.4Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 IonicContact OE2-NZ 2.72Å; E18-K22 PolarHBondContact OE2-NZ 3.38Å; D19-K22 PolarHBondContact O-N 2.79Å; D19-K22 IonicContact OD1-NZ 3.05Å; K22-R25 WeakPolarHBondContact O-CB 3.3Å; K22-R25 PolarHBondContact O-N 3.24Å; K22-K26 PolarHBondContact O-N 2.75Å
23A91.3Very high87.8Confident12 Ų1266.1 Ų66.110%0.09933%0.331CS..Hα-helixtrans-65-47.2179.100000111.8L9 I11 D19 I20 R25 K26 Q27L9-A23 HydrophobicContact CB-CB 4.07Å; I11-A23 HydrophobicContact CG2-CB 3.48Å; I11-A23 VanDerWaalsContact CG2-CB 3.48Å; D19-A23 WeakPolarHBondContact O-CB 3.32Å; D19-A23 PolarHBondContact O-N 3.1Å; I20-A23 PolarHBondContact O-N 2.85Å; A23-R25 VanDerWaalsContact C-N 3.35Å; A23-R25 PolarHBondContact O-N 3.01Å; A23-K26 PolarHBondContact O-N 3.21Å; A23-Q27 WeakPolarHBondContact O-CG 3.38Å; A23-Q27 PolarHBondContact O-N 3.24Å
24Y91.7Very high87.5Confident1 Ų163.9 Ų63.90%0.00433%0.326CS..Hα-helixtrans-57.3-47.6173.7175.9-105.1000111.5L9 I20 K26 Q27 A28 V48 Y52 F98 F101 F102L9-Y24 HydrophobicContact CD2-CD2 4.48Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 3.45Å; Y24-K26 VanDerWaalsContact C-N 3.28Å; Y24-K26 PolarHBondContact O-N 3.15Å; Y24-Q27 PolarHBondContact O-N 3.44Å; Y24-A28 HydrophobicContact CD2-CB 4.36Å; Y24-A28 HydrophobicContact CE1-CB 4.18Å; Y24-A28 HydrophobicContact CE2-CB 4.04Å; Y24-A28 WeakPolarHBondContact O-CB 3.06Å; Y24-A28 PolarHBondContact O-N 3.33Å; Y24-V48 HydrophobicContact CD2-CG1 3.65Å; Y24-V48 HydrophobicContact CE2-CG1 3.87Å; Y24-Y52 HydrophobicContact CD1-CD1 4.08Å; Y24-Y52 HydrophobicContact CD1-CD2 4.04Å; Y24-Y52 HydrophobicContact CD1-CE1 4.35Å; Y24-Y52 HydrophobicContact CD1-CE2 4.3Å; Y24-Y52 AromaticContact CD1-CG 3.93Å; Y24-Y52 HydrophobicContact CD1-CG 3.93Å; Y24-Y52 HydrophobicContact CD2-CD1 4.19Å; Y24-Y52 HydrophobicContact CD2-CD2 4.1Å; Y24-Y52 AromaticContact CD2-CG 3.58Å; Y24-Y52 HydrophobicContact CD2-CG 3.58Å; Y24-Y52 HydrophobicContact CE1-CD1 4.19Å; Y24-Y52 HydrophobicContact CE1-CG 4.41Å; Y24-Y52 HydrophobicContact CE2-CD1 4.28Å; Y24-Y52 HydrophobicContact CE2-CG 4.08Å; Y24-Y52 HydrophobicContact CG-CD1 4.07Å; Y24-Y52 AromaticContact CG-CD2 3.56Å; Y24-Y52 HydrophobicContact CG-CD2 3.56Å; Y24-Y52 HydrophobicContact CG-CE2 4.23Å; Y24-Y52 AromaticContact CG-CG 3.46Å; Y24-Y52 HydrophobicContact CG-CG 3.46Å; Y24-Y52 VanDerWaalsContact CG-CG 3.46Å; Y24-F98 VanDerWaalsContact OH-CA 3.31Å; Y24-F98 WeakPolarHBondContact OH-CA 3.41Å; Y24-F98 PolarHBondContact OH-N 2.96Å; Y24-F101 HydrophobicContact CD1-CB 4.28Å; Y24-F101 AromaticContact CD1-CD1 3.76Å; Y24-F101 HydrophobicContact CD1-CD1 3.76Å; Y24-F101 AromaticContact CD1-CD2 3.49Å; Y24-F101 HydrophobicContact CD1-CD2 3.49Å; Y24-F101 VanDerWaalsContact CD1-CD2 3.49Å; Y24-F101 AromaticContact CD1-CE1 3.86Å; Y24-F101 HydrophobicContact CD1-CE1 3.86Å; Y24-F101 AromaticContact CD1-CE2 3.6Å; Y24-F101 HydrophobicContact CD1-CE2 3.6Å; Y24-F101 AromaticContact CD1-CG 3.57Å; Y24-F101 HydrophobicContact CD1-CG 3.57Å; Y24-F101 AromaticContact CD1-CZ 3.78Å; Y24-F101 HydrophobicContact CD1-CZ 3.78Å; Y24-F101 HydrophobicContact CE1-CB 3.56Å; Y24-F101 AromaticContact CE1-CD1 3.65Å; Y24-F101 HydrophobicContact CE1-CD1 3.65Å; Y24-F101 AromaticContact CE1-CD2 3.68Å; Y24-F101 HydrophobicContact CE1-CD2 3.68Å; Y24-F101 HydrophobicContact CE1-CE1 4.22Å; Y24-F101 HydrophobicContact CE1-CE2 4.25Å; Y24-F101 AromaticContact CE1-CG 3.34Å; Y24-F101 HydrophobicContact CE1-CG 3.34Å; Y24-F101 HydrophobicContact CE1-CZ 4.49Å; Y24-F102 HydrophobicContact CE1-CE2 4.21Å
25R88.9Confident87.1Confident142 Ų14266 Ų6654%0.53632%0.317SS..Hα-helixtrans-53.8-46.5176.6-174.9-176.5-64.9-171.1-1111.7K21 K22 A23 L29 F101 F102K21-R25 WeakPolarHBondContact O-CB 3.4Å; K21-R25 PolarHBondContact O-N 3.03Å; K22-R25 WeakPolarHBondContact O-CB 3.3Å; K22-R25 PolarHBondContact O-N 3.24Å; A23-R25 VanDerWaalsContact C-N 3.35Å; A23-R25 PolarHBondContact O-N 3.01Å; R25-L29 HydrophobicContact CG-CD1 4.18Å; R25-L29 WeakPolarHBondContact O-CB 3.48Å; R25-L29 WeakPolarHBondContact O-CD1 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 2.78Å; R25-F101 HydrophobicContact CB-CE1 3.85Å; R25-F101 HydrophobicContact CB-CZ 4.04Å; R25-F101 HydrophobicContact CG-CE1 4.24Å; R25-F102 HydrophobicContact CB-CZ 4.43Å; R25-F102 HydrophobicContact CG-CE1 3.96Å; R25-F102 HydrophobicContact CG-CZ 3.93Å
26K89.6Confident86.8Confident161 Ų16167.3 Ų67.370%0.732%0.322SS*.Hα-helixtrans-65.5-47.3-178.8-175.7177.7178.7-178.20111.9K22 A23 Y24 K30K22-K26 PolarHBondContact O-N 2.75Å; A23-K26 PolarHBondContact O-N 3.21Å; Y24-K26 VanDerWaalsContact C-N 3.28Å; Y24-K26 PolarHBondContact O-N 3.15Å; K26-K30 WeakPolarHBondContact O-CB 3.38Å; K26-K30 PolarHBondContact O-N 3.03Å
27Q90Very high86.2Confident30 Ų3073.9 Ų73.914%0.1434%0.344CS..Hα-helixtrans-73.6-41.3-177-66-70.926.300112.4I8 A23 Y24 L29 K30 F31 V48I8-Q27 PolarHBondContact O-NE2 2.93Å; A23-Q27 WeakPolarHBondContact O-CG 3.38Å; A23-Q27 PolarHBondContact O-N 3.24Å; Y24-Q27 PolarHBondContact O-N 3.44Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 2.9Å; Q27-K30 WeakPolarHBondContact O-CB 3.5Å; Q27-K30 PolarHBondContact O-N 2.9Å; Q27-F31 WeakPolarHBondContact O-CD2 3.3Å; Q27-F31 PolarHBondContact O-N 2.97Å; Q27-F31 VanDerWaalsContact OE1-CE2 3.26Å; Q27-V48 HydrophobicContact CB-CB 4.37Å; Q27-V48 HydrophobicContact CB-CG1 3.63Å; Q27-V48 HydrophobicContact CB-CG2 3.73Å; Q27-V48 HydrophobicContact CG-CG2 4.46Å
28A88.2Confident86Confident0 Ų072 Ų720%034%0.338CS..Hα-helixtrans-59.8-39.8176.900000111.3Y24 H32 F45 V48 F98 F102Y24-A28 HydrophobicContact CD2-CB 4.36Å; Y24-A28 HydrophobicContact CE1-CB 4.18Å; Y24-A28 HydrophobicContact CE2-CB 4.04Å; Y24-A28 WeakPolarHBondContact O-CB 3.06Å; Y24-A28 PolarHBondContact O-N 3.33Å; A28-H32 WeakPolarHBondContact O-CB 3.39Å; A28-H32 PolarHBondContact O-N 3.28Å; A28-F45 HydrophobicContact CB-CE2 4.22Å; A28-V48 HydrophobicContact CB-CG1 4.45Å; A28-F98 HydrophobicContact CB-CD2 4.02Å; A28-F98 HydrophobicContact CB-CE2 3.99Å; A28-F102 HydrophobicContact CB-CE2 4Å; A28-F102 HydrophobicContact CB-CZ 4.44Å
29L86.2Confident85.6Confident48 Ų4871.8 Ų71.825%0.25135%0.348SS..Hα-helixtrans-70.4-28.8173.9-69.7173.6000113.5R25 Q27 K35 F102 P107R25-L29 HydrophobicContact CG-CD1 4.18Å; R25-L29 WeakPolarHBondContact O-CB 3.48Å; R25-L29 WeakPolarHBondContact O-CD1 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 2.78Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 2.9Å; L29-K35 WeakPolarHBondContact O-CD 3.08Å; L29-F102 HydrophobicContact CD2-CE1 4.3Å; L29-F102 HydrophobicContact CD2-CZ 4.23Å; L29-F102 HydrophobicContact CG-CE1 4.41Å; L29-F102 HydrophobicContact CG-CZ 4.09Å; L29-P107 HydrophobicContact CD2-CB 3.33Å; L29-P107 HydrophobicContact CD2-CG 3.77Å
30K86.6Confident85.3Confident117 Ų11774.4 Ų74.451%0.50936%0.358SS..Hα-helixtrans-76-37.4-179.8-175.7179.8178.9-178.50112.3K26 Q27 N36K26-K30 WeakPolarHBondContact O-CB 3.38Å; K26-K30 PolarHBondContact O-N 3.03Å; Q27-K30 WeakPolarHBondContact O-CB 3.5Å; Q27-K30 PolarHBondContact O-N 2.9Å; K30-N36 PolarHBondContact O-ND2 3.34Å
31F86.6Confident84.9Confident22 Ų2274.4 Ų74.410%0.09636%0.358CS..Hα-helixtrans-104.73.8-176.5-62.9-64.3000113.9Q27 K44 F45 V48Q27-F31 WeakPolarHBondContact O-CD2 3.3Å; Q27-F31 PolarHBondContact O-N 2.97Å; Q27-F31 VanDerWaalsContact OE1-CE2 3.26Å; F31-K44 HydrophobicContact CB-CB 4.35Å; F31-K44 HydrophobicContact CD1-CB 3.72Å; F31-K44 HydrophobicContact CD1-CD 3.95Å; F31-K44 HydrophobicContact CD1-CG 4.47Å; F31-K44 HydrophobicContact CD2-CB 4.02Å; F31-K44 HydrophobicContact CE1-CB 3.98Å; F31-K44 HydrophobicContact CE1-CD 3.33Å; F31-K44 HydrophobicContact CE1-CG 4.28Å; F31-K44 HydrophobicContact CE2-CB 4.23Å; F31-K44 HydrophobicContact CE2-CD 4.19Å; F31-K44 HydrophobicContact CG-CB 3.76Å; F31-K44 HydrophobicContact CZ-CB 4.22Å; F31-K44 HydrophobicContact CZ-CD 3.47Å; F31-K44 VanDerWaalsContact CZ-CD 3.47Å; F31-K44 HydrophobicContact CZ-CG 4.44Å; F31-F45 HydrophobicContact CB-CB 4.06Å; F31-F45 HydrophobicContact CB-CD2 4.45Å; F31-V48 HydrophobicContact CD2-CG2 4.19Å
32H84.9Confident84.6Confident9 Ų976.4 Ų76.44%0.04237%0.369CS..  trans-55.6132.1177-165-96000111A28 D34 K35 N36 F98A28-H32 WeakPolarHBondContact O-CB 3.39Å; A28-H32 PolarHBondContact O-N 3.28Å; H32-D34 WeakPolarHBondContact ND1-CB 3.41Å; H32-D34 PolarHBondContact ND1-N 2.82Å; H32-D34 PolarHBondContact O-N 2.97Å; H32-D34 VanDerWaalsContact O-N 3.07Å; H32-K35 PolarHBondContact O-N 2.84Å; H32-N36 PolarHBondContact O-N 3.34Å; H32-F98 AromaticContact CD2-CE2 3.59Å; H32-F98 AromaticContact CD2-CZ 3.5Å; H32-F98 AromaticContact NE2-CE1 3.9Å; H32-F98 AromaticContact NE2-CZ 3.82Å
33P80.1Confident84.4Confident51 Ų5177 Ų7733%0.33137%0.374SS..THydrogen-bonded Turntrans-60.9-24-174.219.6-31.4000113.8
34D78.9Confident84.2Confident105 Ų10580.4 Ų80.456%0.56139%0.386SS*.THydrogen-bonded Turntrans-71.5-31.1174.3-162.540.6000112.9H32H32-D34 WeakPolarHBondContact ND1-CB 3.41Å; H32-D34 PolarHBondContact ND1-N 2.82Å; H32-D34 PolarHBondContact O-N 2.97Å; H32-D34 VanDerWaalsContact O-N 3.07Å
35K77.5Confident84Confident109 Ų10980.5 Ų80.547%0.47439%0.387SS..THydrogen-bonded Turntrans-95.6-33.6-177.8-166.7-178.5-172.5175.30112.5L29 H32 F108L29-K35 WeakPolarHBondContact O-CD 3.08Å; H32-K35 PolarHBondContact O-N 2.84Å; K35-F108 HydrophobicContact CD-CZ 4.4Å
36N79.4Confident84Confident43 Ų4378.6 Ų78.623%0.2338%0.382CS..  trans-127.3100.7-172.6-169.7-13.5000109.7K30 H32 S38 A41K30-N36 PolarHBondContact O-ND2 3.34Å; H32-N36 PolarHBondContact O-N 3.34Å; N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 3.47Å; N36-S38 WeakPolarHBondContact OD1-CB 3.33Å; N36-S38 PolarHBondContact OD1-N 2.85Å; N36-S38 PolarHBondContact OD1-OG 2.76Å; N36-A41 HydrophobicContact CB-CB 3.78Å; N36-A41 VanDerWaalsContact CG-CB 3.41Å; N36-A41 VanDerWaalsContact O-CB 3.23Å; N36-A41 WeakPolarHBondContact O-CB 3.41Å
37K78.6Confident84Confident191 Ų19173.5 Ų73.583%0.8336%0.361SS*.  trans-87.613.3179.8-60.7-175.2179.1-178.90113.4
38S83Confident84Confident51 Ų5172.1 Ų72.136%0.35736%0.355SS..SBendtrans-71.8144.7176.263.30000110.3N36 Q40 A41N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 3.47Å; N36-S38 WeakPolarHBondContact OD1-CB 3.33Å; N36-S38 PolarHBondContact OD1-N 2.85Å; N36-S38 PolarHBondContact OD1-OG 2.76Å; S38-Q40 PolarHBondContact O-N 2.82Å; S38-Q40 VanDerWaalsContact O-N 3.1Å; S38-A41 VanDerWaalsContact O-CB 3.27Å; S38-A41 WeakPolarHBondContact O-CB 3.45Å; S38-A41 PolarHBondContact O-N 2.95Å; S38-A41 WeakPolarHBondContact OG-CB 3.45Å
39P78.8Confident84.1Confident124 Ų12472.1 Ų72.181%0.80536%0.355SS*.Hα-helixtrans-61.1-22.3-179.121.2-31.4000113.1
40Q83Confident84.2Confident123 Ų12370.3 Ų70.358%0.57535%0.345SS*.Hα-helixtrans-85.3-12.4175.7-64.2-179.7-2.900113.7S38 K44S38-Q40 PolarHBondContact O-N 2.82Å; S38-Q40 VanDerWaalsContact O-N 3.1Å; Q40-K44 WeakPolarHBondContact O-CB 3.42Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 3.48Å; Q40-K44 VanDerWaalsContact O-N 3.11Å
41A81.2Confident84.4Confident1 Ų164.7 Ų64.71%0.00832%0.32CS..Hα-helixtrans-70.1-40.1-176.100000112.2N36 S38 K44 F45N36-A41 HydrophobicContact CB-CB 3.78Å; N36-A41 VanDerWaalsContact CG-CB 3.41Å; N36-A41 VanDerWaalsContact O-CB 3.23Å; N36-A41 WeakPolarHBondContact O-CB 3.41Å; S38-A41 VanDerWaalsContact O-CB 3.27Å; S38-A41 WeakPolarHBondContact O-CB 3.45Å; S38-A41 PolarHBondContact O-N 2.95Å; S38-A41 WeakPolarHBondContact OG-CB 3.45Å; A41-K44 PolarHBondContact O-N 2.97Å; A41-F45 VanDerWaalsContact O-CB 3.27Å; A41-F45 WeakPolarHBondContact O-CB 3.27Å; A41-F45 PolarHBondContact O-N 3.25Å
42E82.4Confident84.6Confident149 Ų14965.1 Ų65.170%0.69632%0.321SS*.Hα-helixtrans-64.3-43.2179.2-172.7173.5-176.200111.5F45 K46E42-F45 PolarHBondContact O-N 3.1Å; E42-K46 PolarHBondContact O-N 2.83Å
43E86.2Confident84.7Confident128 Ų12865.7 Ų65.760%0.59832%0.324SS*.Hα-helixtrans-62.8-46.9175.9-168.8169.8-154.100111.2F45 K46 E47E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 2.85Å; E43-K46 WeakPolarHBondContact O-CB 3.22Å; E43-K46 PolarHBondContact O-N 2.9Å; E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 2.77Å
44K86.8Confident85.1Confident83 Ų8363.2 Ų63.236%0.36131%0.308SS..Hα-helixtrans-64.2-35.6175.2-73.8-174.1179.1177.20113F31 Q40 A41 K46 E47 V48F31-K44 HydrophobicContact CB-CB 4.35Å; F31-K44 HydrophobicContact CD1-CB 3.72Å; F31-K44 HydrophobicContact CD1-CD 3.95Å; F31-K44 HydrophobicContact CD1-CG 4.47Å; F31-K44 HydrophobicContact CD2-CB 4.02Å; F31-K44 HydrophobicContact CE1-CB 3.98Å; F31-K44 HydrophobicContact CE1-CD 3.33Å; F31-K44 HydrophobicContact CE1-CG 4.28Å; F31-K44 HydrophobicContact CE2-CB 4.23Å; F31-K44 HydrophobicContact CE2-CD 4.19Å; F31-K44 HydrophobicContact CG-CB 3.76Å; F31-K44 HydrophobicContact CZ-CB 4.22Å; F31-K44 HydrophobicContact CZ-CD 3.47Å; F31-K44 VanDerWaalsContact CZ-CD 3.47Å; F31-K44 HydrophobicContact CZ-CG 4.44Å; Q40-K44 WeakPolarHBondContact O-CB 3.42Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 3.48Å; Q40-K44 VanDerWaalsContact O-N 3.11Å; A41-K44 PolarHBondContact O-N 2.97Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-E47 PolarHBondContact O-N 3.29Å; K44-V48 WeakPolarHBondContact O-CB 3.23Å; K44-V48 WeakPolarHBondContact O-CG2 3.32Å; K44-V48 PolarHBondContact O-N 3.04Å
45F88.2Confident85.6Confident4 Ų458.3 Ų58.32%0.01828%0.282CS..Hα-helixtrans-64.4-39.7176.1-174.6-113.5000111.2A28 F31 A41 E42 E43 V48 A49 P94 F98A28-F45 HydrophobicContact CB-CE2 4.22Å; F31-F45 HydrophobicContact CB-CB 4.06Å; F31-F45 HydrophobicContact CB-CD2 4.45Å; A41-F45 VanDerWaalsContact O-CB 3.27Å; A41-F45 WeakPolarHBondContact O-CB 3.27Å; A41-F45 PolarHBondContact O-N 3.25Å; E42-F45 PolarHBondContact O-N 3.1Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 2.85Å; F45-V48 PolarHBondContact O-N 2.86Å; F45-A49 WeakPolarHBondContact O-CB 3.46Å; F45-A49 PolarHBondContact O-N 3.31Å; F45-P94 HydrophobicContact CD1-CB 3.53Å; F45-P94 HydrophobicContact CD1-CG 4.43Å; F45-P94 HydrophobicContact CE1-CB 3.5Å; F45-P94 VanDerWaalsContact CE1-CB 3.5Å; F45-P94 HydrophobicContact CZ-CB 4.48Å; F45-F98 AromaticContact CE2-CD2 3.7Å; F45-F98 HydrophobicContact CE2-CD2 3.7Å; F45-F98 HydrophobicContact CE2-CE2 4.15Å; F45-F98 HydrophobicContact CZ-CB 3.95Å; F45-F98 AromaticContact CZ-CD2 3.57Å; F45-F98 HydrophobicContact CZ-CD2 3.57Å; F45-F98 HydrophobicContact CZ-CE2 4.29Å; F45-F98 AromaticContact CZ-CG 3.96Å; F45-F98 HydrophobicContact CZ-CG 3.96Å
46K87.8Confident86Confident102 Ų10255.3 Ų55.344%0.44328%0.275SS..Hα-helixtrans-63.9-44.9174-173.8172.5-176.6177.80112.1E42 E43 K44 A49 E50 F90 P94E42-K46 PolarHBondContact O-N 2.83Å; E43-K46 WeakPolarHBondContact O-CB 3.22Å; E43-K46 PolarHBondContact O-N 2.9Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K46-A49 PolarHBondContact O-N 2.88Å; K46-E50 WeakPolarHBondContact O-CB 3.39Å; K46-E50 PolarHBondContact O-N 2.89Å; K46-F90 HydrophobicContact CG-CE1 4.31Å; K46-P94 HydrophobicContact CB-CG 3.83Å; K46-P94 HydrophobicContact CG-CG 3.88Å
47E89.6Confident86.3Confident53 Ų5355.9 Ų55.925%0.24828%0.278CS..Hα-helixtrans-62.1-42175.6-70.3-178158.200112.7I8 E43 K44 A49 E50 A51I8-E47 HydrophobicContact CD1-CB 4.24Å; I8-E47 HydrophobicContact CG2-CB 4.05Å; E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 2.77Å; K44-E47 PolarHBondContact O-N 3.29Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-E50 PolarHBondContact O-N 2.96Å; E47-A51 WeakPolarHBondContact O-CB 3.47Å; E47-A51 PolarHBondContact O-N 2.87Å
48V91.2Very high86.6Confident2 Ų251.2 Ų51.21%0.01227%0.267CS..Hα-helixtrans-65-39177.8167.20000111.5I8 L9 Y24 Q27 A28 F31 K44 F45 Y52I8-V48 HydrophobicContact CG2-CG2 3.92Å; L9-V48 HydrophobicContact CD2-CG1 4.13Å; Y24-V48 HydrophobicContact CD2-CG1 3.65Å; Y24-V48 HydrophobicContact CE2-CG1 3.87Å; Q27-V48 HydrophobicContact CB-CB 4.37Å; Q27-V48 HydrophobicContact CB-CG1 3.63Å; Q27-V48 HydrophobicContact CB-CG2 3.73Å; Q27-V48 HydrophobicContact CG-CG2 4.46Å; A28-V48 HydrophobicContact CB-CG1 4.45Å; F31-V48 HydrophobicContact CD2-CG2 4.19Å; K44-V48 WeakPolarHBondContact O-CB 3.23Å; K44-V48 WeakPolarHBondContact O-CG2 3.32Å; K44-V48 PolarHBondContact O-N 3.04Å; F45-V48 PolarHBondContact O-N 2.86Å; V48-Y52 PolarHBondContact O-N 3.4Å; V48-Y52 VanDerWaalsContact O-N 3.12Å
49A88.8Confident86.6Confident0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-66.8-42.8174.700000112.3F45 K46 E47 Y52 E53 F90 P94 T97F45-A49 WeakPolarHBondContact O-CB 3.46Å; F45-A49 PolarHBondContact O-N 3.31Å; K46-A49 PolarHBondContact O-N 2.88Å; E47-A49 VanDerWaalsContact C-N 3.34Å; A49-Y52 PolarHBondContact O-N 2.85Å; A49-E53 PolarHBondContact O-N 2.98Å; A49-F90 HydrophobicContact CB-CZ 4.47Å; A49-P94 HydrophobicContact CB-CB 3.81Å; A49-T97 HydrophobicContact CB-CG2 4.39Å
50E88.9Confident87Confident9 Ų951.3 Ų51.34%0.04225%0.248CC..Hα-helixtrans-61.1-47.5175.4-169.6-176.3172.800111.4K3 Y5 K46 E47 Y52 E53 V54 F90K3-E50 IonicContact NZ-OE2 2.63Å; K3-E50 PolarHBondContact NZ-OE2 3.31Å; Y5-E50 HydrophobicContact CE1-CB 4.34Å; Y5-E50 HydrophobicContact CE1-CG 3.79Å; Y5-E50 PolarHBondContact OH-OE1 2.98Å; K46-E50 WeakPolarHBondContact O-CB 3.39Å; K46-E50 PolarHBondContact O-N 2.89Å; E47-E50 PolarHBondContact O-N 2.96Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.76Å; E50-E53 PolarHBondContact O-N 2.83Å; E50-V54 PolarHBondContact O-N 2.93Å; E50-V54 VanDerWaalsContact O-N 3.17Å; E50-F90 HydrophobicContact CB-CD2 4.1Å; E50-F90 HydrophobicContact CB-CE2 3.75Å; E50-F90 HydrophobicContact CB-CZ 3.99Å; E50-F90 HydrophobicContact CG-CD2 3.9Å; E50-F90 HydrophobicContact CG-CE2 4.09Å; E50-F90 HydrophobicContact CG-CG 4.26Å
51A91Very high87.2Confident0 Ų047.1 Ų47.10%023%0.227CC..Hα-helixtrans-59.1-44.4178.300000112.3Y5 I8 L9 E47 L55Y5-A51 VanDerWaalsContact CD1-CA 3.44Å; Y5-A51 HydrophobicContact CD1-CB 3.61Å; Y5-A51 HydrophobicContact CG-CB 3.97Å; I8-A51 HydrophobicContact CB-CB 4.25Å; I8-A51 HydrophobicContact CG2-CB 3.93Å; L9-A51 HydrophobicContact CD1-CB 4.34Å; L9-A51 HydrophobicContact CD2-CB 4.17Å; L9-A51 HydrophobicContact CG-CB 3.88Å; E47-A51 WeakPolarHBondContact O-CB 3.47Å; E47-A51 PolarHBondContact O-N 2.87Å; A51-L55 VanDerWaalsContact O-CB 3.29Å; A51-L55 WeakPolarHBondContact O-CB 3.39Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.1Å
52Y90.2Very high87.4Confident30 Ų3052.6 Ų52.612%0.11825%0.253CS..Hα-helixtrans-68.2-39.4178.7178.9-103.5000112.6I20 K21 Y24 V48 A49 E50 V54 L55 S56 T97 F101I20-Y52 HydrophobicContact CG2-CD2 3.89Å; I20-Y52 HydrophobicContact CG2-CE2 4.16Å; K21-Y52 HydrophobicContact CG-CE2 4.01Å; Y24-Y52 HydrophobicContact CD1-CD1 4.08Å; Y24-Y52 HydrophobicContact CD1-CD2 4.04Å; Y24-Y52 HydrophobicContact CD1-CE1 4.35Å; Y24-Y52 HydrophobicContact CD1-CE2 4.3Å; Y24-Y52 AromaticContact CD1-CG 3.93Å; Y24-Y52 HydrophobicContact CD1-CG 3.93Å; Y24-Y52 HydrophobicContact CD2-CD1 4.19Å; Y24-Y52 HydrophobicContact CD2-CD2 4.1Å; Y24-Y52 AromaticContact CD2-CG 3.58Å; Y24-Y52 HydrophobicContact CD2-CG 3.58Å; Y24-Y52 HydrophobicContact CE1-CD1 4.19Å; Y24-Y52 HydrophobicContact CE1-CG 4.41Å; Y24-Y52 HydrophobicContact CE2-CD1 4.28Å; Y24-Y52 HydrophobicContact CE2-CG 4.08Å; Y24-Y52 HydrophobicContact CG-CD1 4.07Å; Y24-Y52 AromaticContact CG-CD2 3.56Å; Y24-Y52 HydrophobicContact CG-CD2 3.56Å; Y24-Y52 HydrophobicContact CG-CE2 4.23Å; Y24-Y52 AromaticContact CG-CG 3.46Å; Y24-Y52 HydrophobicContact CG-CG 3.46Å; Y24-Y52 VanDerWaalsContact CG-CG 3.46Å; V48-Y52 PolarHBondContact O-N 3.4Å; V48-Y52 VanDerWaalsContact O-N 3.12Å; A49-Y52 PolarHBondContact O-N 2.85Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.76Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 2.94Å; Y52-L55 PolarHBondContact O-N 2.76Å; Y52-S56 WeakPolarHBondContact O-CB 3.27Å; Y52-S56 PolarHBondContact O-N 2.79Å; Y52-S56 PolarHBondContact O-OG 2.93Å; Y52-T97 HydrophobicContact CD1-CG2 3.85Å; Y52-F101 AromaticContact CE1-CD2 3.72Å; Y52-F101 HydrophobicContact CE1-CD2 3.72Å; Y52-F101 HydrophobicContact CE1-CE2 4.34Å; Y52-F101 HydrophobicContact CE2-CD2 4.13Å; Y52-F101 AromaticContact CE2-CE2 3.91Å; Y52-F101 HydrophobicContact CE2-CE2 3.91Å; Y52-F101 AromaticContact CZ-CD2 3.46Å; Y52-F101 VanDerWaalsContact CZ-CD2 3.46Å; Y52-F101 AromaticContact CZ-CE2 3.65Å; Y52-F101 WeakPolarHBondContact OH-CD2 3.46Å; Y52-F101 WeakPolarHBondContact OH-CE2 3.38Å
53E87.5Confident87.4Confident21 Ų2147.6 Ų47.610%0.09823%0.23CC..Hα-helixtrans-63.1-38.1179.6-164.1-158.2141.800112.5A49 E50 K60 Y88 F90 H91A49-E53 PolarHBondContact O-N 2.98Å; E50-E53 PolarHBondContact O-N 2.83Å; E53-K60 IonicContact OE1-NZ 2.94Å; E53-K60 PolarHBondContact OE1-NZ 3.08Å; E53-Y88 WeakPolarHBondContact OE1-CE2 3.07Å; E53-F90 WeakPolarHBondContact OE2-CD2 3.32Å; E53-F90 WeakPolarHBondContact OE2-CE2 3.49Å; E53-H91 IonicContact OE1-CE1 3.82Å; E53-H91 IonicContact OE1-ND1 2.59Å; E53-H91 IonicContact OE2-CE1 3.39Å; E53-H91 PolarHBondContact OE2-CE1 3.06Å; E53-H91 IonicContact OE2-ND1 3.65Å; E53-H91 PolarHBondContact OE2-ND1 2.85Å; E53-H91 IonicContact OE2-NE2 2.66Å
54V88.4Confident87.4Confident0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-73.3-48.6176.61730000110.9Y5 E50 Y52 S56 K60 R61 Y64 L72 Y88Y5-V54 HydrophobicContact CD2-CB 3.94Å; Y5-V54 HydrophobicContact CD2-CG1 3.79Å; Y5-V54 HydrophobicContact CD2-CG2 4.27Å; Y5-V54 HydrophobicContact CE2-CB 3.82Å; Y5-V54 HydrophobicContact CE2-CG1 3.76Å; Y5-V54 HydrophobicContact CE2-CG2 3.64Å; E50-V54 PolarHBondContact O-N 2.93Å; E50-V54 VanDerWaalsContact O-N 3.17Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 2.94Å; V54-S56 PolarHBondContact O-N 2.84Å; V54-K60 HydrophobicContact CG1-CB 4.22Å; V54-K60 WeakPolarHBondContact O-CB 3.21Å; V54-R61 PolarHBondContact O-N 3.26Å; V54-Y64 HydrophobicContact CG1-CD2 4.45Å; V54-Y64 HydrophobicContact CG1-CG 4.02Å; V54-L72 HydrophobicContact CG1-CD1 3.7Å; V54-L72 HydrophobicContact CG1-CD2 4.4Å; V54-L72 HydrophobicContact CG2-CD1 3.99Å; V54-L72 HydrophobicContact CG2-CD2 4.38Å; V54-Y88 HydrophobicContact CG2-CE1 4.3Å; V54-Y88 HydrophobicContact CG2-CE2 4.31Å; V54-Y88 WeakPolarHBondContact CG2-OH 2.78Å
55L90.1Very high87.4Confident1 Ų142.2 Ų42.21%0.00521%0.208CC..Hα-helixtrans-77.2-19.6-172.8-65.7176.4000113.8Y6 L9 I20 A51 Y52 R61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.21Å; Y6-L55 HydrophobicContact CD2-CD2 4.46Å; Y6-L55 HydrophobicContact CE1-CD1 4.33Å; Y6-L55 HydrophobicContact CE1-CD2 3.98Å; Y6-L55 HydrophobicContact CE2-CD2 3.91Å; Y6-L55 HydrophobicContact CG-CD1 4.44Å; L9-L55 HydrophobicContact CD1-CD1 3.72Å; I20-L55 HydrophobicContact CD1-CB 4.15Å; I20-L55 HydrophobicContact CG2-CB 4.02Å; A51-L55 VanDerWaalsContact O-CB 3.29Å; A51-L55 WeakPolarHBondContact O-CB 3.39Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.39Å; A51-L55 PolarHBondContact O-N 3.1Å; Y52-L55 PolarHBondContact O-N 2.76Å; L55-R61 HydrophobicContact CD2-CG 4.18Å; L55-Y64 HydrophobicContact CD2-CD1 3.92Å; L55-Y64 HydrophobicContact CD2-CE1 4.19Å
56S85.5Confident87.1Confident47 Ų4747.8 Ų47.833%0.32924%0.235SC..THydrogen-bonded Turntrans-82.7-17.1178.162.30000114.4Y52 V54Y52-S56 WeakPolarHBondContact O-CB 3.27Å; Y52-S56 PolarHBondContact O-N 2.79Å; Y52-S56 PolarHBondContact O-OG 2.93Å; V54-S56 PolarHBondContact O-N 2.84Å
57D84.9Confident86.7Confident55 Ų5549 Ų4929%0.29424%0.24SC..SBendtrans-99.1116.7174.7-176-33.5000109.3K59 K60 R61D57-K59 PolarHBondContact O-N 3.33Å; D57-K59 VanDerWaalsContact O-N 3.11Å; D57-K59 WeakPolarHBondContact OD1-CB 3.44Å; D57-K59 PolarHBondContact OD1-N 3.1Å; D57-K60 HydrophobicContact CB-CB 4.04Å; D57-K60 HydrophobicContact CB-CD 3.92Å; D57-K60 HydrophobicContact CB-CG 3.91Å; D57-K60 PolarHBondContact O-N 2.94Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-R61 WeakPolarHBondContact O-CB 3.08Å; D57-R61 PolarHBondContact O-N 3.3Å
58P86Confident86.4Confident92 Ų9247.6 Ų47.660%0.59724%0.24SC*.Hα-helixtrans-52.5-36-178.5-2834.8000114E62P58-E62 WeakPolarHBondContact O-CB 3.31Å; P58-E62 PolarHBondContact O-N 2.83Å
59K83Confident85.8Confident147 Ų14748.6 Ų48.664%0.63925%0.245SC*.Hα-helixtrans-73.5-43-179.3-64.5-177.2179.3-177.90111.8D57 R61 E62 I63D57-K59 PolarHBondContact O-N 3.33Å; D57-K59 VanDerWaalsContact O-N 3.11Å; D57-K59 WeakPolarHBondContact OD1-CB 3.44Å; D57-K59 PolarHBondContact OD1-N 3.1Å; K59-R61 VanDerWaalsContact C-N 3.34Å; K59-E62 PolarHBondContact O-N 2.92Å; K59-I63 WeakPolarHBondContact O-CG1 3.48Å; K59-I63 PolarHBondContact O-N 3.08Å
60K85.9Confident84.8Confident30 Ų3055.2 Ų55.213%0.1328%0.276CS..Hα-helixtrans-68.4-38.4178.1-63.3-178.2-170.9171.30110.8E53 V54 D57 I63 Y64 L72 F86 Y88E53-K60 IonicContact OE1-NZ 2.94Å; E53-K60 PolarHBondContact OE1-NZ 3.08Å; V54-K60 HydrophobicContact CG1-CB 4.22Å; V54-K60 WeakPolarHBondContact O-CB 3.21Å; D57-K60 HydrophobicContact CB-CB 4.04Å; D57-K60 HydrophobicContact CB-CD 3.92Å; D57-K60 HydrophobicContact CB-CG 3.91Å; D57-K60 PolarHBondContact O-N 2.94Å; D57-K60 VanDerWaalsContact O-N 3.12Å; K60-I63 PolarHBondContact O-N 2.89Å; K60-Y64 VanDerWaalsContact O-CB 3.31Å; K60-Y64 WeakPolarHBondContact O-CB 3.41Å; K60-Y64 PolarHBondContact O-N 2.84Å; K60-L72 HydrophobicContact CB-CD2 4.38Å; K60-F86 HydrophobicContact CG-CZ 4.44Å; K60-Y88 HydrophobicContact CD-CD2 3.98Å; K60-Y88 HydrophobicContact CD-CE2 3.87Å
61R88Confident83.8Confident35 Ų3555.8 Ų55.813%0.13228%0.284CS..Hα-helixtrans-59.9-46.2174.4-178.1178.3177.9170.84.9111.4Y6 A15 D17 I20 V54 L55 D57 K59 I63 Y64 D65Y6-R61 PolarHBondContact OH-NE 2.52Å; A15-R61 PolarHBondContact O-NH1 2.85Å; A15-R61 VanDerWaalsContact O-NH1 3.09Å; A15-R61 PolarHBondContact O-NH2 3.37Å; D17-R61 IonicContact OD1-NH1 3.6Å; I20-R61 VanDerWaalsContact CD1-NH1 3.32Å; V54-R61 PolarHBondContact O-N 3.26Å; L55-R61 HydrophobicContact CD2-CG 4.18Å; D57-R61 WeakPolarHBondContact O-CB 3.08Å; D57-R61 PolarHBondContact O-N 3.3Å; K59-R61 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 2.8Å; R61-Y64 PolarHBondContact O-N 2.98Å; R61-D65 IonicContact NE-OD2 3.75Å; R61-D65 WeakPolarHBondContact O-CB 3.12Å; R61-D65 PolarHBondContact O-N 2.78Å
62E84.8Confident82.6Confident117 Ų11756.2 Ų56.255%0.54729%0.286SS..Hα-helixtrans-60.5-46.5177.3-175.9175.9-16600112.1P58 K59 Y64 D65 Q66P58-E62 WeakPolarHBondContact O-CB 3.31Å; P58-E62 PolarHBondContact O-N 2.83Å; K59-E62 PolarHBondContact O-N 2.92Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 2.97Å; E62-D65 PolarHBondContact O-N 3.25Å; E62-Q66 WeakPolarHBondContact O-CG 3.38Å; E62-Q66 PolarHBondContact O-N 3.47Å
63I82.4Confident81.3Confident44 Ų4461.1 Ų61.123%0.22631%0.308CS..Hα-helixtrans-61.3-43.4176.8-65.3165.8000110.8K59 K60 R61 Q66 F67 L72 F86K59-I63 WeakPolarHBondContact O-CG1 3.48Å; K59-I63 PolarHBondContact O-N 3.08Å; K60-I63 PolarHBondContact O-N 2.89Å; R61-I63 PolarHBondContact O-N 2.8Å; I63-Q66 PolarHBondContact O-N 2.98Å; I63-F67 HydrophobicContact CG2-CD2 4.37Å; I63-F67 PolarHBondContact O-N 3.4Å; I63-L72 HydrophobicContact CG2-CG 4.43Å; I63-F86 HydrophobicContact CD1-CD1 3.96Å; I63-F86 HydrophobicContact CD1-CE1 3.92Å
64Y86.8Confident79.5Confident13 Ų1362 Ų625%0.05132%0.323CS..Hα-helixtrans-65.1-41.7177.5176.2-105.4000112.8K3 D4 Y5 Y6 V54 L55 K60 R61 E62 Q66 G68 L72K3-Y64 PolarHBondContact O-OH 2.81Å; D4-Y64 VanDerWaalsContact CA-OH 3.24Å; D4-Y64 WeakPolarHBondContact CA-OH 3.28Å; D4-Y64 PolarHBondContact OD1-OH 2.84Å; Y5-Y64 HydrophobicContact CD2-CD1 4.12Å; Y5-Y64 AromaticContact CD2-CD2 3.41Å; Y5-Y64 HydrophobicContact CD2-CD2 3.41Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.41Å; Y5-Y64 AromaticContact CD2-CE1 3.93Å; Y5-Y64 HydrophobicContact CD2-CE1 3.93Å; Y5-Y64 AromaticContact CD2-CE2 3.19Å; Y5-Y64 HydrophobicContact CD2-CE2 3.19Å; Y5-Y64 AromaticContact CD2-CG 3.88Å; Y5-Y64 HydrophobicContact CD2-CG 3.88Å; Y5-Y64 AromaticContact CD2-CZ 3.5Å; Y5-Y64 VanDerWaalsContact CD2-CZ 3.5Å; Y5-Y64 AromaticContact CE2-CD2 3.58Å; Y5-Y64 HydrophobicContact CE2-CD2 3.58Å; Y5-Y64 AromaticContact CE2-CE2 3.59Å; Y5-Y64 HydrophobicContact CE2-CE2 3.59Å; Y5-Y64 HydrophobicContact CE2-CG 4.31Å; Y5-Y64 HydrophobicContact CG-CE1 4.43Å; Y5-Y64 AromaticContact CG-CE2 3.99Å; Y5-Y64 HydrophobicContact CG-CE2 3.99Å; Y5-Y64 AromaticContact CG-CZ 3.94Å; Y5-Y64 PolarHBondContact N-OH 2.89Å; Y6-Y64 AromaticContact CD2-CE1 3.72Å; Y6-Y64 HydrophobicContact CD2-CE1 3.72Å; Y6-Y64 HydrophobicContact CE2-CD1 4.02Å; Y6-Y64 AromaticContact CE2-CE1 3.57Å; Y6-Y64 HydrophobicContact CE2-CE1 3.57Å; V54-Y64 HydrophobicContact CG1-CD2 4.45Å; V54-Y64 HydrophobicContact CG1-CG 4.02Å; L55-Y64 HydrophobicContact CD2-CD1 3.92Å; L55-Y64 HydrophobicContact CD2-CE1 4.19Å; K60-Y64 VanDerWaalsContact O-CB 3.31Å; K60-Y64 WeakPolarHBondContact O-CB 3.41Å; K60-Y64 PolarHBondContact O-N 2.84Å; R61-Y64 PolarHBondContact O-N 2.98Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 2.97Å; Y64-Q66 VanDerWaalsContact C-N 3.25Å; Y64-Q66 PolarHBondContact O-N 3.46Å; Y64-G68 WeakPolarHBondContact O-CA 3.34Å; Y64-G68 PolarHBondContact O-N 2.76Å; Y64-L72 HydrophobicContact CD2-CD1 3.8Å; Y64-L72 HydrophobicContact CG-CD1 4.27Å
65D87.2Confident77.4Confident84 Ų8464.6 Ų64.645%0.44935%0.35SS..Hα-helixtrans-65.8-31.6178.8-73.1-21000111.2Y6 R61 E62Y6-D65 WeakPolarHBondContact CE2-OD1 3.44Å; Y6-D65 PolarHBondContact OH-OD1 3.31Å; Y6-D65 PolarHBondContact OH-OD2 3.39Å; R61-D65 IonicContact NE-OD2 3.75Å; R61-D65 WeakPolarHBondContact O-CB 3.12Å; R61-D65 PolarHBondContact O-N 2.78Å; E62-D65 PolarHBondContact O-N 3.25Å
66Q82.1Confident74.7Confident121 Ų12169 Ų6957%0.56539%0.386SS*.Hα-helixtrans-83.1-42.9177.8-71.7-178.5500114E62 I63 Y64E62-Q66 WeakPolarHBondContact O-CG 3.38Å; E62-Q66 PolarHBondContact O-N 3.47Å; I63-Q66 PolarHBondContact O-N 2.98Å; Y64-Q66 VanDerWaalsContact C-N 3.25Å; Y64-Q66 PolarHBondContact O-N 3.46Å
67F79.4Confident72.1Confident127 Ų12771 Ų7156%0.55742%0.415SS*.Hα-helixtrans-124.90.5-166.4-58.8-76.1000114.3I63 G71I63-F67 HydrophobicContact CG2-CD2 4.37Å; I63-F67 PolarHBondContact O-N 3.4Å; F67-G71 PolarHBondContact O-N 3.43Å
68G83.1Confident69.6Low25 Ų2571.5 Ų71.526%0.25843%0.433SS..Hα-helixtrans65.2-165.3-176.200000113.7Y64 E70 G71Y64-G68 WeakPolarHBondContact O-CA 3.34Å; Y64-G68 PolarHBondContact O-N 2.76Å; G68-E70 PolarHBondContact O-N 2.93Å; G68-G71 PolarHBondContact O-N 2.9Å
69E78.2Confident66.7Low22 Ų2273.2 Ų73.210%0.10344%0.442CS..Hα-helixtrans-58.5-33.4175.8-172.3-169.2-179.400112G2 K3 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.35Å; K3-E69 WeakPolarHBondContact CG-OE2 3.48Å; K3-E69 PolarHBondContact N-OE2 2.84Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.49Å; E69-L72 WeakPolarHBondContact O-CB 3.46Å; E69-L72 PolarHBondContact O-N 3Å; E69-L72 VanDerWaalsContact O-N 3.16Å; E69-K73 HydrophobicContact CG-CD 4.29Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 VanDerWaalsContact O-N 3.15Å; E69-K73 WeakPolarHBondContact OE1-CE 3.3Å; E69-K73 IonicContact OE1-NZ 3.02Å; E69-K73 PolarHBondContact OE1-NZ 3.16Å
70E68.3Low64.1Low140 Ų14073.9 Ų73.965%0.65445%0.452SS*.Hα-helixtrans-66.5-33-178.4-66.2-170.3-179.900112.1G68 L72 K73 G74G68-E70 PolarHBondContact O-N 2.93Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-K73 PolarHBondContact O-N 3.16Å; E70-G74 WeakPolarHBondContact O-CA 3.44Å; E70-G74 PolarHBondContact O-N 3.48Å
71G67.4Low61.3Low21 Ų2176 Ų7622%0.21648%0.482CS..Hα-helixtrans-76-17.7173.700000115.2F67 G68 E69F67-G71 PolarHBondContact O-N 3.43Å; G68-G71 PolarHBondContact O-N 2.9Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 3.49Å
72L65.5Low58.5Low8 Ų884.2 Ų84.24%0.04252%0.522CS..Hα-helixtrans-78.8-37.8170.8-80.4151.5000111.5Y5 V54 K60 I63 Y64 E69 E70 Y88Y5-L72 HydrophobicContact CE2-CD1 3.83Å; V54-L72 HydrophobicContact CG1-CD1 3.7Å; V54-L72 HydrophobicContact CG1-CD2 4.4Å; V54-L72 HydrophobicContact CG2-CD1 3.99Å; V54-L72 HydrophobicContact CG2-CD2 4.38Å; K60-L72 HydrophobicContact CB-CD2 4.38Å; I63-L72 HydrophobicContact CG2-CG 4.43Å; Y64-L72 HydrophobicContact CD2-CD1 3.8Å; Y64-L72 HydrophobicContact CG-CD1 4.27Å; E69-L72 WeakPolarHBondContact O-CB 3.46Å; E69-L72 PolarHBondContact O-N 3Å; E69-L72 VanDerWaalsContact O-N 3.16Å; E70-L72 VanDerWaalsContact C-N 3.34Å; L72-Y88 HydrophobicContact CB-CD1 3.95Å; L72-Y88 HydrophobicContact CB-CE1 4.48Å; L72-Y88 HydrophobicContact CD2-CD1 3.9Å; L72-Y88 HydrophobicContact CD2-CD2 4.27Å; L72-Y88 HydrophobicContact CD2-CE1 4.32Å; L72-Y88 HydrophobicContact CD2-CG 3.85Å; L72-Y88 WeakPolarHBondContact O-CB 3.28Å
73K63.5Low55.8Low133 Ų13382.1 Ų82.158%0.57853%0.532SS*.Hα-helixtrans-90.2-36.6-176.7-72.2-179.3174.6172.40113.2E69 E70 G75E69-K73 HydrophobicContact CG-CD 4.29Å; E69-K73 PolarHBondContact O-N 3.16Å; E69-K73 VanDerWaalsContact O-N 3.15Å; E69-K73 WeakPolarHBondContact OE1-CE 3.3Å; E69-K73 IonicContact OE1-NZ 3.02Å; E69-K73 PolarHBondContact OE1-NZ 3.16Å; E70-K73 PolarHBondContact O-N 3.16Å; K73-G75 PolarHBondContact O-N 2.92Å
74G50.1Low53.4Low39 Ų3984 Ų8440%0.40256%0.562SS.*SBendtrans-88.2102173.300000108.7E70 A76E70-G74 WeakPolarHBondContact O-CA 3.44Å; E70-G74 PolarHBondContact O-N 3.48Å; G74-A76 PolarHBondContact O-N 2.72Å
75G43Very low50.9Low56 Ų5689.6 Ų89.658%0.57760%0.598SS**  trans-50.9117.9165.700000108K73 G77K73-G75 PolarHBondContact O-N 2.92Å; G75-G77 PolarHBondContact O-N 3.05Å
76A34.7Very low48.7Very low92 Ų9290.9 Ų90.976%0.7660%0.6SS**  trans-53.3104.9-176.600000109.2G74 G78G74-A76 PolarHBondContact O-N 2.72Å; A76-G78 PolarHBondContact O-N 2.85Å
77G30.3Very low46.9Very low90 Ų9095.3 Ų95.393%0.92861%0.611SS**  trans-70.386.5166.200000107.7G75G75-G77 PolarHBondContact O-N 3.05Å
78G31.8Very low45.5Very low65 Ų6590.5 Ų90.567%0.6759%0.589SS**  trans-115.9118.1168.800000108.4A76A76-G78 PolarHBondContact O-N 2.85Å
79T26.4Very low44Very low129 Ų12994.7 Ų94.779%0.79161%0.61SS**  trans-54.8142.6172.6380000111.9
80D27.6Very low43.1Very low161 Ų16195.3 Ų95.386%0.86161%0.613SS**SBendtrans77.7116.6164.5-55.7-36.6000119.2
81G27.6Very low42.6Very low73 Ų7393.5 Ų93.575%0.75360%0.604SS**SBendtrans97.9106.4148.200000117.4
82Q27.7Very low42.3Very low208 Ų20894.3 Ų94.397%0.97261%0.612SS**  trans34.891.7149.6-69.31768.500118
83G28Very low42.4Very low74 Ų7497.4 Ų97.476%0.76363%0.628SS**  trans173.6134.3165.600000114.1
84G31.9Very low42.9Very low82 Ų8291.9 Ų91.985%0.84561%0.606SS**  trans-58.7135.9-169.600000115.5F86G84-F86 PolarHBondContact O-N 2.83Å
85T34.9Very low44.3Very low131 Ų13194.1 Ų94.180%0.80461%0.606SS**  trans-63.8106.5179.8-48.80000112R87T85-R87 PolarHBondContact O-N 2.84Å
86F40.9Very low45.9Very low112 Ų11293.5 Ų93.549%0.49160%0.595SS.*  trans-80.5113.2168.6-164.9-96.2000109.3K60 I63 G84K60-F86 HydrophobicContact CG-CZ 4.44Å; I63-F86 HydrophobicContact CD1-CD1 3.96Å; I63-F86 HydrophobicContact CD1-CE1 3.92Å; G84-F86 PolarHBondContact O-N 2.83Å
87R45.3Very low47.8Very low213 Ų21389.6 Ų89.680%0.80456%0.562SS**  trans-120.6102.1178.6-147.7178.3-178.3179.60.5108.4T85 T89T85-R87 PolarHBondContact O-N 2.84Å; R87-T89 PolarHBondContact O-N 2.86Å
88Y48.8Very low50.1Low27 Ų2785.4 Ų85.411%0.10652%0.518CS..  trans-74.6125.8176.3170.4-103.4000109.7E53 V54 K60 L72 F90E53-Y88 WeakPolarHBondContact OE1-CE2 3.07Å; V54-Y88 HydrophobicContact CG2-CE1 4.3Å; V54-Y88 HydrophobicContact CG2-CE2 4.31Å; V54-Y88 WeakPolarHBondContact CG2-OH 2.78Å; K60-Y88 HydrophobicContact CD-CD2 3.98Å; K60-Y88 HydrophobicContact CD-CE2 3.87Å; L72-Y88 HydrophobicContact CB-CD1 3.95Å; L72-Y88 HydrophobicContact CB-CE1 4.48Å; L72-Y88 HydrophobicContact CD2-CD1 3.9Å; L72-Y88 HydrophobicContact CD2-CD2 4.27Å; L72-Y88 HydrophobicContact CD2-CE1 4.32Å; L72-Y88 HydrophobicContact CD2-CG 3.85Å; L72-Y88 WeakPolarHBondContact O-CB 3.28Å; Y88-F90 HydrophobicContact CE1-CB 4.15Å
89T52.4Low52.3Low113 Ų11384.1 Ų84.169%0.69350%0.502SS*.  trans-126.3108.1169.7-44.20000106.4R87 H91R87-T89 PolarHBondContact O-N 2.86Å; T89-H91 PolarHBondContact O-N 3.37Å
90F58.6Low54.7Low35 Ų3582.3 Ų82.315%0.15450%0.499CS..  trans-53.1121.8167.9-179.3-112.8000107.4K46 A49 E50 E53 Y88 G92K46-F90 HydrophobicContact CG-CE1 4.31Å; A49-F90 HydrophobicContact CB-CZ 4.47Å; E50-F90 HydrophobicContact CB-CD2 4.1Å; E50-F90 HydrophobicContact CB-CE2 3.75Å; E50-F90 HydrophobicContact CB-CZ 3.99Å; E50-F90 HydrophobicContact CG-CD2 3.9Å; E50-F90 HydrophobicContact CG-CE2 4.09Å; E50-F90 HydrophobicContact CG-CG 4.26Å; E53-F90 WeakPolarHBondContact OE2-CD2 3.32Å; E53-F90 WeakPolarHBondContact OE2-CE2 3.49Å; Y88-F90 HydrophobicContact CE1-CB 4.15Å; F90-G92 VanDerWaalsContact CD1-CA 3.43Å; F90-G92 VanDerWaalsContact CD1-N 3.33Å; F90-G92 VanDerWaalsContact CE1-CA 3.47Å; F90-G92 PolarHBondContact O-N 2.85Å
91H57.8Low57.1Low102 Ų10276.6 Ų76.647%0.47247%0.467SS..  trans-62.5-6.6-177.841-86.4000113.2E53 T89 D93 T97E53-H91 IonicContact OE1-CE1 3.82Å; E53-H91 IonicContact OE1-ND1 2.59Å; E53-H91 IonicContact OE2-CE1 3.39Å; E53-H91 PolarHBondContact OE2-CE1 3.06Å; E53-H91 IonicContact OE2-ND1 3.65Å; E53-H91 PolarHBondContact OE2-ND1 2.85Å; E53-H91 IonicContact OE2-NE2 2.66Å; T89-H91 PolarHBondContact O-N 3.37Å; H91-D93 PolarHBondContact O-N 3.45Å; H91-D93 VanDerWaalsContact O-N 3.17Å; H91-T97 PolarHBondContact NE2-OG1 2.81Å
92G60.6Low59.5Low37 Ų3774.4 Ų74.438%0.38144%0.437SS..SBendtrans82.1-6.816600000113.9F90 P94F90-G92 VanDerWaalsContact CD1-CA 3.43Å; F90-G92 VanDerWaalsContact CD1-N 3.33Å; F90-G92 VanDerWaalsContact CE1-CA 3.47Å; F90-G92 PolarHBondContact O-N 2.85Å; G92-P94 WeakPolarHBondContact O-CD 3.22Å
93D67.7Low61.4Low73 Ų7368 Ų6839%0.3943%0.427SS..  trans-110.899.1-176.6-171.41.4000112.1H91 H95 A96 T97H91-D93 PolarHBondContact O-N 3.45Å; H91-D93 VanDerWaalsContact O-N 3.17Å; D93-H95 PolarHBondContact O-N 3.45Å; D93-H95 VanDerWaalsContact OD1-CB 3.3Å; D93-H95 WeakPolarHBondContact OD1-CB 3.22Å; D93-H95 IonicContact OD1-CD2 3.81Å; D93-H95 IonicContact OD1-CG 2.83Å; D93-H95 PolarHBondContact OD1-N 2.83Å; D93-A96 HydrophobicContact CB-CB 4.03Å; D93-A96 PolarHBondContact O-N 2.8Å; D93-T97 PolarHBondContact O-N 3.5Å
94P75.8Confident63.3Low17 Ų1765.9 Ų65.911%0.1140%0.404CS..Hα-helixtrans-59.4-28.5174.8-23.636000113F45 K46 A49 G92 F98F45-P94 HydrophobicContact CD1-CB 3.53Å; F45-P94 HydrophobicContact CD1-CG 4.43Å; F45-P94 HydrophobicContact CE1-CB 3.5Å; F45-P94 VanDerWaalsContact CE1-CB 3.5Å; F45-P94 HydrophobicContact CZ-CB 4.48Å; K46-P94 HydrophobicContact CB-CG 3.83Å; K46-P94 HydrophobicContact CG-CG 3.88Å; A49-P94 HydrophobicContact CB-CB 3.81Å; G92-P94 WeakPolarHBondContact O-CD 3.22Å; P94-F98 VanDerWaalsContact O-CB 3.3Å; P94-F98 WeakPolarHBondContact O-CB 3.01Å; P94-F98 PolarHBondContact O-N 3.26Å
95H79Confident64.8Low87 Ų8764.4 Ų64.440%0.40338%0.381SS..Hα-helixtrans-73.6-30.3-179.9-65.8-74.2000112.2D93 F98 A99D93-H95 PolarHBondContact O-N 3.45Å; D93-H95 VanDerWaalsContact OD1-CB 3.3Å; D93-H95 WeakPolarHBondContact OD1-CB 3.22Å; D93-H95 IonicContact OD1-CD2 3.81Å; D93-H95 IonicContact OD1-CG 2.83Å; D93-H95 PolarHBondContact OD1-N 2.83Å; H95-F98 PolarHBondContact O-N 2.83Å; H95-A99 WeakPolarHBondContact O-CB 3.48Å; H95-A99 PolarHBondContact O-N 2.82Å
96A75.7Confident65.9Low42 Ų4261.1 Ų61.135%0.34736%0.359SS..Hα-helixtrans-66.8-46.6173.600000111.3D93 F98 A99 A100D93-A96 HydrophobicContact CB-CB 4.03Å; D93-A96 PolarHBondContact O-N 2.8Å; A96-F98 VanDerWaalsContact C-N 3.29Å; A96-F98 PolarHBondContact O-N 3.33Å; A96-A99 PolarHBondContact O-N 3.46Å; A96-A100 WeakPolarHBondContact O-CB 3.49Å; A96-A100 PolarHBondContact O-N 3.2Å
97T73.9Confident66.8Low11 Ų1156.3 Ų56.37%0.06734%0.339CS..Hα-helixtrans-60.9-41.6175.1-53.30000110.9A49 Y52 H91 D93 A100 F101A49-T97 HydrophobicContact CB-CG2 4.39Å; Y52-T97 HydrophobicContact CD1-CG2 3.85Å; H91-T97 PolarHBondContact NE2-OG1 2.81Å; D93-T97 PolarHBondContact O-N 3.5Å; T97-A100 PolarHBondContact O-N 3.3Å; T97-F101 WeakPolarHBondContact O-CB 3.25Å; T97-F101 PolarHBondContact O-N 2.7Å
98F79Confident67.4Low1 Ų149.5 Ų49.50%0.00432%0.315CS..Hα-helixtrans-64-46.9176.1-171.4-87.1000112.6Y24 A28 H32 F45 P94 H95 A96 A100 F101 F102 P107Y24-F98 VanDerWaalsContact OH-CA 3.31Å; Y24-F98 WeakPolarHBondContact OH-CA 3.41Å; Y24-F98 PolarHBondContact OH-N 2.96Å; A28-F98 HydrophobicContact CB-CD2 4.02Å; A28-F98 HydrophobicContact CB-CE2 3.99Å; H32-F98 AromaticContact CD2-CE2 3.59Å; H32-F98 AromaticContact CD2-CZ 3.5Å; H32-F98 AromaticContact NE2-CE1 3.9Å; H32-F98 AromaticContact NE2-CZ 3.82Å; F45-F98 AromaticContact CE2-CD2 3.7Å; F45-F98 HydrophobicContact CE2-CD2 3.7Å; F45-F98 HydrophobicContact CE2-CE2 4.15Å; F45-F98 HydrophobicContact CZ-CB 3.95Å; F45-F98 AromaticContact CZ-CD2 3.57Å; F45-F98 HydrophobicContact CZ-CD2 3.57Å; F45-F98 HydrophobicContact CZ-CE2 4.29Å; F45-F98 AromaticContact CZ-CG 3.96Å; F45-F98 HydrophobicContact CZ-CG 3.96Å; P94-F98 VanDerWaalsContact O-CB 3.3Å; P94-F98 WeakPolarHBondContact O-CB 3.01Å; P94-F98 PolarHBondContact O-N 3.26Å; H95-F98 PolarHBondContact O-N 2.83Å; A96-F98 VanDerWaalsContact C-N 3.29Å; A96-F98 PolarHBondContact O-N 3.33Å; F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-F101 PolarHBondContact O-N 3.39Å; F98-F102 HydrophobicContact CD1-CB 4.43Å; F98-F102 AromaticContact CD1-CD2 3.89Å; F98-F102 HydrophobicContact CD1-CD2 3.89Å; F98-F102 AromaticContact CD2-CD2 3.56Å; F98-F102 HydrophobicContact CD2-CD2 3.56Å; F98-F102 AromaticContact CD2-CE2 3.59Å; F98-F102 HydrophobicContact CD2-CE2 3.59Å; F98-F102 HydrophobicContact CE1-CB 4.16Å; F98-F102 AromaticContact CE1-CD2 3.71Å; F98-F102 HydrophobicContact CE1-CD2 3.71Å; F98-F102 HydrophobicContact CE1-CE2 4.41Å; F98-F102 HydrophobicContact CE1-CG 4.1Å; F98-F102 AromaticContact CE2-CD2 3.39Å; F98-F102 HydrophobicContact CE2-CD2 3.39Å; F98-F102 AromaticContact CE2-CE2 3.26Å; F98-F102 HydrophobicContact CE2-CE2 3.26Å; F98-F102 HydrophobicContact CE2-CG 4.36Å; F98-F102 HydrophobicContact CE2-CZ 4.14Å; F98-F102 AromaticContact CG-CD2 3.82Å; F98-F102 HydrophobicContact CG-CD2 3.82Å; F98-F102 HydrophobicContact CG-CE2 4.33Å; F98-F102 AromaticContact CZ-CD2 3.47Å; F98-F102 HydrophobicContact CZ-CD2 3.47Å; F98-F102 VanDerWaalsContact CZ-CD2 3.47Å; F98-F102 AromaticContact CZ-CE2 3.73Å; F98-F102 HydrophobicContact CZ-CE2 3.73Å; F98-F102 HydrophobicContact CZ-CG 4.04Å; F98-F102 HydrophobicContact CZ-CZ 4.45Å; F98-F102 WeakPolarHBondContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CD2 3.39Å; F98-F102 PolarHBondContact O-N 2.96Å; F98-P107 HydrophobicContact CE1-CB 4.24Å; F98-P107 HydrophobicContact CE1-CG 4.23Å; F98-P107 HydrophobicContact CZ-CB 3.64Å; F98-P107 HydrophobicContact CZ-CG 3.61Å
99A78.1Confident67.7Low39 Ų3955 Ų5532%0.32234%0.342SS..Hα-helixtrans-65.1-38.1179.300000111.8H95 A96 F101 G103 G104H95-A99 WeakPolarHBondContact O-CB 3.48Å; H95-A99 PolarHBondContact O-N 2.82Å; A96-A99 PolarHBondContact O-N 3.46Å; A99-F101 VanDerWaalsContact C-N 3.32Å; A99-G103 VanDerWaalsContact O-CA 3.23Å; A99-G103 WeakPolarHBondContact O-CA 3.11Å; A99-G103 PolarHBondContact O-N 3.3Å; A99-G104 PolarHBondContact O-N 2.92Å
100A77.2Confident67.7Low90 Ų9055 Ų5574%0.74434%0.337SS*.Hα-helixtrans-64.6-36.7173.800000112A96 T97 F98A96-A100 WeakPolarHBondContact O-CB 3.49Å; A96-A100 PolarHBondContact O-N 3.2Å; T97-A100 PolarHBondContact O-N 3.3Å; F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 PolarHBondContact O-N 3.21Å
101F78.9Confident67.2Low42 Ų4260.9 Ų60.918%0.18436%0.362CS..Hα-helixtrans-78.8-43.8-179.9-172.7-89.7000113.8K21 Y24 R25 Y52 T97 F98 A99K21-F101 HydrophobicContact CB-CE2 4.16Å; K21-F101 HydrophobicContact CB-CZ 4.36Å; K21-F101 HydrophobicContact CG-CE2 4.17Å; K21-F101 WeakPolarHBondContact O-CZ 3.21Å; Y24-F101 HydrophobicContact CD1-CB 4.28Å; Y24-F101 AromaticContact CD1-CD1 3.76Å; Y24-F101 HydrophobicContact CD1-CD1 3.76Å; Y24-F101 AromaticContact CD1-CD2 3.49Å; Y24-F101 HydrophobicContact CD1-CD2 3.49Å; Y24-F101 VanDerWaalsContact CD1-CD2 3.49Å; Y24-F101 AromaticContact CD1-CE1 3.86Å; Y24-F101 HydrophobicContact CD1-CE1 3.86Å; Y24-F101 AromaticContact CD1-CE2 3.6Å; Y24-F101 HydrophobicContact CD1-CE2 3.6Å; Y24-F101 AromaticContact CD1-CG 3.57Å; Y24-F101 HydrophobicContact CD1-CG 3.57Å; Y24-F101 AromaticContact CD1-CZ 3.78Å; Y24-F101 HydrophobicContact CD1-CZ 3.78Å; Y24-F101 HydrophobicContact CE1-CB 3.56Å; Y24-F101 AromaticContact CE1-CD1 3.65Å; Y24-F101 HydrophobicContact CE1-CD1 3.65Å; Y24-F101 AromaticContact CE1-CD2 3.68Å; Y24-F101 HydrophobicContact CE1-CD2 3.68Å; Y24-F101 HydrophobicContact CE1-CE1 4.22Å; Y24-F101 HydrophobicContact CE1-CE2 4.25Å; Y24-F101 AromaticContact CE1-CG 3.34Å; Y24-F101 HydrophobicContact CE1-CG 3.34Å; Y24-F101 HydrophobicContact CE1-CZ 4.49Å; R25-F101 HydrophobicContact CB-CE1 3.85Å; R25-F101 HydrophobicContact CB-CZ 4.04Å; R25-F101 HydrophobicContact CG-CE1 4.24Å; Y52-F101 AromaticContact CE1-CD2 3.72Å; Y52-F101 HydrophobicContact CE1-CD2 3.72Å; Y52-F101 HydrophobicContact CE1-CE2 4.34Å; Y52-F101 HydrophobicContact CE2-CD2 4.13Å; Y52-F101 AromaticContact CE2-CE2 3.91Å; Y52-F101 HydrophobicContact CE2-CE2 3.91Å; Y52-F101 AromaticContact CZ-CD2 3.46Å; Y52-F101 VanDerWaalsContact CZ-CD2 3.46Å; Y52-F101 AromaticContact CZ-CE2 3.65Å; Y52-F101 WeakPolarHBondContact OH-CD2 3.46Å; Y52-F101 WeakPolarHBondContact OH-CE2 3.38Å; T97-F101 WeakPolarHBondContact O-CB 3.25Å; T97-F101 PolarHBondContact O-N 2.7Å; F98-F101 PolarHBondContact O-N 3.39Å; A99-F101 VanDerWaalsContact C-N 3.32Å
102F76.6Confident66.7Low27 Ų2762.3 Ų62.312%0.11837%0.368CS..Hα-helixtrans-96.4-8.6-174.9-72.8-81.2000113.5Y24 R25 A28 L29 F98 G104 P107 I110Y24-F102 HydrophobicContact CE1-CE2 4.21Å; R25-F102 HydrophobicContact CB-CZ 4.43Å; R25-F102 HydrophobicContact CG-CE1 3.96Å; R25-F102 HydrophobicContact CG-CZ 3.93Å; A28-F102 HydrophobicContact CB-CE2 4Å; A28-F102 HydrophobicContact CB-CZ 4.44Å; L29-F102 HydrophobicContact CD2-CE1 4.3Å; L29-F102 HydrophobicContact CD2-CZ 4.23Å; L29-F102 HydrophobicContact CG-CE1 4.41Å; L29-F102 HydrophobicContact CG-CZ 4.09Å; F98-F102 HydrophobicContact CD1-CB 4.43Å; F98-F102 AromaticContact CD1-CD2 3.89Å; F98-F102 HydrophobicContact CD1-CD2 3.89Å; F98-F102 AromaticContact CD2-CD2 3.56Å; F98-F102 HydrophobicContact CD2-CD2 3.56Å; F98-F102 AromaticContact CD2-CE2 3.59Å; F98-F102 HydrophobicContact CD2-CE2 3.59Å; F98-F102 HydrophobicContact CE1-CB 4.16Å; F98-F102 AromaticContact CE1-CD2 3.71Å; F98-F102 HydrophobicContact CE1-CD2 3.71Å; F98-F102 HydrophobicContact CE1-CE2 4.41Å; F98-F102 HydrophobicContact CE1-CG 4.1Å; F98-F102 AromaticContact CE2-CD2 3.39Å; F98-F102 HydrophobicContact CE2-CD2 3.39Å; F98-F102 AromaticContact CE2-CE2 3.26Å; F98-F102 HydrophobicContact CE2-CE2 3.26Å; F98-F102 HydrophobicContact CE2-CG 4.36Å; F98-F102 HydrophobicContact CE2-CZ 4.14Å; F98-F102 AromaticContact CG-CD2 3.82Å; F98-F102 HydrophobicContact CG-CD2 3.82Å; F98-F102 HydrophobicContact CG-CE2 4.33Å; F98-F102 AromaticContact CZ-CD2 3.47Å; F98-F102 HydrophobicContact CZ-CD2 3.47Å; F98-F102 VanDerWaalsContact CZ-CD2 3.47Å; F98-F102 AromaticContact CZ-CE2 3.73Å; F98-F102 HydrophobicContact CZ-CE2 3.73Å; F98-F102 HydrophobicContact CZ-CG 4.04Å; F98-F102 HydrophobicContact CZ-CZ 4.45Å; F98-F102 WeakPolarHBondContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CD2 3.39Å; F98-F102 PolarHBondContact O-N 2.96Å; F102-G104 VanDerWaalsContact C-N 3.3Å; F102-G104 PolarHBondContact O-N 3.41Å; F102-P107 HydrophobicContact CD1-CB 4.43Å; F102-I110 WeakPolarHBondContact O-CD1 3.25Å
103G67.8Low66.1Low73 Ų7363.8 Ų63.875%0.75338%0.383SS*.SBendtrans75.115.3-177.600000114.4A99A99-G103 VanDerWaalsContact O-CA 3.23Å; A99-G103 WeakPolarHBondContact O-CA 3.11Å; A99-G103 PolarHBondContact O-N 3.3Å
104G68.4Low65.1Low29 Ų2970.6 Ų70.630%0.29940%0.403SS..SBendtrans175.1170-179.800000113A99 F102 N106A99-G104 PolarHBondContact O-N 2.92Å; F102-G104 VanDerWaalsContact C-N 3.3Å; F102-G104 PolarHBondContact O-N 3.41Å; G104-N106 VanDerWaalsContact C-N 3.33Å
105S62.4Low63.5Low52 Ų5279.7 Ų79.736%0.36444%0.435SS..SBendtrans-81.4-10.2-179.164.80000114
106N60Low61.8Low62 Ų6283.7 Ų83.733%0.33246%0.456SS..  trans-118.6104.8-179.2-82.5-2.6000110G104 F108 E109G104-N106 VanDerWaalsContact C-N 3.33Å; N106-F108 PolarHBondContact O-N 2.9Å; N106-F108 VanDerWaalsContact O-N 3.14Å; N106-E109 HydrophobicContact CB-CG 4.04Å; N106-E109 PolarHBondContact O-N 3.29Å
107P59.3Low60.1Low11 Ų1185.1 Ų85.17%0.07148%0.475CS..THydrogen-bonded Turntrans-63.7-23.4179.524.3-30.8000112.8L29 F98 F102L29-P107 HydrophobicContact CD2-CB 3.33Å; L29-P107 HydrophobicContact CD2-CG 3.77Å; F98-P107 HydrophobicContact CE1-CB 4.24Å; F98-P107 HydrophobicContact CE1-CG 4.23Å; F98-P107 HydrophobicContact CZ-CB 3.64Å; F98-P107 HydrophobicContact CZ-CG 3.61Å; F102-P107 HydrophobicContact CD1-CB 4.43Å
108F57.3Low58.3Low70 Ų7088.7 Ų88.731%0.30751%0.514SS..THydrogen-bonded Turntrans-82.6-16.2-175.2-59.9-69.6000112.9K35 N106 I110 F111 F112K35-F108 HydrophobicContact CD-CZ 4.4Å; N106-F108 PolarHBondContact O-N 2.9Å; N106-F108 VanDerWaalsContact O-N 3.14Å; F108-I110 PolarHBondContact O-N 2.66Å; F108-F111 PolarHBondContact O-N 2.59Å; F108-F111 VanDerWaalsContact O-N 3.12Å; F108-F112 HydrophobicContact CB-CD2 4.37Å; F108-F112 WeakPolarHBondContact O-CB 3.1Å; F108-F112 PolarHBondContact O-N 2.76Å
109E55.3Low56.3Low141 Ų14192.4 Ų92.466%0.65955%0.553SS**Hα-helixtrans-65.6-30.8175.7-79.3-162169.200112N106 F111 G113N106-E109 HydrophobicContact CB-CG 4.04Å; N106-E109 PolarHBondContact O-N 3.29Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.36Å; E109-G113 VanDerWaalsContact O-CA 3.26Å; E109-G113 WeakPolarHBondContact O-CA 3.36Å; E109-G113 PolarHBondContact O-N 2.89Å
110I52.2Low54.1Low114 Ų114102.5 Ų102.559%0.58558%0.582SS**Hα-helixtrans-70.6-29.4175.7-62176000111.5F102 F108F102-I110 WeakPolarHBondContact O-CD1 3.25Å; F108-I110 PolarHBondContact O-N 2.66Å
111F47.8Very low52.1Low158 Ų158105.7 Ų105.769%0.69359%0.587SS**Hα-helixtrans-97.1-34.4-176.2-138.3-91.6000113.6F108 E109F108-F111 PolarHBondContact O-N 2.59Å; F108-F111 VanDerWaalsContact O-N 3.12Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.36Å
112F48.4Very low50.2Low133 Ų133108.5 Ų108.558%0.58361%0.612SS**Hα-helixtrans-94.2-25178.3-92.2-93.9000113.4F108 R114 R115F108-F112 HydrophobicContact CB-CD2 4.37Å; F108-F112 WeakPolarHBondContact O-CB 3.1Å; F108-F112 PolarHBondContact O-N 2.76Å; F112-R114 PolarHBondContact O-N 2.91Å; F112-R115 PolarHBondContact O-N 2.84Å
113G47Very low48.3Very low68 Ų68116.5 Ų116.570%0.70165%0.65SS**THydrogen-bonded Turntrans-71.3-13.3176.400000114.3E109E109-G113 VanDerWaalsContact O-CA 3.26Å; E109-G113 WeakPolarHBondContact O-CA 3.36Å; E109-G113 PolarHBondContact O-N 2.89Å
114R47.4Very low46.7Very low215 Ų215121.9 Ų121.981%0.81166%0.655SS**THydrogen-bonded Turntrans-101.1-4.5177.7-124.2-177.1-168.6-146.34.8114.6F112F112-R114 PolarHBondContact O-N 2.91Å
115R42.5Very low45.5Very low209 Ų209129.3 Ų129.379%0.78968%0.684SS**THydrogen-bonded Turntrans-116.3-1.3-170.7-152.9-179.7-177.6-178.82.2114.8F112F112-R115 PolarHBondContact O-N 2.84Å
116M42.5Very low44.1Very low170 Ų170136.3 Ų136.384%0.83771%0.711SS**SBendtrans-113.630.8-174.2-89-72-153.700114.1
117G40.7Very low43.4Very low72 Ų72139.9 Ų139.974%0.74273%0.729SS**SBendtrans-127.293.8175.900000112
118G35.4Very low42.2Very low86 Ų86147.3 Ų147.389%0.88777%0.768SS**  trans22.9121.3159.300000120.7
119G36.9Very low41.1Very low80 Ų80147.3 Ų147.383%0.82579%0.788SS**  trans166.886.3164.200000112.9D121G119-D121 PolarHBondContact O-N 2.79Å
120R31.4Very low40.5Very low250 Ų250145.9 Ų145.994%0.94378%0.784SS**  trans-68.5103.4171.3-179.8-176-175.6158.10.1108.4
121D36.5Very low40.3Very low157 Ų157145.9 Ų145.984%0.8479%0.792SS**  trans-157.5137.2145-127.7-14.9000111.9G119G119-D121 PolarHBondContact O-N 2.79Å
122S37.6Very low40.5Very low101 Ų101146.1 Ų146.171%0.70679%0.793SS**  trans-107.2119.4-167.137.40000108.7
123E38.4Very low40.4Very low196 Ų196145.2 Ų145.292%0.91680%0.803SS**  trans-162.6137.3152.8-111.1165.4-162.700110.3
124E33.2Very low40.4Very low186 Ų186146.2 Ų146.287%0.86981%0.805SS**  trans-61136.6-164.5-65.1157.2140.900113.5
125M44.4Very low39.9Very low184 Ų184145.6 Ų145.691%0.90681%0.809SS**  trans-151.9123.5146.1-101.7-170-80.300109.9I127M125-I127 PolarHBondContact O-N 2.8Å
126E31.1Very low39.6Very low200 Ų200137.8 Ų137.894%0.93579%0.793SS**  trans-56.9120-174.6-62.7170.2145.300111.7
127I46.8Very low39.5Very low137 Ų137139.6 Ų139.670%0.70380%0.797SS**  trans-97.2104.1170.2-67.3176.2000107.7M125 G129M125-I127 PolarHBondContact O-N 2.8Å; I127-G129 PolarHBondContact O-N 2.78Å
128D34.5Very low39.4Very low166 Ų166141.2 Ų141.289%0.88880%0.797SS**  trans-56.5118.6161.7-112.4-28.5000109.9
129G33.7Very low39.5Very low70 Ų70145.8 Ų145.872%0.72280%0.797SS**  trans82.232.114300000119.6I127 P131I127-G129 PolarHBondContact O-N 2.78Å; G129-P131 VanDerWaalsContact O-CD 3.26Å; G129-P131 WeakPolarHBondContact O-CD 3.49Å
130D42.6Very low39.5Very low111 Ų111149.8 Ų149.859%0.59480%0.799SS**  trans-87.8109166.5-96.7-40.4000111.7F132D130-F132 PolarHBondContact O-N 2.85Å
131P48.6Very low39.7Very low114 Ų114140.8 Ų140.874%0.7478%0.784SS**THydrogen-bonded Turntrans-74.49.8-177.132-35.8000113.7G129G129-P131 VanDerWaalsContact O-CD 3.26Å; G129-P131 WeakPolarHBondContact O-CD 3.49Å
132F52Low40.2Very low164 Ų164144.1 Ų144.172%0.71979%0.787SS**THydrogen-bonded Turntrans-101.5-3.5-173.7-116.5-89.9000114.2D130 A134D130-F132 PolarHBondContact O-N 2.85Å; F132-A134 VanDerWaalsContact C-N 3.32Å; F132-A134 PolarHBondContact O-N 2.82Å
133S45.8Very low40.4Very low113 Ų113145.2 Ų145.279%0.7979%0.791SS**THydrogen-bonded Turntrans-84.52.2-179.2-63.50000114.6
134A46.1Very low40.7Very low90 Ų90147.3 Ų147.374%0.74479%0.791SS**THydrogen-bonded Turntrans-97.5-3.7-173.900000115.7F132F132-A134 VanDerWaalsContact C-N 3.32Å; F132-A134 PolarHBondContact O-N 2.82Å
135F38.4Very low41.2Very low202 Ų202146.4 Ų146.489%0.88679%0.792SS**  trans-107.581.8176.5-100.5-93.7000110.9
136G36Very low41Very low45 Ų45148.6 Ų148.646%0.46479%0.79SS.*  trans-69.9-179.8157.100000111.5
137F39Very low41.6Very low208 Ų208146.3 Ų146.391%0.91278%0.784SS**  trans82.9140.4177.1-50.1-71.7000115.6
138S38.3Very low41.8Very low106 Ų106145.6 Ų145.674%0.74179%0.791SS**  cis-170.5141.2-24.9-130.30000104N140S138-N140 PolarHBondContact O-N 3.06Å
139M37.9Very low42.5Very low182 Ų182144.7 Ų144.790%0.89779%0.792SS**  trans-54.7126.6168.5-78.4-91.7-114.600110.7
140N37.2Very low43.3Very low163 Ų163143.6 Ų143.687%0.87278%0.78SS**  trans-161.8140.3136.6-120.725.5000112.3S138S138-N140 PolarHBondContact O-N 3.06Å
141G35.9Very low44Very low61 Ų61144.3 Ų144.363%0.62979%0.791SS**  trans-83.5161.2-157.500000116.5
142Y46Very low44.4Very low228 Ų228144.1 Ų144.189%0.89479%0.792SS**  trans-144.3150.7154.3-76.5-76.7000109.8
143P43.7Very low45.3Very low123 Ų123145.3 Ų145.380%0.79979%0.792SS**  trans-74.3135.9-161.4-825.3000111.5D145P143-D145 PolarHBondContact O-N 2.61Å
144R44.4Very low46.9Very low241 Ų241144.5 Ų144.591%0.90978%0.778SS**  trans-71112.5170.6-93.8-171.4174.4171-0.8109.6R146R144-R146 PolarHBondContact O-N 2.78Å
145D42.2Very low49Very low166 Ų166148.5 Ų148.589%0.88878%0.779SS**  trans-56115.7160-128.4-46.8000109P143P143-D145 PolarHBondContact O-N 2.61Å
146R40.4Very low51.5Low231 Ų231142.3 Ų142.387%0.87275%0.753SS**  trans-105.770.5-168.5-164.2-169.3-146.81807.2107.3R144R144-R146 PolarHBondContact O-N 2.78Å
147N43.6Very low54.1Low152 Ų152142.7 Ų142.781%0.81374%0.744SS**  trans-171.384.8162.1-96.2-13.8000111.5
148S51.7Low56.7Low121 Ų121137.7 Ų137.785%0.84673%0.732SS**  trans-148.7102.6153.9-102.30000107.6G150S148-G150 PolarHBondContact O-N 3.33Å
149V48.2Very low59.4Low148 Ų148136.2 Ų136.290%0.89772%0.72SS**  trans-70.178.5168.2-177.60000106.2
150G52.1Low62.2Low47 Ų47130.4 Ų130.449%0.48570%0.695SS.*  trans-62.5149.4165.400000108.8S148 S152S148-G150 PolarHBondContact O-N 3.33Å; G150-S152 PolarHBondContact O-N 2.59Å; G150-S152 VanDerWaalsContact O-N 3.1Å
151P56Low65Low125 Ų125127.3 Ų127.381%0.81268%0.677SS**  trans-52.7125.2175.822.5-31.9000108.4R153P151-R153 PolarHBondContact O-N 3.41Å
152S57.7Low67.8Low110 Ų110128.1 Ų128.177%0.76967%0.665SS**  trans-53.5102.6177.5171.40000108.1G150 L154G150-S152 PolarHBondContact O-N 2.59Å; G150-S152 VanDerWaalsContact O-N 3.1Å; S152-L154 PolarHBondContact O-N 3.19Å
153R70.3Confident70.3Confident190 Ų190122.9 Ų122.972%0.71765%0.648SS**PPolyproline II helixtrans-57.8118.8174.4-71.3-176.3179.4177.3-0.4106.4P151 K155P151-R153 PolarHBondContact O-N 3.41Å; R153-K155 PolarHBondContact O-N 2.77Å; R153-K155 VanDerWaalsContact O-N 3.14Å
154L80.6Confident72.8Confident96 Ų96117.4 Ų117.450%0.50361%0.613SS.*PPolyproline II helixtrans-53.8124.5175.9-65.2174.9000107.8S152 I227S152-L154 PolarHBondContact O-N 3.19Å; L154-I227 HydrophobicContact CB-CD1 4.22Å; L154-I227 HydrophobicContact CB-CG1 3.8Å; L154-I227 WeakPolarHBondContact O-CD1 3.4Å
155K88.3Confident75.3Confident174 Ų174113.3 Ų113.376%0.75760%0.597SS**EExtended strand (participates in β ladder)trans-77.7136.1177.8-173.7178.9175.7-174.80108.1R153 S226 I227R153-K155 PolarHBondContact O-N 2.77Å; R153-K155 VanDerWaalsContact O-N 3.14Å; K155-S226 WeakPolarHBondContact O-CA 3.41Å; K155-S226 WeakPolarHBondContact O-CB 3.42Å; K155-I227 PolarHBondContact O-N 2.94Å
156Q91.3Very high78Confident72 Ų72105.4 Ų105.434%0.33656%0.555SS.*EExtended strand (participates in β ladder)trans-77.4136.4172.1-168.7170-7.300110.8I227 P228 D230Q156-I227 WeakPolarHBondContact CA-O 3.45Å; Q156-I227 HydrophobicContact CB-CB 3.92Å; Q156-I227 HydrophobicContact CB-CG2 4.31Å; Q156-I227 HydrophobicContact CG-CB 3.96Å; Q156-I227 HydrophobicContact CG-CG2 3.92Å; Q156-P228 WeakPolarHBondContact CG-O 3.11Å; Q156-P228 PolarHBondContact NE2-O 2.81Å; Q156-D230 PolarHBondContact NE2-OD1 3.31Å
157D91.3Very high80.7Confident52 Ų5295.5 Ų95.528%0.27852%0.521SS..PPolyproline II helixtrans-64.5149174.8-72.2-26.3000111S226 I227 A229D157-S226 VanDerWaalsContact OD1-CB 3.23Å; D157-S226 WeakPolarHBondContact OD1-CB 3.19Å; D157-S226 PolarHBondContact OD1-OG 2.89Å; D157-S226 WeakPolarHBondContact OD2-CB 3.13Å; D157-S226 PolarHBondContact OD2-OG 3.47Å; D157-I227 PolarHBondContact N-O 3.45Å; D157-A229 HydrophobicContact CB-CB 3.9Å
158P93.9Very high83.3Confident103 Ų10388.4 Ų88.467%0.66948%0.483SS*.PPolyproline II helixtrans-60.4145.6-178.926.1-35000111.3V160 A229P158-V160 PolarHBondContact O-N 2.91Å; P158-A229 WeakPolarHBondContact O-CB 3.37Å
159P94.8Very high85.4Confident75 Ų7586.1 Ų86.149%0.48746%0.459SS..PPolyproline II helixtrans-63.5137.9-175.626.2-34.6000112D230 V232P159-D230 CarbonylContact C-O 3.57Å; P159-D230 VanDerWaalsContact CA-O 3.29Å; P159-D230 WeakPolarHBondContact CA-O 3.48Å; P159-D230 HydrophobicContact CB-CB 4.39Å; P159-V232 HydrophobicContact CB-CG2 3.96Å
160V95.5Very high87.8Confident61 Ų6181.6 Ų81.637%0.3743%0.428SS..EExtended strand (participates in β ladder)trans-85.8117.8172.5-178.60000108.3P158 A229 D230 I231 V232P158-V160 PolarHBondContact O-N 2.91Å; V160-A229 HydrophobicContact CG2-CB 4.05Å; V160-D230 PolarHBondContact N-O 2.99Å; V160-I231 HydrophobicContact CB-CG1 4.42Å; V160-I231 WeakPolarHBondContact O-CA 3.39Å; V160-V232 PolarHBondContact O-N 3.12Å
161I96.1Very high89.9Confident97 Ų9779.4 Ų79.450%0.49741%0.405SS..EExtended strand (participates in β ladder)trans-103.4129-173.9-58.8175.6000110.4V232 I234I161-V232 CarbonylContact C-O 3.59Å; I161-V232 WeakPolarHBondContact CA-O 3.48Å; I161-V232 HydrophobicContact CG1-CB 4.45Å; I161-I234 HydrophobicContact CG2-CD1 3.48Å; I161-I234 VanDerWaalsContact CG2-CD1 3.48Å; I161-I234 HydrophobicContact CG2-CG1 3.83Å
162H96.2Very high91.9Very high78 Ų7876.1 Ų76.136%0.36138%0.377SS..EExtended strand (participates in β ladder)trans-121.3134.7173-64.9-60.6000111V232 F233 I234H162-V232 PolarHBondContact N-O 3.34Å; H162-F233 HydrophobicContact CB-CD1 3.67Å; H162-F233 HydrophobicContact CB-CE1 3.72Å; H162-F233 HydrophobicContact CB-CG 4.49Å; H162-F233 CarbonylContact O-C 3.51Å; H162-F233 VanDerWaalsContact O-CA 3.26Å; H162-F233 WeakPolarHBondContact O-CA 3.37Å; H162-I234 PolarHBondContact O-N 3.14Å
163E97.3Very high93.7Very high118 Ų11874.2 Ų74.255%0.55136%0.363SS*.EExtended strand (participates in β ladder)trans-82124.6170.6-63.5-168.9154.600110.3K236E163-K236 HydrophobicContact CB-CG 4.18Å; E163-K236 HydrophobicContact CG-CG 4.24Å
164L97Very high94.9Very high9 Ų966 Ų665%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-103.6104.2174.8-174.962.4000109V166 K177 M179 I202 I204 F233 I234 K236L164-V166 HydrophobicContact CD2-CG2 4.44Å; L164-V166 HydrophobicContact CG-CG2 4.06Å; L164-K177 HydrophobicContact CD1-CD 3.78Å; L164-K177 HydrophobicContact CD2-CD 4.2Å; L164-K177 HydrophobicContact CG-CD 4.13Å; L164-M179 HydrophobicContact CD1-CE 4.11Å; L164-M179 HydrophobicContact CD1-CG 4.37Å; L164-M179 HydrophobicContact CD1-SD 3.7Å; L164-I202 HydrophobicContact CD2-CD1 3.71Å; L164-I202 HydrophobicContact CD2-CG2 4.12Å; L164-I204 HydrophobicContact CD2-CD1 4Å; L164-F233 HydrophobicContact CB-CB 4.4Å; L164-F233 HydrophobicContact CB-CD1 4.41Å; L164-I234 PolarHBondContact N-O 3.09Å; L164-K236 PolarHBondContact O-N 3.07Å
165R97.5Very high95.7Very high154 Ų15463 Ų6358%0.58133%0.325SS*.EExtended strand (participates in β ladder)trans-76.8125176.6-65.3-173.6-178.7-175-0.6111K177 K236 K238R165-K177 PolarHBondContact O-NZ 3.14Å; R165-K236 CarbonylContact C-O 3.53Å; R165-K236 VanDerWaalsContact CA-O 3.3Å; R165-K236 WeakPolarHBondContact CA-O 3.17Å; R165-K236 HydrophobicContact CG-CB 4.37Å; R165-K238 HydrophobicContact CB-CB 4.4Å
166V97.2Very high96.1Very high0 Ų058.9 Ų58.90%031%0.314CS..EExtended strand (participates in β ladder)trans-129.7129.3-174-169.50000109L164 E170 I171 I204 I235 K236 K238L164-V166 HydrophobicContact CD2-CG2 4.44Å; L164-V166 HydrophobicContact CG-CG2 4.06Å; V166-E170 WeakPolarHBondContact CA-OE2 3.35Å; V166-E170 HydrophobicContact CG1-CB 3.5Å; V166-E170 VanDerWaalsContact CG1-CB 3.5Å; V166-E170 HydrophobicContact CG1-CG 4.44Å; V166-E170 WeakPolarHBondContact CG1-OE2 3.33Å; V166-I171 HydrophobicContact CB-CD1 4Å; V166-I171 HydrophobicContact CB-CG1 4.31Å; V166-I171 HydrophobicContact CG1-CD1 3.56Å; V166-I171 HydrophobicContact CG1-CG1 3.83Å; V166-I204 HydrophobicContact CB-CD1 4.42Å; V166-I204 HydrophobicContact CG1-CD1 3.92Å; V166-I204 HydrophobicContact CG1-CG2 4.46Å; V166-I204 HydrophobicContact CG2-CD1 3.53Å; V166-I235 HydrophobicContact CB-CG2 4.44Å; V166-I235 HydrophobicContact CG2-CG1 4.5Å; V166-I235 HydrophobicContact CG2-CG2 4.04Å; V166-K236 PolarHBondContact N-O 2.99Å; V166-K238 PolarHBondContact O-N 3.19Å
167S97.8Very high96.4Very high23 Ų2357.3 Ų57.316%0.16131%0.306CS..  trans-69.3155.8177.358.50000111.9E169 E170 I171S167-E169 WeakPolarHBondContact CB-OE2 3.34Å; S167-E169 PolarHBondContact O-N 3.19Å; S167-E170 PolarHBondContact N-OE2 3.34Å; S167-E170 WeakPolarHBondContact O-CB 3.26Å; S167-E170 PolarHBondContact O-N 2.88Å; S167-E170 VanDerWaalsContact O-N 3.16Å; S167-E170 WeakPolarHBondContact OG-CB 3.27Å; S167-E170 VanDerWaalsContact OG-CD 3.26Å; S167-E170 WeakPolarHBondContact OG-CG 3.34Å; S167-E170 PolarHBondContact OG-N 2.74Å; S167-E170 PolarHBondContact OG-OE2 3.12Å; S167-I171 WeakPolarHBondContact O-CG1 3.42Å; S167-I171 PolarHBondContact O-N 3.46Å
168L97.7Very high96.6Very high3 Ų363 Ų632%0.01632%0.324CS..Hα-helixtrans-63.7-31.3178.8-62.6179.8000111.7I171 Y172 H240 F243 R245 L272 L298L168-I171 PolarHBondContact O-N 2.89Å; L168-Y172 VanDerWaalsContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CB 3.41Å; L168-Y172 PolarHBondContact O-N 2.89Å; L168-H240 HydrophobicContact CD1-CB 3.94Å; L168-H240 HydrophobicContact CG-CB 4.39Å; L168-F243 HydrophobicContact CD1-CB 3.86Å; L168-R245 HydrophobicContact CD2-CB 4Å; L168-R245 HydrophobicContact CD2-CG 4.46Å; L168-L272 HydrophobicContact CB-CD2 3.8Å; L168-L298 HydrophobicContact CD2-CD1 4.44Å
169E97.4Very high96.7Very high74 Ų7460.8 Ų60.835%0.34631%0.306SS..Hα-helixtrans-65.1-44.3173.2-62.486.9163.500111.7S167 I171 Y172 S173 H240S167-E169 WeakPolarHBondContact CB-OE2 3.34Å; S167-E169 PolarHBondContact O-N 3.19Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-I171 PolarHBondContact O-N 3.46Å; E169-Y172 WeakPolarHBondContact O-CB 3.39Å; E169-Y172 PolarHBondContact O-N 2.99Å; E169-Y172 VanDerWaalsContact O-N 3.16Å; E169-S173 PolarHBondContact O-N 2.58Å; E169-S173 PolarHBondContact O-OG 3.12Å; E169-H240 IonicContact OE1-CD2 3.04Å; E169-H240 PolarHBondContact OE1-CD2 2.8Å; E169-H240 VanDerWaalsContact OE1-CD2 3.31Å; E169-H240 IonicContact OE1-NE2 2.76Å; E169-H240 PolarHBondContact OE1-NE2 3.43Å; E169-H240 IonicContact OE2-CD2 2.95Å
170E97.3Very high96.8Very high53 Ų5363.9 Ų63.925%0.24831%0.311CS..Hα-helixtrans-63-38.5173.7-77.4170.2138.600111.7V166 S167 Y172 G174 C175 K177V166-E170 WeakPolarHBondContact CA-OE2 3.35Å; V166-E170 HydrophobicContact CG1-CB 3.5Å; V166-E170 VanDerWaalsContact CG1-CB 3.5Å; V166-E170 HydrophobicContact CG1-CG 4.44Å; V166-E170 WeakPolarHBondContact CG1-OE2 3.33Å; S167-E170 PolarHBondContact N-OE2 3.34Å; S167-E170 WeakPolarHBondContact O-CB 3.26Å; S167-E170 PolarHBondContact O-N 2.88Å; S167-E170 VanDerWaalsContact O-N 3.16Å; S167-E170 WeakPolarHBondContact OG-CB 3.27Å; S167-E170 VanDerWaalsContact OG-CD 3.26Å; S167-E170 WeakPolarHBondContact OG-CG 3.34Å; S167-E170 PolarHBondContact OG-N 2.74Å; S167-E170 PolarHBondContact OG-OE2 3.12Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-G174 CarbonylContact O-C 3.59Å; E170-G174 VanDerWaalsContact O-C 3.27Å; E170-G174 WeakPolarHBondContact O-CA 2.95Å; E170-G174 PolarHBondContact O-N 3.17Å; E170-C175 HydrophobicContact CB-CB 4.29Å; E170-C175 HydrophobicContact CG-CB 4.18Å; E170-K177 VanDerWaalsContact CD-CE 3.45Å; E170-K177 VanDerWaalsContact CD-NZ 3.33Å; E170-K177 WeakPolarHBondContact OE1-CE 3.49Å; E170-K177 IonicContact OE1-NZ 3.8Å; E170-K177 PolarHBondContact OE1-NZ 2.94Å; E170-K177 WeakPolarHBondContact OE2-CE 3.37Å; E170-K177 IonicContact OE2-NZ 2.76Å; E170-K177 PolarHBondContact OE2-NZ 3.19Å
171I96.8Very high96.7Very high0 Ų061.6 Ų61.60%030%0.297CS..Hα-helixtrans-68.4-34.7173.7-62.4-62000111.2V166 S167 L168 E169 I204 K206 G207 I235 L298V166-I171 HydrophobicContact CB-CD1 4Å; V166-I171 HydrophobicContact CB-CG1 4.31Å; V166-I171 HydrophobicContact CG1-CD1 3.56Å; V166-I171 HydrophobicContact CG1-CG1 3.83Å; S167-I171 WeakPolarHBondContact O-CG1 3.42Å; S167-I171 PolarHBondContact O-N 3.46Å; L168-I171 PolarHBondContact O-N 2.89Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-I171 PolarHBondContact O-N 3.46Å; I171-I204 HydrophobicContact CD1-CG2 3.88Å; I171-K206 CarbonylContact O-C 3.53Å; I171-K206 WeakPolarHBondContact O-CA 3.32Å; I171-G207 PolarHBondContact O-N 2.89Å; I171-I235 HydrophobicContact CD1-CG2 4.3Å; I171-L298 HydrophobicContact CB-CD2 4.46Å; I171-L298 HydrophobicContact CG2-CD1 4.21Å; I171-L298 HydrophobicContact CG2-CD2 4.14Å
172Y97.2Very high96.6Very high57 Ų5761 Ų6122%0.22430%0.301CS..Hα-helixtrans-67.3-49.9178.5173.6-101.8000112L168 E169 E170 L272 D273 P299 R307L168-Y172 VanDerWaalsContact O-CB 3.25Å; L168-Y172 WeakPolarHBondContact O-CB 3.41Å; L168-Y172 PolarHBondContact O-N 2.89Å; E169-Y172 WeakPolarHBondContact O-CB 3.39Å; E169-Y172 PolarHBondContact O-N 2.99Å; E169-Y172 VanDerWaalsContact O-N 3.16Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-L272 HydrophobicContact CD2-CD1 4.48Å; Y172-L272 HydrophobicContact CG-CB 4.48Å; Y172-D273 HydrophobicContact CE1-CB 3.97Å; Y172-P299 HydrophobicContact CD2-CG 4.3Å; Y172-R307 VanDerWaalsContact CE2-CZ 3.42Å; Y172-R307 PolarHBondContact OH-NH1 3.17Å
173S96Very high96.4Very high69 Ų6958.5 Ų58.548%0.48329%0.289SS..Hα-helixtrans-85.4-21.1-178.764.10000113.8E169 K206E169-S173 PolarHBondContact O-N 2.58Å; E169-S173 PolarHBondContact O-OG 3.12Å; S173-K206 WeakPolarHBondContact O-CE 3.48Å; S173-K206 WeakPolarHBondContact O-CG 3.32Å
174G95.7Very high96.3Very high19 Ų1957.9 Ų57.920%0.19628%0.284CS..  trans75.6154.6-158.200000110.5E170 I204E170-G174 CarbonylContact O-C 3.59Å; E170-G174 VanDerWaalsContact O-C 3.27Å; E170-G174 WeakPolarHBondContact O-CA 2.95Å; E170-G174 PolarHBondContact O-N 3.17Å; G174-I204 WeakPolarHBondContact CA-O 3.16Å
175C97Very high96.2Very high31 Ų3157.9 Ų57.921%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-157.2167.7174.775.30000111.8E170 I204E170-C175 HydrophobicContact CB-CB 4.29Å; E170-C175 HydrophobicContact CG-CB 4.18Å; C175-I204 PolarHBondContact N-O 3.41Å; C175-I204 WeakPolarHBondContact O-CA 3.4Å; C175-I204 WeakPolarHBondContact O-CB 3.41Å; C175-I204 PolarHBondContact O-N 2.85Å
176T97.6Very high95.8Very high88 Ų8852.4 Ų52.454%0.5427%0.266SS..EExtended strand (participates in β ladder)trans-113.2120.8172.4-58.50000109.1T201 I202 E203T176-T201 HydrophobicContact CG2-CG2 3.4Å; T176-I202 CarbonylContact C-O 3.08Å; T176-I202 WeakPolarHBondContact CA-O 3.46Å; T176-E203 HydrophobicContact CG2-CG 4.42Å
177K96.5Very high95.5Very high39 Ų3954.7 Ų54.717%0.1728%0.278CS..EExtended strand (participates in β ladder)trans-105.4136.1174.5-64.6-159.8179.9-152.90110.3L164 R165 E170 I202 I204L164-K177 HydrophobicContact CD1-CD 3.78Å; L164-K177 HydrophobicContact CD2-CD 4.2Å; L164-K177 HydrophobicContact CG-CD 4.13Å; R165-K177 PolarHBondContact O-NZ 3.14Å; E170-K177 VanDerWaalsContact CD-CE 3.45Å; E170-K177 VanDerWaalsContact CD-NZ 3.33Å; E170-K177 WeakPolarHBondContact OE1-CE 3.49Å; E170-K177 IonicContact OE1-NZ 3.8Å; E170-K177 PolarHBondContact OE1-NZ 2.94Å; E170-K177 WeakPolarHBondContact OE2-CE 3.37Å; E170-K177 IonicContact OE2-NZ 2.76Å; E170-K177 PolarHBondContact OE2-NZ 3.19Å; K177-I202 PolarHBondContact N-O 2.85Å; K177-I202 PolarHBondContact O-N 2.85Å; K177-I204 HydrophobicContact CD-CD1 3.99Å; K177-I204 HydrophobicContact CG-CD1 3.97Å
178R97.1Very high95.1Very high171 Ų17159.1 Ų59.165%0.64532%0.316SS*.EExtended strand (participates in β ladder)trans-110.2115.1176.3-68.3179.967.9-168.2-0.2108.7I199 L200 T201R178-I199 HydrophobicContact CB-CG2 3.82Å; R178-I199 HydrophobicContact CG-CG2 4.34Å; R178-L200 WeakPolarHBondContact CA-O 3.22Å; R178-T201 HydrophobicContact CG-CG2 4.43Å
179M95.8Very high94.5Very high58 Ų5863.2 Ų63.229%0.28634%0.338SS..EExtended strand (participates in β ladder)trans-106.6118.7-177.4-60.3-56.1-68.700109.3L164 I199 L200 I202 F233L164-M179 HydrophobicContact CD1-CE 4.11Å; L164-M179 HydrophobicContact CD1-CG 4.37Å; L164-M179 HydrophobicContact CD1-SD 3.7Å; M179-I199 CarbonylContact O-C 3.58Å; M179-I199 WeakPolarHBondContact O-CA 3.45Å; M179-L200 PolarHBondContact N-O 2.88Å; M179-L200 PolarHBondContact O-N 2.93Å; M179-I202 HydrophobicContact CG-CD1 3.79Å; M179-F233 HydrophobicContact CB-CE1 3.87Å; M179-F233 HydrophobicContact CB-CZ 3.65Å; M179-F233 HydrophobicContact CE-CE1 3.97Å; M179-F233 HydrophobicContact CG-CD1 4.3Å; M179-F233 HydrophobicContact CG-CE1 3.7Å; M179-F233 HydrophobicContact CG-CZ 3.93Å
180K96Very high93.8Very high139 Ų13961.2 Ų61.260%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-81.1128.2171.8-171.9-177.5179-1720108.9D197 K198K180-D197 VanDerWaalsContact CE-CB 3.49Å; K180-D197 WeakPolarHBondContact CE-OD2 3.34Å; K180-D197 IonicContact NZ-OD2 3.77Å; K180-D197 PolarHBondContact NZ-OD2 2.97Å; K180-K198 WeakPolarHBondContact CA-O 3.35Å
181I94Very high93.1Very high13 Ų1369 Ų697%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-116.5151.7170.662.2165.4000109D197 K198 L200 E219 I231 F233I181-D197 WeakPolarHBondContact O-CA 3.48Å; I181-K198 HydrophobicContact CD1-CB 4.37Å; I181-K198 HydrophobicContact CG1-CB 4.06Å; I181-K198 VanDerWaalsContact CG1-O 3.32Å; I181-K198 WeakPolarHBondContact CG1-O 3.21Å; I181-K198 PolarHBondContact N-O 2.75Å; I181-K198 PolarHBondContact O-N 3.39Å; I181-L200 HydrophobicContact CD1-CD1 3.72Å; I181-L200 HydrophobicContact CD1-CD2 4.26Å; I181-L200 HydrophobicContact CD1-CG 3.94Å; I181-L200 HydrophobicContact CG1-CD1 4.29Å; I181-L200 HydrophobicContact CG1-CG 4.18Å; I181-L200 HydrophobicContact CG2-CD1 4.04Å; I181-L200 HydrophobicContact CG2-CG 4.45Å; I181-E219 HydrophobicContact CD1-CB 4.24Å; I181-I231 HydrophobicContact CB-CD1 4.38Å; I181-I231 HydrophobicContact CD1-CD1 3.36Å; I181-I231 HydrophobicContact CG1-CD1 4.45Å; I181-I231 HydrophobicContact CG2-CD1 4.2Å; I181-F233 HydrophobicContact CG2-CZ 4.42Å
182S93.6Very high92.7Very high85 Ų8571.1 Ų71.159%0.59438%0.379SS*.EExtended strand (participates in β ladder)trans-117126.2169.1-59.70000107.4D197S182-D197 WeakPolarHBondContact CB-OD1 3.38Å; S182-D197 PolarHBondContact OG-OD1 3.37Å
183R93.1Very high92.5Very high26 Ų2673.7 Ų73.710%0.09839%0.389CS..EExtended strand (participates in β ladder)trans-131.5145.2-173.565.3-164.5-167.1156.85.2110.5R185 E196 E219 D221R183-R185 VanDerWaalsContact CG-NH1 3.27Å; R183-R185 VanDerWaalsContact CZ-NE 3.29Å; R183-E196 HydrophobicContact CG-CB 4.3Å; R183-E196 WeakPolarHBondContact CG-O 3.35Å; R183-E196 IonicContact CZ-OE2 2.8Å; R183-E196 VanDerWaalsContact CZ-OE2 3.24Å; R183-E196 PolarHBondContact N-O 3.24Å; R183-E196 IonicContact NE-OE2 2.98Å; R183-E196 PolarHBondContact NE-OE2 2.59Å; R183-E196 IonicContact NH2-OE1 3.26Å; R183-E196 IonicContact NH2-OE2 2.77Å; R183-E196 PolarHBondContact NH2-OE2 2.71Å; R183-E196 PolarHBondContact O-N 2.91Å; R183-E219 WeakPolarHBondContact CD-O 3.24Å; R183-E219 IonicContact CZ-OE2 2.9Å; R183-E219 IonicContact NH1-OE1 3.17Å; R183-E219 IonicContact NH1-OE2 3Å; R183-E219 PolarHBondContact NH1-OE2 3.02Å; R183-D221 WeakPolarHBondContact CA-OD1 3.39Å
184K94.3Very high92.3Very high105 Ų10575.8 Ų75.846%0.45739%0.387SS..EExtended strand (participates in β ladder)trans-82.6133.1172.9-65.5176.3-175.1168.90109.6Y193 R194 D221 E222K184-Y193 HydrophobicContact CB-CD1 4.19Å; K184-R194 WeakPolarHBondContact CA-O 3.43Å; K184-D221 HydrophobicContact CB-CB 4.18Å; K184-D221 PolarHBondContact N-OD1 2.63Å; K184-E222 PolarHBondContact O-N 3.45Å
185R93.8Very high92.2Very high8 Ų879.9 Ų79.93%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-118.7136.9173.9-67.5-66.7172.4-101.526.4110.1R183 Y193 R194 E196 G220 E222R183-R185 VanDerWaalsContact CG-NH1 3.27Å; R183-R185 VanDerWaalsContact CZ-NE 3.29Å; R185-Y193 CarbonylContact O-C 3.36Å; R185-Y193 WeakPolarHBondContact O-CA 3.32Å; R185-R194 HydrophobicContact CB-CG 3.95Å; R185-R194 VanDerWaalsContact CB-CZ 3.48Å; R185-R194 PolarHBondContact N-O 2.93Å; R185-R194 PolarHBondContact O-N 3.23Å; R185-E196 HydrophobicContact CG-CB 4.06Å; R185-E196 VanDerWaalsContact CG-OE2 3.22Å; R185-E196 WeakPolarHBondContact CG-OE2 3.39Å; R185-E196 IonicContact NE-OE2 3.58Å; R185-E196 PolarHBondContact NE-OE2 3.5Å; R185-G220 PolarHBondContact NH1-O 3.49Å; R185-G220 PolarHBondContact NH2-O 3.35Å; R185-E222 WeakPolarHBondContact CA-OE2 3.47Å; R185-E222 WeakPolarHBondContact CD-OE1 3.03Å; R185-E222 VanDerWaalsContact CD-OE2 3.24Å; R185-E222 WeakPolarHBondContact CD-OE2 3.34Å; R185-E222 IonicContact CZ-OE1 3.92Å; R185-E222 IonicContact NE-OE1 3.94Å; R185-E222 PolarHBondContact NE-OE1 3.07Å
186L90.9Very high92.1Very high40 Ų4081.5 Ų81.521%0.20942%0.417CS..EExtended strand (participates in β ladder)trans-72.8134.4177.7-161.668.2000108.6Y193 R194 E222 P224L186-Y193 HydrophobicContact CD1-CD1 4.05Å; L186-Y193 HydrophobicContact CD1-CE1 3.67Å; L186-R194 PolarHBondContact O-NH1 3.07Å; L186-E222 HydrophobicContact CB-CB 4.48Å; L186-E222 PolarHBondContact N-OE2 3.02Å; L186-P224 HydrophobicContact CD1-CG 3.98Å; L186-P224 HydrophobicContact CD2-CB 4.34Å; L186-P224 HydrophobicContact CD2-CG 4.25Å
187N91.1Very high92Very high47 Ų4781.5 Ų81.525%0.25141%0.414SS..  trans-78.7169.7173.9-67.9-30.4000110.3D189 G190 S192 R194N187-D189 WeakPolarHBondContact CB-OD1 3.29Å; N187-D189 PolarHBondContact O-N 3.15Å; N187-G190 PolarHBondContact O-N 3.5Å; N187-S192 WeakPolarHBondContact CB-OG 3.36Å; N187-S192 PolarHBondContact N-O 3.14Å; N187-S192 PolarHBondContact ND2-OG 3.28Å; N187-R194 WeakPolarHBondContact OD1-CD 3.4Å; N187-R194 WeakPolarHBondContact OD1-CG 3.4Å; N187-R194 PolarHBondContact OD1-NH1 3.09Å; N187-R194 VanDerWaalsContact OD1-NH1 3.09Å
188A87.4Confident92Very high117 Ų11783 Ų8397%0.96742%0.42SS*.THydrogen-bonded Turntrans-60.5-19-179.100000113.6G190A188-G190 PolarHBondContact O-N 2.74Å
189D86.5Confident91.9Very high89 Ų8978.7 Ų78.748%0.47641%0.409SS..THydrogen-bonded Turntrans-72.8-9.7174.968.8-6000113.7N187 R191 S192N187-D189 WeakPolarHBondContact CB-OD1 3.29Å; N187-D189 PolarHBondContact O-N 3.15Å; D189-R191 PolarHBondContact O-N 3.14Å; D189-R191 PolarHBondContact OD1-N 2.83Å; D189-S192 PolarHBondContact OD1-N 3.06Å; D189-S192 PolarHBondContact OD1-OG 3.49Å; D189-S192 VanDerWaalsContact OD1-OG 3.12Å; D189-S192 WeakPolarHBondContact OD2-CB 3.33Å; D189-S192 PolarHBondContact OD2-N 2.82Å; D189-S192 PolarHBondContact OD2-OG 2.85Å
190G82.9Confident92Very high32 Ų3276.1 Ų76.133%0.3340%0.397SS..SBendtrans67.210.2-177.800000114.3N187 A188N187-G190 PolarHBondContact O-N 3.5Å; A188-G190 PolarHBondContact O-N 2.74Å
191R82.5Confident92Very high215 Ų21572.9 Ų72.981%0.81139%0.388SS*.SBendtrans-132.8-41.2-170.9-67.1-179-175.8-175.71.8113.3D189D189-R191 PolarHBondContact O-N 3.14Å; D189-R191 PolarHBondContact OD1-N 2.83Å
192S88.8Confident92.2Very high46 Ų4672.3 Ų72.332%0.32239%0.386SS..  trans-91.3154.7179650000111.4N187 D189N187-S192 WeakPolarHBondContact CB-OG 3.36Å; N187-S192 PolarHBondContact N-O 3.14Å; N187-S192 PolarHBondContact ND2-OG 3.28Å; D189-S192 PolarHBondContact OD1-N 3.06Å; D189-S192 PolarHBondContact OD1-OG 3.49Å; D189-S192 VanDerWaalsContact OD1-OG 3.12Å; D189-S192 WeakPolarHBondContact OD2-CB 3.33Å; D189-S192 PolarHBondContact OD2-N 2.82Å; D189-S192 PolarHBondContact OD2-OG 2.85Å
193Y91.9Very high92.3Very high110 Ų11074.7 Ų74.743%0.43139%0.387SS..EExtended strand (participates in β ladder)trans-112.7147.2178.7-59.4-81.5000110.2K184 R185 L186 E222 P224K184-Y193 HydrophobicContact CB-CD1 4.19Å; R185-Y193 CarbonylContact O-C 3.36Å; R185-Y193 WeakPolarHBondContact O-CA 3.32Å; L186-Y193 HydrophobicContact CD1-CD1 4.05Å; L186-Y193 HydrophobicContact CD1-CE1 3.67Å; Y193-E222 VanDerWaalsContact CE1-O 3.28Å; Y193-E222 WeakPolarHBondContact CE1-O 3.44Å; Y193-P224 VanDerWaalsContact OH-CD 3.22Å; Y193-P224 WeakPolarHBondContact OH-CD 3.23Å
194R92.8Very high92.5Very high113 Ų11373.7 Ų73.743%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-114143.8161.268.2-175-178.1-72.8-4109.6K184 R185 L186 N187K184-R194 WeakPolarHBondContact CA-O 3.43Å; R185-R194 HydrophobicContact CB-CG 3.95Å; R185-R194 VanDerWaalsContact CB-CZ 3.48Å; R185-R194 PolarHBondContact N-O 2.93Å; R185-R194 PolarHBondContact O-N 3.23Å; L186-R194 PolarHBondContact O-NH1 3.07Å; N187-R194 WeakPolarHBondContact OD1-CD 3.4Å; N187-R194 WeakPolarHBondContact OD1-CG 3.4Å; N187-R194 PolarHBondContact OD1-NH1 3.09Å; N187-R194 VanDerWaalsContact OD1-NH1 3.09Å
195S93.3Very high92.6Very high105 Ų10575.1 Ų75.173%0.73439%0.39SS*.EExtended strand (participates in β ladder)trans-80.1129167-66.80000109
196E94.8Very high92.7Very high66 Ų6679.8 Ų79.831%0.30841%0.411SS..EExtended strand (participates in β ladder)trans-122130.9175.1-173.7-171.8-16000108.9R183 R185R183-E196 HydrophobicContact CG-CB 4.3Å; R183-E196 WeakPolarHBondContact CG-O 3.35Å; R183-E196 IonicContact CZ-OE2 2.8Å; R183-E196 VanDerWaalsContact CZ-OE2 3.24Å; R183-E196 PolarHBondContact N-O 3.24Å; R183-E196 IonicContact NE-OE2 2.98Å; R183-E196 PolarHBondContact NE-OE2 2.59Å; R183-E196 IonicContact NH2-OE1 3.26Å; R183-E196 IonicContact NH2-OE2 2.77Å; R183-E196 PolarHBondContact NH2-OE2 2.71Å; R183-E196 PolarHBondContact O-N 2.91Å; R185-E196 HydrophobicContact CG-CB 4.06Å; R185-E196 VanDerWaalsContact CG-OE2 3.22Å; R185-E196 WeakPolarHBondContact CG-OE2 3.39Å; R185-E196 IonicContact NE-OE2 3.58Å; R185-E196 PolarHBondContact NE-OE2 3.5Å
197D95.2Very high93Very high88 Ų8877.9 Ų77.947%0.47140%0.401SS..EExtended strand (participates in β ladder)trans-93.2133.1172.4-74.5-18.9000109.8K180 I181 S182K180-D197 VanDerWaalsContact CE-CB 3.49Å; K180-D197 WeakPolarHBondContact CE-OD2 3.34Å; K180-D197 IonicContact NZ-OD2 3.77Å; K180-D197 PolarHBondContact NZ-OD2 2.97Å; I181-D197 WeakPolarHBondContact O-CA 3.48Å; S182-D197 WeakPolarHBondContact CB-OD1 3.38Å; S182-D197 PolarHBondContact OG-OD1 3.37Å
198K95.6Very high93.2Very high69 Ų6978 Ų7830%0.340%0.398SS..EExtended strand (participates in β ladder)trans-133.9145.4176-173.8168.4171.6-174.40110.8K180 I181 L200 E219K180-K198 WeakPolarHBondContact CA-O 3.35Å; I181-K198 HydrophobicContact CD1-CB 4.37Å; I181-K198 HydrophobicContact CG1-CB 4.06Å; I181-K198 VanDerWaalsContact CG1-O 3.32Å; I181-K198 WeakPolarHBondContact CG1-O 3.21Å; I181-K198 PolarHBondContact N-O 2.75Å; I181-K198 PolarHBondContact O-N 3.39Å; K198-L200 HydrophobicContact CD-CD2 4.37Å; K198-L200 HydrophobicContact CG-CD2 4.33Å; K198-E219 VanDerWaalsContact CD-OE2 3.28Å; K198-E219 WeakPolarHBondContact CD-OE2 3.26Å; K198-E219 WeakPolarHBondContact CE-OE2 3.04Å; K198-E219 IonicContact NZ-OE1 3.58Å; K198-E219 PolarHBondContact NZ-OE1 3.03Å; K198-E219 IonicContact NZ-OE2 3.92Å; K198-E219 PolarHBondContact NZ-OE2 3.18Å
199I96.5Very high93.6Very high81 Ų8178.3 Ų78.342%0.41538%0.377SS..EExtended strand (participates in β ladder)trans-103119.2175.6-59.4173.6000108.4R178 M179R178-I199 HydrophobicContact CB-CG2 3.82Å; R178-I199 HydrophobicContact CG-CG2 4.34Å; M179-I199 CarbonylContact O-C 3.58Å; M179-I199 WeakPolarHBondContact O-CA 3.45Å
200L96.2Very high94Very high5 Ų578.6 Ų78.63%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-95.3125.1173-58.1-175.6000109.2R178 M179 I181 K198 F216 E219 I231 F233R178-L200 WeakPolarHBondContact CA-O 3.22Å; M179-L200 PolarHBondContact N-O 2.88Å; M179-L200 PolarHBondContact O-N 2.93Å; I181-L200 HydrophobicContact CD1-CD1 3.72Å; I181-L200 HydrophobicContact CD1-CD2 4.26Å; I181-L200 HydrophobicContact CD1-CG 3.94Å; I181-L200 HydrophobicContact CG1-CD1 4.29Å; I181-L200 HydrophobicContact CG1-CG 4.18Å; I181-L200 HydrophobicContact CG2-CD1 4.04Å; I181-L200 HydrophobicContact CG2-CG 4.45Å; K198-L200 HydrophobicContact CD-CD2 4.37Å; K198-L200 HydrophobicContact CG-CD2 4.33Å; L200-F216 HydrophobicContact CB-CD1 4.27Å; L200-F216 HydrophobicContact CB-CD2 4.46Å; L200-F216 HydrophobicContact CB-CE1 3.96Å; L200-F216 HydrophobicContact CB-CE2 4.15Å; L200-F216 HydrophobicContact CB-CZ 3.89Å; L200-F216 HydrophobicContact CD1-CB 4.07Å; L200-F216 HydrophobicContact CD1-CD1 4.2Å; L200-F216 HydrophobicContact CD1-CD2 3.79Å; L200-F216 HydrophobicContact CD1-CE2 4.26Å; L200-F216 HydrophobicContact CD1-CG 3.76Å; L200-F216 HydrophobicContact CD2-CD1 3.92Å; L200-F216 HydrophobicContact CD2-CE1 4.32Å; L200-F216 HydrophobicContact CD2-CG 4.26Å; L200-F216 HydrophobicContact CG-CD1 4.36Å; L200-F216 HydrophobicContact CG-CG 4.4Å; L200-E219 HydrophobicContact CD2-CG 4.11Å; L200-I231 HydrophobicContact CD1-CB 4.4Å; L200-I231 HydrophobicContact CD1-CD1 4.45Å; L200-I231 HydrophobicContact CD1-CG2 4.11Å; L200-F233 HydrophobicContact CD1-CE2 3.8Å; L200-F233 HydrophobicContact CD1-CZ 4.35Å
201T97.3Very high94.6Very high70 Ų7078.8 Ų78.843%0.42938%0.377SS..EExtended strand (participates in β ladder)trans-99.2124.6179.8-580000109.5T176 R178 F216T176-T201 HydrophobicContact CG2-CG2 3.4Å; R178-T201 HydrophobicContact CG-CG2 4.43Å; T201-F216 WeakPolarHBondContact O-CZ 3.28Å
202I96.8Very high95.3Very high2 Ų270.4 Ų70.41%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-115.1115.3-178.6-59168.7000108.2L164 T176 K177 M179 I204 I214 F216 F233L164-I202 HydrophobicContact CD2-CD1 3.71Å; L164-I202 HydrophobicContact CD2-CG2 4.12Å; T176-I202 CarbonylContact C-O 3.08Å; T176-I202 WeakPolarHBondContact CA-O 3.46Å; K177-I202 PolarHBondContact N-O 2.85Å; K177-I202 PolarHBondContact O-N 2.85Å; M179-I202 HydrophobicContact CG-CD1 3.79Å; I202-I204 HydrophobicContact CG2-CG1 3.96Å; I202-I214 HydrophobicContact CG1-CG2 4.49Å; I202-I214 HydrophobicContact CG2-CD1 4.33Å; I202-I214 HydrophobicContact CG2-CG1 4.15Å; I202-I214 HydrophobicContact CG2-CG2 4.33Å; I202-F216 HydrophobicContact CD1-CE2 4.15Å; I202-F216 HydrophobicContact CG1-CE2 3.7Å; I202-F216 HydrophobicContact CG1-CZ 3.61Å; I202-F233 HydrophobicContact CD1-CB 3.87Å; I202-F233 HydrophobicContact CD1-CD1 3.89Å; I202-F233 HydrophobicContact CD1-CD2 3.54Å; I202-F233 HydrophobicContact CD1-CE1 4.33Å; I202-F233 HydrophobicContact CD1-CE2 3.99Å; I202-F233 HydrophobicContact CD1-CG 3.47Å; I202-F233 VanDerWaalsContact CD1-CG 3.47Å; I202-F233 HydrophobicContact CD1-CZ 4.36Å; I202-F233 HydrophobicContact CG1-CD2 4.45Å
203E97Very high95.7Very high135 Ų13574 Ų7463%0.63136%0.36SS*.EExtended strand (participates in β ladder)trans-91.6103.1174-65.4-178.5177.400109.9T176 K205 W208T176-E203 HydrophobicContact CG2-CG 4.42Å; E203-K205 PolarHBondContact O-N 3.1Å; E203-W208 VanDerWaalsContact O-CH2 3.32Å; E203-W208 WeakPolarHBondContact O-CH2 3.22Å
204I96.4Very high95.9Very high5 Ų570 Ų703%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-84.6111.6-180-57.8-179.4000108.2L164 V166 I171 G174 C175 K177 I202 W208 I235L164-I204 HydrophobicContact CD2-CD1 4Å; V166-I204 HydrophobicContact CB-CD1 4.42Å; V166-I204 HydrophobicContact CG1-CD1 3.92Å; V166-I204 HydrophobicContact CG1-CG2 4.46Å; V166-I204 HydrophobicContact CG2-CD1 3.53Å; I171-I204 HydrophobicContact CD1-CG2 3.88Å; G174-I204 WeakPolarHBondContact CA-O 3.16Å; C175-I204 PolarHBondContact N-O 3.41Å; C175-I204 WeakPolarHBondContact O-CA 3.4Å; C175-I204 WeakPolarHBondContact O-CB 3.41Å; C175-I204 PolarHBondContact O-N 2.85Å; K177-I204 HydrophobicContact CD-CD1 3.99Å; K177-I204 HydrophobicContact CG-CD1 3.97Å; I202-I204 HydrophobicContact CG2-CG1 3.96Å; I204-W208 HydrophobicContact CB-CE3 4.33Å; I204-W208 HydrophobicContact CG2-CE3 3.95Å; I204-I235 HydrophobicContact CG1-CD1 4.46Å; I204-I235 HydrophobicContact CG2-CD1 4.29Å
205K96.2Very high96.1Very high135 Ų13568 Ų6859%0.58735%0.346SS*.  trans-78.6153.8178.3-50.8-177.5174.8-176.60111.3E203 G207 W208E203-K205 PolarHBondContact O-N 3.1Å; K205-G207 PolarHBondContact O-N 2.83Å; K205-W208 HydrophobicContact CB-CD2 4.27Å; K205-W208 HydrophobicContact CB-CG 4.34Å; K205-W208 HydrophobicContact CB-CZ2 4.29Å; K205-W208 HydrophobicContact CD-CZ2 4.11Å; K205-W208 HydrophobicContact CG-CZ2 3.84Å; K205-W208 WeakPolarHBondContact O-CB 3.46Å; K205-W208 PolarHBondContact O-N 3.28Å
206K96.7Very high96.2Very high106 Ų10664.7 Ų64.746%0.46132%0.319SS..THydrogen-bonded Turntrans-52.5134.6177.2-64.7-178.6-177.7179.20111.6I171 S173 W208 P299 P304I171-K206 CarbonylContact O-C 3.53Å; I171-K206 WeakPolarHBondContact O-CA 3.32Å; S173-K206 WeakPolarHBondContact O-CE 3.48Å; S173-K206 WeakPolarHBondContact O-CG 3.32Å; K206-W208 PolarHBondContact O-N 3.25Å; K206-P299 HydrophobicContact CB-CB 4.23Å; K206-P299 HydrophobicContact CB-CG 4.23Å; K206-P304 HydrophobicContact CB-CB 4.22Å
207G96.1Very high96.3Very high0 Ų065.8 Ų65.80%033%0.331CS..THydrogen-bonded Turntrans753.7173.200000115.6I171 K205 K209 P299 P301I171-G207 PolarHBondContact O-N 2.89Å; K205-G207 PolarHBondContact O-N 2.83Å; G207-K209 PolarHBondContact O-N 3.06Å; G207-P299 WeakPolarHBondContact CA-O 3.46Å; G207-P301 WeakPolarHBondContact O-CD 3.35Å; G207-P301 VanDerWaalsContact O-CG 3.27Å; G207-P301 WeakPolarHBondContact O-CG 3.46Å
208W96.5Very high96.3Very high50 Ų5068.6 Ų68.619%0.18934%0.335CS..PPolyproline II helixtrans-51135.2178.2-89.911.6000112.6E203 I204 K205 K206 T212 I214 I235 R245E203-W208 VanDerWaalsContact O-CH2 3.32Å; E203-W208 WeakPolarHBondContact O-CH2 3.22Å; I204-W208 HydrophobicContact CB-CE3 4.33Å; I204-W208 HydrophobicContact CG2-CE3 3.95Å; K205-W208 HydrophobicContact CB-CD2 4.27Å; K205-W208 HydrophobicContact CB-CG 4.34Å; K205-W208 HydrophobicContact CB-CZ2 4.29Å; K205-W208 HydrophobicContact CD-CZ2 4.11Å; K205-W208 HydrophobicContact CG-CZ2 3.84Å; K205-W208 WeakPolarHBondContact O-CB 3.46Å; K205-W208 PolarHBondContact O-N 3.28Å; K206-W208 PolarHBondContact O-N 3.25Å; W208-T212 HydrophobicContact CD2-CG2 4.08Å; W208-T212 HydrophobicContact CE3-CG2 4.07Å; W208-T212 HydrophobicContact CZ3-CG2 4.32Å; W208-I214 HydrophobicContact CH2-CD1 4.49Å; W208-I214 HydrophobicContact CH2-CG1 4.04Å; W208-I214 HydrophobicContact CZ3-CD1 3.8Å; W208-I214 HydrophobicContact CZ3-CG1 3.82Å; W208-I235 HydrophobicContact CD2-CD1 4.28Å; W208-I235 HydrophobicContact CE3-CD1 3.21Å; W208-I235 HydrophobicContact CZ3-CD1 3.71Å; W208-R245 VanDerWaalsContact O-CZ 3.3Å; W208-R245 PolarHBondContact O-NH1 3.27Å; W208-R245 PolarHBondContact O-NH2 3.44Å
209K95.5Very high96.3Very high122 Ų12266.5 Ų66.553%0.5333%0.327SS..PPolyproline II helixtrans-79.2147.5-176.8-62.3-173.4179.9-172.10110.8G207 G211 T212 P301G207-K209 PolarHBondContact O-N 3.06Å; K209-G211 PolarHBondContact O-N 3.17Å; K209-T212 WeakPolarHBondContact O-CB 3.48Å; K209-T212 PolarHBondContact O-N 3.28Å; K209-T212 PolarHBondContact O-OG1 3.39Å; K209-P301 HydrophobicContact CG-CG 4.08Å
210E95Very high96.1Very high95 Ų9562.8 Ų62.844%0.44431%0.309SS..THydrogen-bonded Turntrans-52.5140.1166.7-160.3-163.9146.700110.1T212 K236E210-T212 VanDerWaalsContact C-N 3.34Å; E210-K236 HydrophobicContact CG-CD 4.05Å; E210-K236 WeakPolarHBondContact OE1-CD 3.35Å; E210-K236 IonicContact OE1-NZ 2.96Å; E210-K236 PolarHBondContact OE1-NZ 2.89Å
211G95.8Very high96Very high36 Ų3665.7 Ų65.737%0.37132%0.324SS..THydrogen-bonded Turntrans86.6-1.8-177.900000114.7K209 K213 I235K209-G211 PolarHBondContact O-N 3.17Å; G211-K213 PolarHBondContact O-N 3.31Å; G211-I235 PolarHBondContact N-O 3.16Å
212T96.2Very high95.8Very high40 Ų4065.1 Ų65.125%0.24532%0.317CS..  trans-59126.3171.9-62.80000109.5W208 K209 E210 I214 I235W208-T212 HydrophobicContact CD2-CG2 4.08Å; W208-T212 HydrophobicContact CE3-CG2 4.07Å; W208-T212 HydrophobicContact CZ3-CG2 4.32Å; K209-T212 WeakPolarHBondContact O-CB 3.48Å; K209-T212 PolarHBondContact O-N 3.28Å; K209-T212 PolarHBondContact O-OG1 3.39Å; E210-T212 VanDerWaalsContact C-N 3.34Å; T212-I214 HydrophobicContact CG2-CD1 4.46Å; T212-I235 PolarHBondContact O-N 3.34Å
213K97Very high95.4Very high121 Ų12167.7 Ų67.753%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-100.2130-177.3-55.5-167.5177.6-175.20110.4G211 V232 F233 I234G211-K213 PolarHBondContact O-N 3.31Å; K213-V232 HydrophobicContact CB-CG1 4.01Å; K213-V232 HydrophobicContact CD-CG1 4.35Å; K213-V232 HydrophobicContact CG-CG1 4.48Å; K213-F233 CarbonylContact C-O 3.56Å; K213-F233 WeakPolarHBondContact CA-O 3.33Å; K213-I234 HydrophobicContact CD-CD1 4.49Å; K213-I234 HydrophobicContact CG-CG1 4.17Å
214I96.6Very high94.8Very high26 Ų2664.2 Ų64.213%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-114.6112.7174.4-58.291.6000107.3I202 W208 T212 F216 V232 F233 I235I202-I214 HydrophobicContact CG1-CG2 4.49Å; I202-I214 HydrophobicContact CG2-CD1 4.33Å; I202-I214 HydrophobicContact CG2-CG1 4.15Å; I202-I214 HydrophobicContact CG2-CG2 4.33Å; W208-I214 HydrophobicContact CH2-CD1 4.49Å; W208-I214 HydrophobicContact CH2-CG1 4.04Å; W208-I214 HydrophobicContact CZ3-CD1 3.8Å; W208-I214 HydrophobicContact CZ3-CG1 3.82Å; T212-I214 HydrophobicContact CG2-CD1 4.46Å; I214-F216 HydrophobicContact CG2-CD2 4.43Å; I214-F216 HydrophobicContact CG2-CE2 3.76Å; I214-F216 HydrophobicContact CG2-CZ 4.14Å; I214-V232 CarbonylContact O-C 3.4Å; I214-V232 WeakPolarHBondContact O-CA 3.47Å; I214-F233 HydrophobicContact CB-CB 4.42Å; I214-F233 PolarHBondContact N-O 3.46Å; I214-F233 PolarHBondContact O-N 3.02Å; I214-I235 HydrophobicContact CD1-CD1 3.72Å; I214-I235 HydrophobicContact CD1-CG1 3.71Å
215T96.7Very high94.3Very high70 Ų7070.4 Ų70.443%0.42936%0.355SS..EExtended strand (participates in β ladder)trans-103.7128.7-175.5-58.90000110.4D230 V232T215-D230 HydrophobicContact CG2-CB 3.83Å; T215-D230 WeakPolarHBondContact CG2-OD2 3.42Å; T215-V232 HydrophobicContact CG2-CG2 4.09Å
216F96.8Very high94Very high36 Ų3664.8 Ų64.816%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-107.1108.2167.5-62.5-94000108.9L200 T201 I202 I214 R218 E219 I231 F233L200-F216 HydrophobicContact CB-CD1 4.27Å; L200-F216 HydrophobicContact CB-CD2 4.46Å; L200-F216 HydrophobicContact CB-CE1 3.96Å; L200-F216 HydrophobicContact CB-CE2 4.15Å; L200-F216 HydrophobicContact CB-CZ 3.89Å; L200-F216 HydrophobicContact CD1-CB 4.07Å; L200-F216 HydrophobicContact CD1-CD1 4.2Å; L200-F216 HydrophobicContact CD1-CD2 3.79Å; L200-F216 HydrophobicContact CD1-CE2 4.26Å; L200-F216 HydrophobicContact CD1-CG 3.76Å; L200-F216 HydrophobicContact CD2-CD1 3.92Å; L200-F216 HydrophobicContact CD2-CE1 4.32Å; L200-F216 HydrophobicContact CD2-CG 4.26Å; L200-F216 HydrophobicContact CG-CD1 4.36Å; L200-F216 HydrophobicContact CG-CG 4.4Å; T201-F216 WeakPolarHBondContact O-CZ 3.28Å; I202-F216 HydrophobicContact CD1-CE2 4.15Å; I202-F216 HydrophobicContact CG1-CE2 3.7Å; I202-F216 HydrophobicContact CG1-CZ 3.61Å; I214-F216 HydrophobicContact CG2-CD2 4.43Å; I214-F216 HydrophobicContact CG2-CE2 3.76Å; I214-F216 HydrophobicContact CG2-CZ 4.14Å; F216-R218 PolarHBondContact O-N 3.07Å; F216-E219 HydrophobicContact CB-CB 4.15Å; F216-E219 HydrophobicContact CB-CG 3.5Å; F216-E219 VanDerWaalsContact CB-CG 3.5Å; F216-I231 PolarHBondContact N-O 3Å; F216-I231 PolarHBondContact O-N 3.42Å; F216-F233 AromaticContact CD2-CD2 3.79Å; F216-F233 HydrophobicContact CD2-CD2 3.79Å; F216-F233 AromaticContact CD2-CE2 3.85Å; F216-F233 HydrophobicContact CD2-CE2 3.85Å; F216-F233 AromaticContact CE2-CD2 3.59Å; F216-F233 HydrophobicContact CE2-CD2 3.59Å; F216-F233 AromaticContact CE2-CE2 3.77Å; F216-F233 HydrophobicContact CE2-CE2 3.77Å
217P96.1Very high93.7Very high89 Ų8961.7 Ų61.758%0.57832%0.32SS*.THydrogen-bonded Turntrans-69.3134.4-169.726.7-33.7000111.8E219 D230P217-E219 PolarHBondContact O-N 2.89Å; P217-E219 VanDerWaalsContact O-N 3.15Å; P217-D230 WeakPolarHBondContact CA-OD1 3.28Å
218R95Very high93.6Very high147 Ų14762.6 Ų62.656%0.55533%0.326SS*.THydrogen-bonded Turntrans55.728.8174.3-51.8177.9-175.5170.70.9114.9F216 I227 P228 A229 D230F216-R218 PolarHBondContact O-N 3.07Å; R218-I227 HydrophobicContact CG-CG2 3.89Å; R218-P228 HydrophobicContact CB-CB 4.13Å; R218-A229 CarbonylContact C-O 3.6Å; R218-A229 WeakPolarHBondContact CA-O 3.41Å; R218-D230 PolarHBondContact N-OD1 2.93Å
219E95.5Very high93.5Very high26 Ų2660.5 Ų60.512%0.12132%0.319CS..  trans-85.4-7.9178.5-71.6-61.8151.300114.1I181 R183 K198 L200 F216 P217 A229 I231I181-E219 HydrophobicContact CD1-CB 4.24Å; R183-E219 WeakPolarHBondContact CD-O 3.24Å; R183-E219 IonicContact CZ-OE2 2.9Å; R183-E219 IonicContact NH1-OE1 3.17Å; R183-E219 IonicContact NH1-OE2 3Å; R183-E219 PolarHBondContact NH1-OE2 3.02Å; K198-E219 VanDerWaalsContact CD-OE2 3.28Å; K198-E219 WeakPolarHBondContact CD-OE2 3.26Å; K198-E219 WeakPolarHBondContact CE-OE2 3.04Å; K198-E219 IonicContact NZ-OE1 3.58Å; K198-E219 PolarHBondContact NZ-OE1 3.03Å; K198-E219 IonicContact NZ-OE2 3.92Å; K198-E219 PolarHBondContact NZ-OE2 3.18Å; L200-E219 HydrophobicContact CD2-CG 4.11Å; F216-E219 HydrophobicContact CB-CB 4.15Å; F216-E219 HydrophobicContact CB-CG 3.5Å; F216-E219 VanDerWaalsContact CB-CG 3.5Å; P217-E219 PolarHBondContact O-N 2.89Å; P217-E219 VanDerWaalsContact O-N 3.15Å; E219-A229 PolarHBondContact N-O 3.47Å; E219-I231 HydrophobicContact CB-CB 4.08Å; E219-I231 HydrophobicContact CB-CD1 3.68Å; E219-I231 HydrophobicContact CB-CG1 3.81Å; E219-I231 WeakPolarHBondContact O-CD1 3.23Å
220G93.6Very high93.6Very high3 Ų356.5 Ų56.53%0.03130%0.304CS..SBendtrans-71-170.517800000114.1R185 A229R185-G220 PolarHBondContact NH1-O 3.49Å; R185-G220 PolarHBondContact NH2-O 3.35Å; G220-A229 WeakPolarHBondContact CA-O 3.39Å; G220-A229 PolarHBondContact N-O 3.01Å
221D94Very high93.7Very high65 Ų6552.4 Ų52.435%0.34829%0.285SS..  trans-65.1137176.5-74.5-8.7000111R183 K184R183-D221 WeakPolarHBondContact CA-OD1 3.39Å; K184-D221 HydrophobicContact CB-CB 4.18Å; K184-D221 PolarHBondContact N-OD1 2.63Å
222E92.5Very high93.8Very high59 Ų5951.3 Ų51.328%0.27627%0.271SS..  trans-81.4139.1169.9-78.8169.7-172.600110.4K184 R185 L186 Y193 P228K184-E222 PolarHBondContact O-N 3.45Å; R185-E222 WeakPolarHBondContact CA-OE2 3.47Å; R185-E222 WeakPolarHBondContact CD-OE1 3.03Å; R185-E222 VanDerWaalsContact CD-OE2 3.24Å; R185-E222 WeakPolarHBondContact CD-OE2 3.34Å; R185-E222 IonicContact CZ-OE1 3.92Å; R185-E222 IonicContact NE-OE1 3.94Å; R185-E222 PolarHBondContact NE-OE1 3.07Å; L186-E222 HydrophobicContact CB-CB 4.48Å; L186-E222 PolarHBondContact N-OE2 3.02Å; Y193-E222 VanDerWaalsContact CE1-O 3.28Å; Y193-E222 WeakPolarHBondContact CE1-O 3.44Å; E222-P228 HydrophobicContact CB-CG 4.35Å; E222-P228 HydrophobicContact CG-CB 4.42Å; E222-P228 HydrophobicContact CG-CG 3.48Å; E222-P228 VanDerWaalsContact CG-CG 3.48Å
223T88.3Confident93.8Very high56 Ų5649.6 Ų49.634%0.34426%0.26SS..  trans-126.1155.4165.690.30000110.3N225 S226T223-N225 PolarHBondContact O-N 3.5Å; T223-N225 VanDerWaalsContact O-N 3.07Å; T223-S226 PolarHBondContact O-N 3.03Å; T223-S226 WeakPolarHBondContact OG1-CB 3.44Å; T223-S226 PolarHBondContact OG1-N 3.18Å; T223-S226 PolarHBondContact OG1-OG 3.2Å
224P84.8Confident93.9Very high61 Ų6145.1 Ų45.140%0.39624%0.242SC..THydrogen-bonded Turntrans-57.1-26.8-174.6-28.434.2000115.4L186 Y193L186-P224 HydrophobicContact CD1-CG 3.98Å; L186-P224 HydrophobicContact CD2-CB 4.34Å; L186-P224 HydrophobicContact CD2-CG 4.25Å; Y193-P224 VanDerWaalsContact OH-CD 3.22Å; Y193-P224 WeakPolarHBondContact OH-CD 3.23Å
225N86Confident93.9Very high136 Ų13643.9 Ų43.973%0.72724%0.235SC*.THydrogen-bonded Turntrans-128.119.1-170.6-64.2-42.9000113.3T223T223-N225 PolarHBondContact O-N 3.5Å; T223-N225 VanDerWaalsContact O-N 3.07Å
226S89.1Confident93.9Very high16 Ų1643.6 Ų43.611%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-132.9155.9176.571.70000111.5K155 D157 T223K155-S226 WeakPolarHBondContact O-CA 3.41Å; K155-S226 WeakPolarHBondContact O-CB 3.42Å; D157-S226 VanDerWaalsContact OD1-CB 3.23Å; D157-S226 WeakPolarHBondContact OD1-CB 3.19Å; D157-S226 PolarHBondContact OD1-OG 2.89Å; D157-S226 WeakPolarHBondContact OD2-CB 3.13Å; D157-S226 PolarHBondContact OD2-OG 3.47Å; T223-S226 PolarHBondContact O-N 3.03Å; T223-S226 WeakPolarHBondContact OG1-CB 3.44Å; T223-S226 PolarHBondContact OG1-N 3.18Å; T223-S226 PolarHBondContact OG1-OG 3.2Å
227I91Very high93.9Very high42 Ų4243.4 Ų43.422%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-79.9133.2164.4-58171000106.6L154 K155 Q156 D157 R218L154-I227 HydrophobicContact CB-CD1 4.22Å; L154-I227 HydrophobicContact CB-CG1 3.8Å; L154-I227 WeakPolarHBondContact O-CD1 3.4Å; K155-I227 PolarHBondContact O-N 2.94Å; Q156-I227 WeakPolarHBondContact CA-O 3.45Å; Q156-I227 HydrophobicContact CB-CB 3.92Å; Q156-I227 HydrophobicContact CB-CG2 4.31Å; Q156-I227 HydrophobicContact CG-CB 3.96Å; Q156-I227 HydrophobicContact CG-CG2 3.92Å; D157-I227 PolarHBondContact N-O 3.45Å; R218-I227 HydrophobicContact CG-CG2 3.89Å
228P93.6Very high94Very high19 Ų1945 Ų4512%0.12323%0.227CC..PPolyproline II helixtrans-55.3145.8-179-27.535.8000112.9Q156 R218 E222Q156-P228 WeakPolarHBondContact CG-O 3.11Å; Q156-P228 PolarHBondContact NE2-O 2.81Å; R218-P228 HydrophobicContact CB-CB 4.13Å; E222-P228 HydrophobicContact CB-CG 4.35Å; E222-P228 HydrophobicContact CG-CB 4.42Å; E222-P228 HydrophobicContact CG-CG 3.48Å; E222-P228 VanDerWaalsContact CG-CG 3.48Å
229A95Very high94.1Very high5 Ų545 Ų454%0.04124%0.237CC..PPolyproline II helixtrans-60.4148.7176.400000111.8D157 P158 V160 R218 E219 G220D157-A229 HydrophobicContact CB-CB 3.9Å; P158-A229 WeakPolarHBondContact O-CB 3.37Å; V160-A229 HydrophobicContact CG2-CB 4.05Å; R218-A229 CarbonylContact C-O 3.6Å; R218-A229 WeakPolarHBondContact CA-O 3.41Å; E219-A229 PolarHBondContact N-O 3.47Å; G220-A229 WeakPolarHBondContact CA-O 3.39Å; G220-A229 PolarHBondContact N-O 3.01Å
230D96.9Very high94.2Very high39 Ų3945.5 Ų45.521%0.20924%0.24CC..PPolyproline II helixtrans-73.5142.8165-71.7-3.5000110Q156 P159 V160 T215 P217 R218 V232Q156-D230 PolarHBondContact NE2-OD1 3.31Å; P159-D230 CarbonylContact C-O 3.57Å; P159-D230 VanDerWaalsContact CA-O 3.29Å; P159-D230 WeakPolarHBondContact CA-O 3.48Å; P159-D230 HydrophobicContact CB-CB 4.39Å; V160-D230 PolarHBondContact N-O 2.99Å; T215-D230 HydrophobicContact CG2-CB 3.83Å; T215-D230 WeakPolarHBondContact CG2-OD2 3.42Å; P217-D230 WeakPolarHBondContact CA-OD1 3.28Å; R218-D230 PolarHBondContact N-OD1 2.93Å; D230-V232 HydrophobicContact CB-CG2 4.4Å
231I96.8Very high94.3Very high8 Ų851.2 Ų51.24%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-97121169.3-65.2-177.3000108.4V160 I181 L200 F216 E219 F233V160-I231 HydrophobicContact CB-CG1 4.42Å; V160-I231 WeakPolarHBondContact O-CA 3.39Å; I181-I231 HydrophobicContact CB-CD1 4.38Å; I181-I231 HydrophobicContact CD1-CD1 3.36Å; I181-I231 HydrophobicContact CG1-CD1 4.45Å; I181-I231 HydrophobicContact CG2-CD1 4.2Å; L200-I231 HydrophobicContact CD1-CB 4.4Å; L200-I231 HydrophobicContact CD1-CD1 4.45Å; L200-I231 HydrophobicContact CD1-CG2 4.11Å; F216-I231 PolarHBondContact N-O 3Å; F216-I231 PolarHBondContact O-N 3.42Å; E219-I231 HydrophobicContact CB-CB 4.08Å; E219-I231 HydrophobicContact CB-CD1 3.68Å; E219-I231 HydrophobicContact CB-CG1 3.81Å; E219-I231 WeakPolarHBondContact O-CD1 3.23Å; I231-F233 HydrophobicContact CG2-CD2 4.22Å; I231-F233 HydrophobicContact CG2-CE2 3.6Å; I231-F233 HydrophobicContact CG2-CZ 4.04Å
232V97.5Very high94.4Very high13 Ų1353.9 Ų53.98%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-117.3118.2-175.3-175.70000109.8P159 V160 I161 H162 K213 I214 T215 D230 I234P159-V232 HydrophobicContact CB-CG2 3.96Å; V160-V232 PolarHBondContact O-N 3.12Å; I161-V232 CarbonylContact C-O 3.59Å; I161-V232 WeakPolarHBondContact CA-O 3.48Å; I161-V232 HydrophobicContact CG1-CB 4.45Å; H162-V232 PolarHBondContact N-O 3.34Å; K213-V232 HydrophobicContact CB-CG1 4.01Å; K213-V232 HydrophobicContact CD-CG1 4.35Å; K213-V232 HydrophobicContact CG-CG1 4.48Å; I214-V232 CarbonylContact O-C 3.4Å; I214-V232 WeakPolarHBondContact O-CA 3.47Å; T215-V232 HydrophobicContact CG2-CG2 4.09Å; D230-V232 HydrophobicContact CB-CG2 4.4Å; V232-I234 HydrophobicContact CG1-CG1 4.3Å
233F98Very high94.7Very high4 Ų451.5 Ų51.52%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-92.4127.2169.1-65.7-90.2000110H162 L164 M179 I181 L200 I202 K213 I214 F216 I231H162-F233 HydrophobicContact CB-CD1 3.67Å; H162-F233 HydrophobicContact CB-CE1 3.72Å; H162-F233 HydrophobicContact CB-CG 4.49Å; H162-F233 CarbonylContact O-C 3.51Å; H162-F233 VanDerWaalsContact O-CA 3.26Å; H162-F233 WeakPolarHBondContact O-CA 3.37Å; L164-F233 HydrophobicContact CB-CB 4.4Å; L164-F233 HydrophobicContact CB-CD1 4.41Å; M179-F233 HydrophobicContact CB-CE1 3.87Å; M179-F233 HydrophobicContact CB-CZ 3.65Å; M179-F233 HydrophobicContact CE-CE1 3.97Å; M179-F233 HydrophobicContact CG-CD1 4.3Å; M179-F233 HydrophobicContact CG-CE1 3.7Å; M179-F233 HydrophobicContact CG-CZ 3.93Å; I181-F233 HydrophobicContact CG2-CZ 4.42Å; L200-F233 HydrophobicContact CD1-CE2 3.8Å; L200-F233 HydrophobicContact CD1-CZ 4.35Å; I202-F233 HydrophobicContact CD1-CB 3.87Å; I202-F233 HydrophobicContact CD1-CD1 3.89Å; I202-F233 HydrophobicContact CD1-CD2 3.54Å; I202-F233 HydrophobicContact CD1-CE1 4.33Å; I202-F233 HydrophobicContact CD1-CE2 3.99Å; I202-F233 HydrophobicContact CD1-CG 3.47Å; I202-F233 VanDerWaalsContact CD1-CG 3.47Å; I202-F233 HydrophobicContact CD1-CZ 4.36Å; I202-F233 HydrophobicContact CG1-CD2 4.45Å; K213-F233 CarbonylContact C-O 3.56Å; K213-F233 WeakPolarHBondContact CA-O 3.33Å; I214-F233 HydrophobicContact CB-CB 4.42Å; I214-F233 PolarHBondContact N-O 3.46Å; I214-F233 PolarHBondContact O-N 3.02Å; F216-F233 AromaticContact CD2-CD2 3.79Å; F216-F233 HydrophobicContact CD2-CD2 3.79Å; F216-F233 AromaticContact CD2-CE2 3.85Å; F216-F233 HydrophobicContact CD2-CE2 3.85Å; F216-F233 AromaticContact CE2-CD2 3.59Å; F216-F233 HydrophobicContact CE2-CD2 3.59Å; F216-F233 AromaticContact CE2-CE2 3.77Å; F216-F233 HydrophobicContact CE2-CE2 3.77Å; I231-F233 HydrophobicContact CG2-CD2 4.22Å; I231-F233 HydrophobicContact CG2-CE2 3.6Å; I231-F233 HydrophobicContact CG2-CZ 4.04Å
234I97.9Very high95.1Very high27 Ų2755.9 Ų55.914%0.13829%0.288CS..EExtended strand (participates in β ladder)trans-106.8121.4174.7-54.9-174.7000108I161 H162 L164 K213 V232 K236I161-I234 HydrophobicContact CG2-CD1 3.48Å; I161-I234 VanDerWaalsContact CG2-CD1 3.48Å; I161-I234 HydrophobicContact CG2-CG1 3.83Å; H162-I234 PolarHBondContact O-N 3.14Å; L164-I234 PolarHBondContact N-O 3.09Å; K213-I234 HydrophobicContact CD-CD1 4.49Å; K213-I234 HydrophobicContact CG-CG1 4.17Å; V232-I234 HydrophobicContact CG1-CG1 4.3Å; I234-K236 PolarHBondContact O-N 3.04Å
235I97.1Very high95.7Very high0 Ų054.9 Ų54.90%028%0.276CS..EExtended strand (participates in β ladder)trans-68.4129.5177.8-68.8178.5000110V166 I171 I204 W208 G211 T212 I214V166-I235 HydrophobicContact CB-CG2 4.44Å; V166-I235 HydrophobicContact CG2-CG1 4.5Å; V166-I235 HydrophobicContact CG2-CG2 4.04Å; I171-I235 HydrophobicContact CD1-CG2 4.3Å; I204-I235 HydrophobicContact CG1-CD1 4.46Å; I204-I235 HydrophobicContact CG2-CD1 4.29Å; W208-I235 HydrophobicContact CD2-CD1 4.28Å; W208-I235 HydrophobicContact CE3-CD1 3.21Å; W208-I235 HydrophobicContact CZ3-CD1 3.71Å; G211-I235 PolarHBondContact N-O 3.16Å; T212-I235 PolarHBondContact O-N 3.34Å; I214-I235 HydrophobicContact CD1-CD1 3.72Å; I214-I235 HydrophobicContact CD1-CG1 3.71Å
236K97.5Very high96.2Very high64 Ų6452 Ų5228%0.27826%0.26SS..EExtended strand (participates in β ladder)trans-123.4138.6171.8-71.9-64.2-172.1170.50109.1E163 L164 R165 V166 E210 I234 K238E163-K236 HydrophobicContact CB-CG 4.18Å; E163-K236 HydrophobicContact CG-CG 4.24Å; L164-K236 PolarHBondContact O-N 3.07Å; R165-K236 CarbonylContact C-O 3.53Å; R165-K236 VanDerWaalsContact CA-O 3.3Å; R165-K236 WeakPolarHBondContact CA-O 3.17Å; R165-K236 HydrophobicContact CG-CB 4.37Å; V166-K236 PolarHBondContact N-O 2.99Å; E210-K236 HydrophobicContact CG-CD 4.05Å; E210-K236 WeakPolarHBondContact OE1-CD 3.35Å; E210-K236 IonicContact OE1-NZ 2.96Å; E210-K236 PolarHBondContact OE1-NZ 2.89Å; I234-K236 PolarHBondContact O-N 3.04Å; K236-K238 PolarHBondContact O-N 3.28Å
237D96.6Very high96.5Very high32 Ų3253.3 Ų53.317%0.17128%0.277CS..EExtended strand (participates in β ladder)trans-66.9136.3172.8-70-11.2000108.8R245D237-R245 IonicContact OD1-NH1 3.31Å; D237-R245 PolarHBondContact OD1-NH1 2.96Å; D237-R245 VanDerWaalsContact OD2-CB 3.31Å; D237-R245 WeakPolarHBondContact OD2-CB 3.4Å; D237-R245 WeakPolarHBondContact OD2-CD 3.43Å; D237-R245 IonicContact OD2-NE 3.5Å; D237-R245 IonicContact OD2-NH1 3.62Å
238K97.4Very high96.7Very high123 Ų12352 Ų5254%0.53527%0.272SS..PPolyproline II helixtrans-80.7137.6168.8-174.7-177176.1-175.70108.2R165 V166 K236 H240R165-K238 HydrophobicContact CB-CB 4.4Å; V166-K238 PolarHBondContact O-N 3.19Å; K236-K238 PolarHBondContact O-N 3.28Å; K238-H240 PolarHBondContact O-N 2.64Å
239D97Very high96.9Very high146 Ų14653.2 Ų53.278%0.78128%0.277SS*.PPolyproline II helixtrans-51.3130.8173.2-60.6-36.8000110.9
240H97.7Very high97.1Very high38 Ų3853 Ų5318%0.17628%0.275CS..  trans-116.7134.9-177.8-176.3-80.4000110.1L168 E169 K238 K242 F243L168-H240 HydrophobicContact CD1-CB 3.94Å; L168-H240 HydrophobicContact CG-CB 4.39Å; E169-H240 IonicContact OE1-CD2 3.04Å; E169-H240 PolarHBondContact OE1-CD2 2.8Å; E169-H240 VanDerWaalsContact OE1-CD2 3.31Å; E169-H240 IonicContact OE1-NE2 2.76Å; E169-H240 PolarHBondContact OE1-NE2 3.43Å; E169-H240 IonicContact OE2-CD2 2.95Å; K238-H240 PolarHBondContact O-N 2.64Å; H240-K242 VanDerWaalsContact C-N 3.29Å; H240-K242 PolarHBondContact ND1-N 2.94Å; H240-K242 PolarHBondContact O-N 2.91Å; H240-F243 WeakPolarHBondContact CB-O 3.49Å; H240-F243 AromaticContact CE1-CD2 3.07Å; H240-F243 WeakPolarHBondContact CE1-CD2 3.19Å; H240-F243 AromaticContact CE1-CE2 3.69Å; H240-F243 AromaticContact CE1-CG 3.87Å; H240-F243 WeakPolarHBondContact ND1-CB 3.23Å; H240-F243 AromaticContact ND1-CD2 3.39Å; H240-F243 WeakPolarHBondContact ND1-CD2 3.34Å; H240-F243 AromaticContact ND1-CG 3.74Å; H240-F243 PolarHBondContact ND1-N 3.28Å; H240-F243 AromaticContact NE2-CD2 3.76Å
241P96.6Very high97.1Very high122 Ų12252 Ų5279%0.79227%0.27SS*.SBendtrans-66.3-25-171.724.3-35.5000114.9
242K96.3Very high97.2Very high121 Ų12153.9 Ų53.953%0.52628%0.276SS..SBendtrans-119.1-18.5-175.3-56.4-179.6178.81780114.8H240 Y252 P270H240-K242 VanDerWaalsContact C-N 3.29Å; H240-K242 PolarHBondContact ND1-N 2.94Å; H240-K242 PolarHBondContact O-N 2.91Å; K242-Y252 HydrophobicContact CB-CD2 4.24Å; K242-Y252 HydrophobicContact CB-CE2 4.25Å; K242-Y252 WeakPolarHBondContact O-CD2 3.45Å; K242-P270 HydrophobicContact CD-CB 4.48Å; K242-P270 HydrophobicContact CD-CG 4.13Å
243F97.8Very high97.2Very high10 Ų1055.3 Ų55.34%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-130.4144.8-165-59.5-58.6000109.6L168 H240 I250 I251 Y252 P270 L272 L310L168-F243 HydrophobicContact CD1-CB 3.86Å; H240-F243 WeakPolarHBondContact CB-O 3.49Å; H240-F243 AromaticContact CE1-CD2 3.07Å; H240-F243 WeakPolarHBondContact CE1-CD2 3.19Å; H240-F243 AromaticContact CE1-CE2 3.69Å; H240-F243 AromaticContact CE1-CG 3.87Å; H240-F243 WeakPolarHBondContact ND1-CB 3.23Å; H240-F243 AromaticContact ND1-CD2 3.39Å; H240-F243 WeakPolarHBondContact ND1-CD2 3.34Å; H240-F243 AromaticContact ND1-CG 3.74Å; H240-F243 PolarHBondContact ND1-N 3.28Å; H240-F243 AromaticContact NE2-CD2 3.76Å; F243-I250 HydrophobicContact CD1-CD1 4.48Å; F243-I251 CarbonylContact C-O 3.13Å; F243-I251 VanDerWaalsContact CA-O 3.23Å; F243-I251 WeakPolarHBondContact CA-O 3.48Å; F243-Y252 HydrophobicContact CD1-CD2 4.15Å; F243-Y252 HydrophobicContact CD1-CG 4.46Å; F243-Y252 AromaticContact CE1-CD2 3.89Å; F243-Y252 HydrophobicContact CE1-CD2 3.89Å; F243-Y252 HydrophobicContact CE1-CG 4.17Å; F243-P270 HydrophobicContact CE1-CG 4.2Å; F243-P270 WeakPolarHBondContact CE1-O 3.35Å; F243-P270 HydrophobicContact CZ-CB 4.05Å; F243-P270 HydrophobicContact CZ-CG 3.96Å; F243-P270 VanDerWaalsContact CZ-O 3.27Å; F243-P270 WeakPolarHBondContact CZ-O 3.2Å; F243-L272 HydrophobicContact CD2-CD2 3.58Å; F243-L272 HydrophobicContact CD2-CG 4.32Å; F243-L272 HydrophobicContact CE2-CD2 3.89Å; F243-L272 HydrophobicContact CE2-CG 4.37Å; F243-L272 HydrophobicContact CG-CD2 4.44Å; F243-L310 HydrophobicContact CE1-CD1 4.28Å
244K97.2Very high97.1Very high147 Ų14755.3 Ų55.364%0.63929%0.286SS*.EExtended strand (participates in β ladder)trans-119.1140.8167.1-67-178.4178.7177.60108.6I250 I251K244-I250 CarbonylContact O-C 3.59Å; K244-I250 WeakPolarHBondContact O-CA 3.31Å; K244-I251 HydrophobicContact CB-CB 4.4Å; K244-I251 PolarHBondContact N-O 2.66Å; K244-I251 PolarHBondContact O-N 3.43Å
245R97.2Very high97.1Very high41 Ų4160.7 Ų60.716%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-79.7139.4176.1-170.9-179.4-174.2158.66.9110.3L168 W208 D237 G247 L298L168-R245 HydrophobicContact CD2-CB 4Å; L168-R245 HydrophobicContact CD2-CG 4.46Å; W208-R245 VanDerWaalsContact O-CZ 3.3Å; W208-R245 PolarHBondContact O-NH1 3.27Å; W208-R245 PolarHBondContact O-NH2 3.44Å; D237-R245 IonicContact OD1-NH1 3.31Å; D237-R245 PolarHBondContact OD1-NH1 2.96Å; D237-R245 VanDerWaalsContact OD2-CB 3.31Å; D237-R245 WeakPolarHBondContact OD2-CB 3.4Å; D237-R245 WeakPolarHBondContact OD2-CD 3.43Å; D237-R245 IonicContact OD2-NE 3.5Å; D237-R245 IonicContact OD2-NH1 3.62Å; R245-G247 PolarHBondContact NE-O 2.82Å; R245-L298 HydrophobicContact CG-CD1 3.9Å
246D96.2Very high97.1Very high74 Ų7460.9 Ų60.940%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-134.186.4168.9-179.418.9000108.8S248 N249 I251D246-S248 PolarHBondContact O-N 3.4Å; D246-S248 VanDerWaalsContact O-N 3.1Å; D246-N249 CarbonylContact C-O 3.51Å; D246-N249 HydrophobicContact CB-CB 4.42Å; D246-N249 PolarHBondContact N-O 3.45Å; D246-N249 WeakPolarHBondContact O-CA 3.46Å; D246-N249 WeakPolarHBondContact O-CB 3.32Å; D246-N249 PolarHBondContact O-N 2.92Å; D246-I251 HydrophobicContact CB-CD1 3.8Å; D246-I251 HydrophobicContact CB-CG1 4.06Å
247G95Very high97Very high45 Ų4559.9 Ų59.946%0.46431%0.31SS..THydrogen-bonded Turntrans63.4-110.6-172.800000112.7R245R245-G247 PolarHBondContact NE-O 2.82Å
248S96.4Very high97Very high14 Ų1460.2 Ų60.210%0.09831%0.312CS..THydrogen-bonded Turntrans-99.4-7.3171.7-73.80000112.8D246 L298 F300D246-S248 PolarHBondContact O-N 3.4Å; D246-S248 VanDerWaalsContact O-N 3.1Å; S248-L298 PolarHBondContact O-N 3.11Å; S248-F300 VanDerWaalsContact CB-CE1 3.49Å; S248-F300 WeakPolarHBondContact OG-CD1 3.3Å
249N97.8Very high96.9Very high44 Ų4463.9 Ų63.924%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-84.7162.1171.9-56.8-32.6000109.9D246 D309 L311D246-N249 CarbonylContact C-O 3.51Å; D246-N249 HydrophobicContact CB-CB 4.42Å; D246-N249 PolarHBondContact N-O 3.45Å; D246-N249 WeakPolarHBondContact O-CA 3.46Å; D246-N249 WeakPolarHBondContact O-CB 3.32Å; D246-N249 PolarHBondContact O-N 2.92Å; N249-D309 CarbonylContact C-O 3.6Å; N249-D309 WeakPolarHBondContact CA-O 3.44Å; N249-D309 WeakPolarHBondContact CB-O 3.46Å; N249-D309 PolarHBondContact OD1-N 3.1Å; N249-L311 HydrophobicContact CB-CD1 4.16Å; N249-L311 HydrophobicContact CB-CG 4.31Å
250I97.6Very high96.9Very high0 Ų060.5 Ų60.50%030%0.302CS..EExtended strand (participates in β ladder)trans-125.3141.2169.662-179.2000108.9F243 K244 L272 Y296 L298 D309 L310 L311F243-I250 HydrophobicContact CD1-CD1 4.48Å; K244-I250 CarbonylContact O-C 3.59Å; K244-I250 WeakPolarHBondContact O-CA 3.31Å; I250-L272 HydrophobicContact CD1-CD1 3.75Å; I250-L272 HydrophobicContact CD1-CG 3.64Å; I250-L272 HydrophobicContact CG2-CD1 3.91Å; I250-Y296 VanDerWaalsContact CD1-O 3.28Å; I250-Y296 WeakPolarHBondContact CD1-O 3.27Å; I250-L298 HydrophobicContact CG2-CD1 4.37Å; I250-L298 HydrophobicContact CG2-CG 3.92Å; I250-D309 PolarHBondContact N-O 3.19Å; I250-L310 HydrophobicContact CD1-CB 4.42Å; I250-L310 HydrophobicContact CD1-CD1 3.88Å; I250-L310 HydrophobicContact CG1-CB 4.14Å; I250-L310 HydrophobicContact CG1-CD1 3.61Å; I250-L310 HydrophobicContact CG1-CG 4.44Å; I250-L310 WeakPolarHBondContact O-CA 3.4Å; I250-L311 PolarHBondContact O-N 2.67Å
251I98.1Very high96.8Very high19 Ų1958.8 Ų58.810%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-105.8126.1178.6-58171.7000108.1F243 K244 D246 L311 E313F243-I251 CarbonylContact C-O 3.13Å; F243-I251 VanDerWaalsContact CA-O 3.23Å; F243-I251 WeakPolarHBondContact CA-O 3.48Å; K244-I251 HydrophobicContact CB-CB 4.4Å; K244-I251 PolarHBondContact N-O 2.66Å; K244-I251 PolarHBondContact O-N 3.43Å; D246-I251 HydrophobicContact CB-CD1 3.8Å; D246-I251 HydrophobicContact CB-CG1 4.06Å; I251-L311 CarbonylContact C-O 3.57Å; I251-L311 VanDerWaalsContact CA-O 3.27Å; I251-L311 WeakPolarHBondContact CA-O 3.48Å; I251-L311 HydrophobicContact CG1-CB 4.22Å; I251-L311 HydrophobicContact CG1-CD1 4.28Å; I251-E313 HydrophobicContact CG2-CB 4.11Å
252Y98.1Very high96.7Very high47 Ų4756.2 Ų56.218%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-110.9123.3169.1173.8-112000109.1K242 F243 A254 V269 P270 L311 I312 E313K242-Y252 HydrophobicContact CB-CD2 4.24Å; K242-Y252 HydrophobicContact CB-CE2 4.25Å; K242-Y252 WeakPolarHBondContact O-CD2 3.45Å; F243-Y252 HydrophobicContact CD1-CD2 4.15Å; F243-Y252 HydrophobicContact CD1-CG 4.46Å; F243-Y252 AromaticContact CE1-CD2 3.89Å; F243-Y252 HydrophobicContact CE1-CD2 3.89Å; F243-Y252 HydrophobicContact CE1-CG 4.17Å; Y252-A254 HydrophobicContact CD1-CB 4.25Å; Y252-A254 HydrophobicContact CE1-CB 3.88Å; Y252-A254 PolarHBondContact O-N 3.49Å; Y252-V269 HydrophobicContact CD1-CG1 4.01Å; Y252-V269 HydrophobicContact CE1-CG1 4.47Å; Y252-P270 HydrophobicContact CD2-CG 3.82Å; Y252-P270 HydrophobicContact CE1-CG 4.38Å; Y252-P270 HydrophobicContact CE2-CG 3.47Å; Y252-P270 VanDerWaalsContact CE2-CG 3.47Å; Y252-P270 HydrophobicContact CG-CG 4.43Å; Y252-P270 VanDerWaalsContact CZ-CD 3.43Å; Y252-L311 PolarHBondContact N-O 2.92Å; Y252-I312 HydrophobicContact CD1-CG2 4.33Å; Y252-I312 CarbonylContact O-C 3.44Å; Y252-I312 WeakPolarHBondContact O-CA 3.3Å; Y252-E313 PolarHBondContact O-N 3.24Å
253T97.6Very high96.7Very high44 Ų4455.3 Ų55.327%0.2728%0.281SS..EExtended strand (participates in β ladder)trans-88.5108.5176.7-53.20000109.6E313 E315T253-E313 CarbonylContact C-O 3.56Å; T253-E313 WeakPolarHBondContact CA-O 3.1Å; T253-E315 HydrophobicContact CG2-CB 3.87Å; T253-E315 WeakPolarHBondContact CG2-OE2 3.5Å
254A97Very high96.5Very high3 Ų355.7 Ų55.73%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-90.6114.4176.100000109.9Y252 I267 I312 E313 F314 E315Y252-A254 HydrophobicContact CD1-CB 4.25Å; Y252-A254 HydrophobicContact CE1-CB 3.88Å; Y252-A254 PolarHBondContact O-N 3.49Å; A254-I267 HydrophobicContact CB-CD1 3.85Å; A254-I312 HydrophobicContact CB-CG2 3.71Å; A254-E313 PolarHBondContact N-O 3.17Å; A254-F314 HydrophobicContact CB-CD1 4.12Å; A254-F314 HydrophobicContact CB-CE1 4.24Å; A254-F314 WeakPolarHBondContact O-CA 3.41Å; A254-E315 PolarHBondContact O-N 3.41Å
255K96.6Very high96.4Very high141 Ų14149.1 Ų49.161%0.61326%0.261SS*.EExtended strand (participates in β ladder)trans-82.8123.6173.1-65.2-171.7176.6-154.50109.7E315K255-E315 WeakPolarHBondContact CA-O 3.46Å; K255-E315 WeakPolarHBondContact CE-OE1 3.21Å; K255-E315 VanDerWaalsContact CE-OE2 3.28Å; K255-E315 WeakPolarHBondContact CE-OE2 3.27Å; K255-E315 HydrophobicContact CG-CB 4.27Å; K255-E315 IonicContact NZ-OE1 3.33Å; K255-E315 PolarHBondContact NZ-OE1 3.02Å; K255-E315 IonicContact NZ-OE2 3.9Å
256I96.9Very high96.3Very high3 Ų351.5 Ų51.52%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-129.7150.817661.3169.3000109.8E260 A261 I267 V285 F314 E315 V316 S317I256-E260 HydrophobicContact CB-CB 4.1Å; I256-A261 HydrophobicContact CD1-CB 3.82Å; I256-A261 HydrophobicContact CG1-CB 4.45Å; I256-I267 HydrophobicContact CG2-CG2 3.94Å; I256-V285 HydrophobicContact CD1-CB 3.89Å; I256-V285 HydrophobicContact CD1-CG1 3.77Å; I256-V285 HydrophobicContact CD1-CG2 4.25Å; I256-F314 HydrophobicContact CD1-CB 4.46Å; I256-F314 HydrophobicContact CD1-CD1 3.78Å; I256-F314 HydrophobicContact CD1-CE1 4.5Å; I256-F314 HydrophobicContact CD1-CG 4.46Å; I256-F314 HydrophobicContact CG1-CD1 4.24Å; I256-F314 HydrophobicContact CG2-CD1 4.14Å; I256-F314 HydrophobicContact CG2-CE1 4.44Å; I256-E315 PolarHBondContact N-O 3.27Å; I256-V316 HydrophobicContact CD1-CG2 4.34Å; I256-V316 HydrophobicContact CG1-CG2 4.21Å; I256-V316 CarbonylContact O-C 3.28Å; I256-V316 WeakPolarHBondContact O-CA 3.47Å; I256-S317 PolarHBondContact O-N 3.5Å
257S97Very high96.3Very high43 Ų4349 Ų4930%0.30127%0.27SS..EExtended strand (participates in β ladder)trans-72.4159.6174.463.90000112R259 E260 A261S257-R259 PolarHBondContact O-N 2.89Å; S257-E260 WeakPolarHBondContact CB-OE2 3.4Å; S257-E260 PolarHBondContact N-OE2 3.36Å; S257-E260 WeakPolarHBondContact O-CB 3.48Å; S257-E260 PolarHBondContact O-N 3.09Å; S257-E260 VanDerWaalsContact O-N 3.15Å; S257-E260 WeakPolarHBondContact OG-CB 3.27Å; S257-E260 VanDerWaalsContact OG-CD 3.31Å; S257-E260 VanDerWaalsContact OG-CG 3.3Å; S257-E260 WeakPolarHBondContact OG-CG 3.43Å; S257-E260 PolarHBondContact OG-N 3.04Å; S257-E260 PolarHBondContact OG-OE2 2.8Å; S257-A261 WeakPolarHBondContact O-CB 3.36Å; S257-A261 PolarHBondContact O-N 2.95Å
258L95.6Very high96.3Very high40 Ų4052.1 Ų52.121%0.20928%0.276CS..Hα-helixtrans-54.7-37171.7-179.862.7000112.7A261 L262 V316 S317 F318L258-A261 PolarHBondContact O-N 3.4Å; L258-L262 HydrophobicContact CD1-CD1 4.01Å; L258-L262 HydrophobicContact CD1-CG 4.2Å; L258-L262 HydrophobicContact CG-CD1 4.08Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3.44Å; L258-L262 VanDerWaalsContact O-N 3.1Å; L258-V316 HydrophobicContact CB-CG1 4.37Å; L258-V316 HydrophobicContact CD1-CG1 4.26Å; L258-S317 PolarHBondContact N-O 3.16Å; L258-F318 HydrophobicContact CD1-CD1 4.35Å; L258-F318 HydrophobicContact CD1-CE1 3.75Å; L258-F318 HydrophobicContact CD1-CE2 4.33Å; L258-F318 HydrophobicContact CD1-CZ 3.73Å; L258-F318 HydrophobicContact CD2-CD1 3.74Å; L258-F318 HydrophobicContact CD2-CE1 3.71Å; L258-F318 HydrophobicContact CG-CD1 4.47Å; L258-F318 HydrophobicContact CG-CE1 4.28Å
259R94.6Very high96.4Very high200 Ų20051.4 Ų51.476%0.75527%0.271SS*.Hα-helixtrans-63.6-48.5176.8-179.8-176.6177.3-165.6-1111.1S257 A261 L262 C263S257-R259 PolarHBondContact O-N 2.89Å; R259-A261 VanDerWaalsContact C-N 3.28Å; R259-A261 PolarHBondContact O-N 3.46Å; R259-L262 PolarHBondContact O-N 3.34Å; R259-C263 VanDerWaalsContact O-CB 3.32Å; R259-C263 WeakPolarHBondContact O-CB 3.3Å; R259-C263 PolarHBondContact O-N 3.12Å
260E96.7Very high96.3Very high74 Ų7449.8 Ų49.835%0.34626%0.263SS..Hα-helixtrans-60.9-38.4176.6-80.9166.2149.200111.8I256 S257 L262 G264 C265I256-E260 HydrophobicContact CB-CB 4.1Å; S257-E260 WeakPolarHBondContact CB-OE2 3.4Å; S257-E260 PolarHBondContact N-OE2 3.36Å; S257-E260 WeakPolarHBondContact O-CB 3.48Å; S257-E260 PolarHBondContact O-N 3.09Å; S257-E260 VanDerWaalsContact O-N 3.15Å; S257-E260 WeakPolarHBondContact OG-CB 3.27Å; S257-E260 VanDerWaalsContact OG-CD 3.31Å; S257-E260 VanDerWaalsContact OG-CG 3.3Å; S257-E260 WeakPolarHBondContact OG-CG 3.43Å; S257-E260 PolarHBondContact OG-N 3.04Å; S257-E260 PolarHBondContact OG-OE2 2.8Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.45Å; E260-G264 CarbonylContact O-C 3.51Å; E260-G264 VanDerWaalsContact O-CA 3.3Å; E260-G264 WeakPolarHBondContact O-CA 3.09Å; E260-G264 PolarHBondContact O-N 3.4Å; E260-C265 HydrophobicContact CB-CB 3.61Å; E260-C265 HydrophobicContact CG-CB 3.89Å
261A96.7Very high96.3Very high2 Ų250.1 Ų50.12%0.01727%0.265CS..Hα-helixtrans-65.6-33.6176.800000113.4I256 S257 L258 R259 I284 V285 V316I256-A261 HydrophobicContact CD1-CB 3.82Å; I256-A261 HydrophobicContact CG1-CB 4.45Å; S257-A261 WeakPolarHBondContact O-CB 3.36Å; S257-A261 PolarHBondContact O-N 2.95Å; L258-A261 PolarHBondContact O-N 3.4Å; R259-A261 VanDerWaalsContact C-N 3.28Å; R259-A261 PolarHBondContact O-N 3.46Å; A261-I284 CarbonylContact O-C 3.27Å; A261-I284 WeakPolarHBondContact O-CA 3.37Å; A261-V285 HydrophobicContact CB-CB 4.31Å; A261-V285 PolarHBondContact O-N 3.14Å; A261-V316 HydrophobicContact CB-CG1 3.8Å; A261-V316 HydrophobicContact CB-CG2 3.86Å
262L95.3Very high96.1Very high68 Ų6849.8 Ų49.836%0.35626%0.263SS..Hα-helixtrans-92.7-32.9-177.9-67.1175.7000114.1L258 R259 E260 I284 L334L258-L262 HydrophobicContact CD1-CD1 4.01Å; L258-L262 HydrophobicContact CD1-CG 4.2Å; L258-L262 HydrophobicContact CG-CD1 4.08Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3.44Å; L258-L262 VanDerWaalsContact O-N 3.1Å; R259-L262 PolarHBondContact O-N 3.34Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.45Å; L262-I284 HydrophobicContact CD2-CG2 4.27Å; L262-L334 HydrophobicContact CD1-CD2 4.13Å
263C94.5Very high95.9Very high102 Ų10249.6 Ų49.669%0.68927%0.266SS*.Hα-helixtrans-107.5-4.8-172.6-58.50000113.8R259R259-C263 VanDerWaalsContact O-CB 3.32Å; R259-C263 WeakPolarHBondContact O-CB 3.3Å; R259-C263 PolarHBondContact O-N 3.12Å
264G95Very high95.7Very high19 Ų1950.7 Ų50.720%0.19629%0.285CS..  trans97.9153.9-173.800000113.1E260 V281E260-G264 CarbonylContact O-C 3.51Å; E260-G264 VanDerWaalsContact O-CA 3.3Å; E260-G264 WeakPolarHBondContact O-CA 3.09Å; E260-G264 PolarHBondContact O-N 3.4Å; G264-V281 CarbonylContact C-O 3.6Å; G264-V281 WeakPolarHBondContact CA-O 3.32Å
265C94.8Very high95.6Very high8 Ų858.1 Ų58.15%0.05431%0.313CS..EExtended strand (participates in β ladder)trans-145.1152-175.177.20000111.7E260 S280 V281E260-C265 HydrophobicContact CB-CB 3.61Å; E260-C265 HydrophobicContact CG-CB 3.89Å; C265-S280 WeakPolarHBondContact O-CA 3.45Å; C265-V281 PolarHBondContact N-O 2.93Å; C265-V281 PolarHBondContact O-N 3.04Å
266S95.4Very high95.6Very high91 Ų9156.5 Ų56.564%0.63631%0.311SS*.EExtended strand (participates in β ladder)trans-117.9115.1168.9-66.70000108.8M279 S280S266-M279 CarbonylContact C-O 3.52Å; S266-M279 WeakPolarHBondContact CA-O 3.42Å; S266-S280 PolarHBondContact OG-OG 3.35Å
267I95.1Very high95.5Very high22 Ų2258 Ų5811%0.11332%0.319CS..EExtended strand (participates in β ladder)trans-114145.7-179.360166.6000110.6A254 I256 V269 M279 I312 F314A254-I267 HydrophobicContact CB-CD1 3.85Å; I256-I267 HydrophobicContact CG2-CG2 3.94Å; I267-V269 HydrophobicContact CD1-CG2 3.79Å; I267-V269 HydrophobicContact CG1-CG2 4Å; I267-M279 HydrophobicContact CG1-CB 4.12Å; I267-M279 PolarHBondContact N-O 3Å; I267-M279 PolarHBondContact O-N 3.21Å; I267-I312 HydrophobicContact CD1-CG2 4.06Å; I267-F314 HydrophobicContact CD1-CE1 3.69Å; I267-F314 HydrophobicContact CD1-CZ 3.93Å
268N96.2Very high95.5Very high110 Ų11060.8 Ų60.859%0.58834%0.336SS*.EExtended strand (participates in β ladder)trans-97.7108.8170.4-73.8-31.8000108.7P270 N276N268-P270 WeakPolarHBondContact O-CD 3.33Å; N268-N276 HydrophobicContact CB-CB 4.48Å
269V97.1Very high95.4Very high0 Ų060.7 Ų60.70%033%0.334CS..EExtended strand (participates in β ladder)trans-88.6115.4-174.8-175.60000109.2Y252 I267 N276 I277 M279 I293 L310 I312Y252-V269 HydrophobicContact CD1-CG1 4.01Å; Y252-V269 HydrophobicContact CE1-CG1 4.47Å; I267-V269 HydrophobicContact CD1-CG2 3.79Å; I267-V269 HydrophobicContact CG1-CG2 4Å; V269-N276 CarbonylContact O-C 3.54Å; V269-N276 WeakPolarHBondContact O-CA 3.15Å; V269-I277 PolarHBondContact N-O 2.9Å; V269-I277 PolarHBondContact O-N 2.8Å; V269-M279 HydrophobicContact CG2-CB 4.09Å; V269-I293 HydrophobicContact CB-CD1 4.44Å; V269-I293 HydrophobicContact CG1-CD1 4.26Å; V269-L310 HydrophobicContact CG1-CD2 3.62Å; V269-L310 HydrophobicContact CG1-CG 4.39Å; V269-I312 HydrophobicContact CB-CD1 4.32Å; V269-I312 HydrophobicContact CG1-CD1 3.86Å; V269-I312 HydrophobicContact CG1-CG1 3.85Å; V269-I312 HydrophobicContact CG2-CD1 3.59Å; V269-I312 HydrophobicContact CG2-CG1 4.25Å
270P97.3Very high95.4Very high10 Ų1055 Ų557%0.06533%0.325CS..EExtended strand (participates in β ladder)trans-71.6148176.330.9-33.6000110.8K242 F243 Y252 N268 R275K242-P270 HydrophobicContact CD-CB 4.48Å; K242-P270 HydrophobicContact CD-CG 4.13Å; F243-P270 HydrophobicContact CE1-CG 4.2Å; F243-P270 WeakPolarHBondContact CE1-O 3.35Å; F243-P270 HydrophobicContact CZ-CB 4.05Å; F243-P270 HydrophobicContact CZ-CG 3.96Å; F243-P270 VanDerWaalsContact CZ-O 3.27Å; F243-P270 WeakPolarHBondContact CZ-O 3.2Å; Y252-P270 HydrophobicContact CD2-CG 3.82Å; Y252-P270 HydrophobicContact CE1-CG 4.38Å; Y252-P270 HydrophobicContact CE2-CG 3.47Å; Y252-P270 VanDerWaalsContact CE2-CG 3.47Å; Y252-P270 HydrophobicContact CG-CG 4.43Å; Y252-P270 VanDerWaalsContact CZ-CD 3.43Å; N268-P270 WeakPolarHBondContact O-CD 3.33Å; P270-R275 WeakPolarHBondContact CA-O 3.4Å
271T96.5Very high95.3Very high6 Ų651.8 Ų51.84%0.03731%0.311CS..  trans-114.2160.9174.262.20000111.1D273 G274 R275 I277 Y296 L310T271-D273 WeakPolarHBondContact CB-OD1 3.42Å; T271-D273 PolarHBondContact O-N 3.37Å; T271-D273 PolarHBondContact OG1-OD1 3.37Å; T271-G274 PolarHBondContact O-N 2.99Å; T271-G274 VanDerWaalsContact O-N 3.08Å; T271-R275 PolarHBondContact N-O 3.41Å; T271-R275 WeakPolarHBondContact OG1-CB 3.36Å; T271-R275 PolarHBondContact OG1-N 3.44Å; T271-R275 VanDerWaalsContact OG1-N 3.08Å; T271-R275 PolarHBondContact OG1-O 3.29Å; T271-R275 VanDerWaalsContact OG1-O 3.1Å; T271-I277 HydrophobicContact CG2-CD1 3.59Å; T271-I277 HydrophobicContact CG2-CG1 3.87Å; T271-Y296 HydrophobicContact CG2-CD1 3.62Å; T271-Y296 HydrophobicContact CG2-CE1 4.1Å; T271-Y296 HydrophobicContact CG2-CG 4.47Å; T271-L310 HydrophobicContact CG2-CD2 4.35Å
272L95Very high95.2Very high12 Ų1258 Ų586%0.06334%0.344CS..THydrogen-bonded Turntrans-62.8-24.5178.3-80.2177.4000114.1L168 Y172 F243 I250 G274 L298L168-L272 HydrophobicContact CB-CD2 3.8Å; Y172-L272 HydrophobicContact CD2-CD1 4.48Å; Y172-L272 HydrophobicContact CG-CB 4.48Å; F243-L272 HydrophobicContact CD2-CD2 3.58Å; F243-L272 HydrophobicContact CD2-CG 4.32Å; F243-L272 HydrophobicContact CE2-CD2 3.89Å; F243-L272 HydrophobicContact CE2-CG 4.37Å; F243-L272 HydrophobicContact CG-CD2 4.44Å; I250-L272 HydrophobicContact CD1-CD1 3.75Å; I250-L272 HydrophobicContact CD1-CG 3.64Å; I250-L272 HydrophobicContact CG2-CD1 3.91Å; L272-G274 VanDerWaalsContact C-N 3.28Å; L272-L298 HydrophobicContact CD1-CD2 3.52Å; L272-L298 HydrophobicContact CD1-CG 4.22Å
273D93.1Very high95.1Very high44 Ų4459.5 Ų59.524%0.23535%0.352CS..THydrogen-bonded Turntrans-89.29.8176.969.2-36.6000113.2Y172 T271 R275Y172-D273 HydrophobicContact CE1-CB 3.97Å; T271-D273 WeakPolarHBondContact CB-OD1 3.42Å; T271-D273 PolarHBondContact O-N 3.37Å; T271-D273 PolarHBondContact OG1-OD1 3.37Å; D273-R275 IonicContact OD2-CZ 3.94Å; D273-R275 IonicContact OD2-NE 3.52Å; D273-R275 PolarHBondContact OD2-NE 2.99Å; D273-R275 IonicContact OD2-NH2 3.28Å; D273-R275 PolarHBondContact OD2-NH2 3.2Å
274G93.3Very high95.1Very high66 Ų6659.8 Ų59.868%0.6835%0.346SS*.SBendtrans86.26.3171.600000115.7T271 L272T271-G274 PolarHBondContact O-N 2.99Å; T271-G274 VanDerWaalsContact O-N 3.08Å; L272-G274 VanDerWaalsContact C-N 3.28Å
275R94.5Very high95.2Very high160 Ų16059.1 Ų59.160%0.60434%0.338SS*.  trans-84.1164.3173.9-53.5-177.9-149.5-175.43.8110.6P270 T271 D273P270-R275 WeakPolarHBondContact CA-O 3.4Å; T271-R275 PolarHBondContact N-O 3.41Å; T271-R275 WeakPolarHBondContact OG1-CB 3.36Å; T271-R275 PolarHBondContact OG1-N 3.44Å; T271-R275 VanDerWaalsContact OG1-N 3.08Å; T271-R275 PolarHBondContact OG1-O 3.29Å; T271-R275 VanDerWaalsContact OG1-O 3.1Å; D273-R275 IonicContact OD2-CZ 3.94Å; D273-R275 IonicContact OD2-NE 3.52Å; D273-R275 PolarHBondContact OD2-NE 2.99Å; D273-R275 IonicContact OD2-NH2 3.28Å; D273-R275 PolarHBondContact OD2-NH2 3.2Å
276N96.2Very high95.2Very high106 Ų10665.6 Ų65.657%0.56737%0.365SS*.EExtended strand (participates in β ladder)trans-119.9128.5169.3-67.6-38.8000109.1N268 V269N268-N276 HydrophobicContact CB-CB 4.48Å; V269-N276 CarbonylContact O-C 3.54Å; V269-N276 WeakPolarHBondContact O-CA 3.15Å
277I96.2Very high95.2Very high36 Ų3665.6 Ų65.619%0.18536%0.363CS..EExtended strand (participates in β ladder)trans-101.8115.3176.1-55.7172.3000107.7V269 T271 M279 I293 Y296V269-I277 PolarHBondContact N-O 2.9Å; V269-I277 PolarHBondContact O-N 2.8Å; T271-I277 HydrophobicContact CG2-CD1 3.59Å; T271-I277 HydrophobicContact CG2-CG1 3.87Å; I277-M279 PolarHBondContact O-N 3.5Å; I277-I293 HydrophobicContact CB-CD1 4.44Å; I277-I293 HydrophobicContact CD1-CD1 3.91Å; I277-I293 HydrophobicContact CD1-CG2 4.19Å; I277-I293 HydrophobicContact CG2-CD1 4.29Å; I277-Y296 HydrophobicContact CD1-CD1 3.73Å; I277-Y296 HydrophobicContact CD1-CD2 4.18Å; I277-Y296 HydrophobicContact CD1-CE1 3.48Å; I277-Y296 VanDerWaalsContact CD1-CE1 3.48Å; I277-Y296 HydrophobicContact CD1-CE2 3.95Å; I277-Y296 HydrophobicContact CD1-CG 4.06Å; I277-Y296 HydrophobicContact CG1-CE1 4.4Å
278P96.1Very high95.2Very high101 Ų10166.6 Ų66.666%0.65638%0.379SS*.EExtended strand (participates in β ladder)trans-68.4127.2172.528.2-32.4000109.5
279M93.9Very high95.2Very high37 Ų3763.9 Ų63.918%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-128121.6176.8175.5178.8-69.600109.5S266 I267 V269 I277 V281 R291 I293 I312S266-M279 CarbonylContact C-O 3.52Å; S266-M279 WeakPolarHBondContact CA-O 3.42Å; I267-M279 HydrophobicContact CG1-CB 4.12Å; I267-M279 PolarHBondContact N-O 3Å; I267-M279 PolarHBondContact O-N 3.21Å; V269-M279 HydrophobicContact CG2-CB 4.09Å; I277-M279 PolarHBondContact O-N 3.5Å; M279-V281 HydrophobicContact CG-CG2 4.02Å; M279-V281 HydrophobicContact SD-CG2 4.14Å; M279-R291 HydrophobicContact SD-CB 4.43Å; M279-I293 HydrophobicContact CE-CD1 3.66Å; M279-I293 HydrophobicContact CE-CG1 3.63Å; M279-I312 HydrophobicContact CE-CD1 3.32Å; M279-I312 HydrophobicContact SD-CD1 3.58Å; M279-I312 VanDerWaalsContact SD-CD1 3.58Å
280S94.9Very high95.1Very high80 Ų8070.1 Ų70.156%0.55939%0.387SS*.EExtended strand (participates in β ladder)trans-101.1128.8170.7-62.90000109.8C265 S266C265-S280 WeakPolarHBondContact O-CA 3.45Å; S266-S280 PolarHBondContact OG-OG 3.35Å
281V94.5Very high95.1Very high7 Ų774.1 Ų74.14%0.04240%0.4CS..EExtended strand (participates in β ladder)trans-118.6111.8176.2-174.30000107.2G264 C265 M279 V285 F314G264-V281 CarbonylContact C-O 3.6Å; G264-V281 WeakPolarHBondContact CA-O 3.32Å; C265-V281 PolarHBondContact N-O 2.93Å; C265-V281 PolarHBondContact O-N 3.04Å; M279-V281 HydrophobicContact CG-CG2 4.02Å; M279-V281 HydrophobicContact SD-CG2 4.14Å; V281-V285 HydrophobicContact CB-CG2 4.4Å; V281-V285 HydrophobicContact CG1-CG2 3.56Å; V281-F314 HydrophobicContact CG2-CZ 3.99Å
282N94.2Very high95.1Very high132 Ų13281.6 Ų81.671%0.70643%0.428SS*.  trans-98.9-17.1-177.8-60.5-33000112.7
283D93.7Very high95.2Very high101 Ų10182.1 Ų82.154%0.5443%0.431SS..SBendtrans-78.2161.5175.7-53-42.3000111.2V285 R291D283-V285 PolarHBondContact O-N 3.44Å; D283-R291 IonicContact OD2-NH2 3.29Å; D283-R291 PolarHBondContact OD2-NH2 3.11Å
284I94.8Very high95.3Very high107 Ų10786 Ų8655%0.54945%0.45SS..PPolyproline II helixtrans-62.2124.7172.6-61.8172.3000110.2A261 L262A261-I284 CarbonylContact O-C 3.27Å; A261-I284 WeakPolarHBondContact O-CA 3.37Å; L262-I284 HydrophobicContact CD2-CG2 4.27Å
285V96.1Very high95.5Very high5 Ų584.1 Ų84.13%0.0343%0.431CS..PPolyproline II helixtrans-96122.8176.1-178.40000109.8I256 A261 V281 D283 M289 F314I256-V285 HydrophobicContact CD1-CB 3.89Å; I256-V285 HydrophobicContact CD1-CG1 3.77Å; I256-V285 HydrophobicContact CD1-CG2 4.25Å; A261-V285 HydrophobicContact CB-CB 4.31Å; A261-V285 PolarHBondContact O-N 3.14Å; V281-V285 HydrophobicContact CB-CG2 4.4Å; V281-V285 HydrophobicContact CG1-CG2 3.56Å; D283-V285 PolarHBondContact O-N 3.44Å; V285-M289 HydrophobicContact CG1-CB 4.26Å; V285-M289 HydrophobicContact CG1-SD 4.31Å; V285-F314 HydrophobicContact CG1-CB 3.44Å; V285-F314 VanDerWaalsContact CG1-CB 3.44Å; V285-F314 HydrophobicContact CG1-CD1 3.96Å; V285-F314 HydrophobicContact CG1-CD2 3.9Å; V285-F314 HydrophobicContact CG1-CG 3.5Å; V285-F314 VanDerWaalsContact CG1-CG 3.5Å
286K95Very high95.6Very high145 Ų14580 Ų8063%0.6342%0.416SS*.PPolyproline II helixtrans-87.3148.3173.4-62.2-178.1-178.6-179.10110.2G288 M289K286-G288 PolarHBondContact O-N 3.49Å; K286-M289 HydrophobicContact CB-CB 4.42Å; K286-M289 HydrophobicContact CB-CE 4.13Å; K286-M289 HydrophobicContact CG-CE 4.07Å; K286-M289 WeakPolarHBondContact O-CB 3.44Å; K286-M289 PolarHBondContact O-N 3.34Å
287P95.4Very high95.6Very high90 Ų9075 Ų7558%0.58439%0.389SS*.THydrogen-bonded Turntrans-53.3131.2169.6-22.932000111.3M289 V316P287-M289 PolarHBondContact O-N 2.91Å; P287-V316 HydrophobicContact CB-CG2 4.4Å; P287-V316 HydrophobicContact CG-CB 4.11Å; P287-V316 HydrophobicContact CG-CG2 4.03Å
288G94.9Very high95.7Very high44 Ų4473.2 Ų73.245%0.45438%0.38SS..THydrogen-bonded Turntrans76.50.3-177.200000114.9K286 R290 F314K286-G288 PolarHBondContact O-N 3.49Å; G288-R290 PolarHBondContact O-N 2.96Å; G288-F314 PolarHBondContact N-O 3.28Å
289M96.1Very high95.8Very high53 Ų5368.7 Ų68.726%0.26135%0.35SS..  trans-58140.4171-177.5178.8-74.900109.4V285 K286 P287 F314V285-M289 HydrophobicContact CG1-CB 4.26Å; V285-M289 HydrophobicContact CG1-SD 4.31Å; K286-M289 HydrophobicContact CB-CB 4.42Å; K286-M289 HydrophobicContact CB-CE 4.13Å; K286-M289 HydrophobicContact CG-CE 4.07Å; K286-M289 WeakPolarHBondContact O-CB 3.44Å; K286-M289 PolarHBondContact O-N 3.34Å; P287-M289 PolarHBondContact O-N 2.91Å; M289-F314 WeakPolarHBondContact O-CD2 3.45Å; M289-F314 PolarHBondContact O-N 3.44Å
290R96.3Very high95.9Very high130 Ų13070.4 Ų70.449%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-115.6135.8177.2-64.6-177.6180-177.4-0.6111.3G288 I312 E313G288-R290 PolarHBondContact O-N 2.96Å; R290-I312 CarbonylContact C-O 3.58Å; R290-I312 WeakPolarHBondContact CA-O 3.34Å; R290-E313 HydrophobicContact CG-CB 4.17Å; R290-E313 HydrophobicContact CG-CG 4.26Å; R290-E313 IonicContact CZ-OE1 2.63Å; R290-E313 VanDerWaalsContact CZ-OE1 3.29Å; R290-E313 IonicContact NE-OE1 3.24Å; R290-E313 PolarHBondContact NE-OE1 3.44Å; R290-E313 IonicContact NH2-OE1 2.71Å; R290-E313 PolarHBondContact NH2-OE1 2.91Å
291R95.9Very high95.8Very high94 Ų9469 Ų6936%0.35535%0.346SS..EExtended strand (participates in β ladder)trans-113.2151.1166.1-67.3-72.5-173.8161.74.7108.9M279 D283 L311 I312 F314M279-R291 HydrophobicContact SD-CB 4.43Å; D283-R291 IonicContact OD2-NH2 3.29Å; D283-R291 PolarHBondContact OD2-NH2 3.11Å; R291-L311 CarbonylContact O-C 3.56Å; R291-I312 PolarHBondContact N-O 3.49Å; R291-I312 PolarHBondContact O-N 3.13Å; R291-F314 HydrophobicContact CB-CE2 4.02Å; R291-F314 HydrophobicContact CG-CE2 3.62Å; R291-F314 HydrophobicContact CG-CZ 4.33Å
292R97.1Very high95.7Very high164 Ų16478.6 Ų78.662%0.61939%0.387SS*.EExtended strand (participates in β ladder)trans-120130.7-174176.6173.560.5174.7-3.7110.4I294 D309 L311R292-I294 HydrophobicContact CG-CG1 4.49Å; R292-D309 VanDerWaalsContact CD-OD2 3.28Å; R292-D309 WeakPolarHBondContact CD-OD2 3.4Å; R292-D309 HydrophobicContact CG-CB 3.86Å; R292-D309 IonicContact NH1-OD2 3.53Å; R292-L311 HydrophobicContact CB-CD2 4.07Å; R292-L311 HydrophobicContact CG-CD2 3.95Å
293I96.5Very high95.7Very high23 Ų2375 Ų7512%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-109.3115.9166.1-46-175.5000108.2V269 I277 M279 Y296 L310 I312V269-I293 HydrophobicContact CB-CD1 4.44Å; V269-I293 HydrophobicContact CG1-CD1 4.26Å; I277-I293 HydrophobicContact CB-CD1 4.44Å; I277-I293 HydrophobicContact CD1-CD1 3.91Å; I277-I293 HydrophobicContact CD1-CG2 4.19Å; I277-I293 HydrophobicContact CG2-CD1 4.29Å; M279-I293 HydrophobicContact CE-CD1 3.66Å; M279-I293 HydrophobicContact CE-CG1 3.63Å; I293-Y296 HydrophobicContact CB-CD2 4.17Å; I293-Y296 HydrophobicContact CG2-CD2 3.29Å; I293-Y296 HydrophobicContact CG2-CE2 3.58Å; I293-Y296 HydrophobicContact CG2-CG 4.15Å; I293-L310 HydrophobicContact CB-CB 4.36Å; I293-L310 HydrophobicContact CD1-CD2 4.32Å; I293-L310 PolarHBondContact N-O 3.46Å; I293-L310 PolarHBondContact O-N 3.1Å; I293-I312 HydrophobicContact CD1-CD1 3.8Å; I293-I312 HydrophobicContact CG1-CD1 3.87Å
294I97Very high95.6Very high125 Ų12573 Ų7364%0.64136%0.36SS*.THydrogen-bonded Turntrans-70.9134.5-172.1-60.4171.2000110.8R292 Y296 D309R292-I294 HydrophobicContact CG-CG1 4.49Å; I294-Y296 WeakPolarHBondContact O-CD2 3.5Å; I294-Y296 PolarHBondContact O-N 2.77Å; I294-D309 VanDerWaalsContact CA-OD1 3.25Å; I294-D309 WeakPolarHBondContact CA-OD1 3.37Å
295G96.2Very high95.5Very high26 Ų2675 Ų7527%0.26837%0.372SS..THydrogen-bonded Turntrans78.312.1171.400000115.7R307 G308 D309G295-R307 WeakPolarHBondContact O-CD 3.19Å; G295-R307 VanDerWaalsContact O-CZ 3.3Å; G295-R307 PolarHBondContact O-NE 3.17Å; G295-R307 PolarHBondContact O-NH1 3.25Å; G295-G308 CarbonylContact C-O 3.58Å; G295-G308 VanDerWaalsContact C-O 3.28Å; G295-G308 WeakPolarHBondContact CA-O 3.35Å; G295-G308 PolarHBondContact N-O 2.83Å; G295-D309 PolarHBondContact N-OD1 3.28Å
296Y96.8Very high95.5Very high74 Ų7480.1 Ų80.129%0.2940%0.396SS..  trans-103.47.7178-74.5-90.1000114.3I250 T271 I277 I293 I294 R307 G308I250-Y296 VanDerWaalsContact CD1-O 3.28Å; I250-Y296 WeakPolarHBondContact CD1-O 3.27Å; T271-Y296 HydrophobicContact CG2-CD1 3.62Å; T271-Y296 HydrophobicContact CG2-CE1 4.1Å; T271-Y296 HydrophobicContact CG2-CG 4.47Å; I277-Y296 HydrophobicContact CD1-CD1 3.73Å; I277-Y296 HydrophobicContact CD1-CD2 4.18Å; I277-Y296 HydrophobicContact CD1-CE1 3.48Å; I277-Y296 VanDerWaalsContact CD1-CE1 3.48Å; I277-Y296 HydrophobicContact CD1-CE2 3.95Å; I277-Y296 HydrophobicContact CD1-CG 4.06Å; I277-Y296 HydrophobicContact CG1-CE1 4.4Å; I293-Y296 HydrophobicContact CB-CD2 4.17Å; I293-Y296 HydrophobicContact CG2-CD2 3.29Å; I293-Y296 HydrophobicContact CG2-CE2 3.58Å; I293-Y296 HydrophobicContact CG2-CG 4.15Å; I294-Y296 WeakPolarHBondContact O-CD2 3.5Å; I294-Y296 PolarHBondContact O-N 2.77Å; Y296-R307 PolarHBondContact O-NH2 2.98Å; Y296-G308 PolarHBondContact N-O 2.86Å
297G97.4Very high95.6Very high0 Ų076 Ų760%038%0.376CS..SBendtrans-81.9-157.8174.300000114.2R307 G308G297-R307 VanDerWaalsContact O-CZ 3.3Å; G297-R307 PolarHBondContact O-NE 2.92Å; G297-R307 PolarHBondContact O-NH2 3.25Å; G297-G308 WeakPolarHBondContact CA-O 3.33Å; G297-G308 PolarHBondContact N-O 2.68Å
298L97.6Very high95.6Very high0 Ų071.8 Ų71.80%035%0.349CS..PPolyproline II helixtrans-80.7152.6175.5-67.6170.9000111.1L168 I171 R245 S248 I250 L272 R307 G308L168-L298 HydrophobicContact CD2-CD1 4.44Å; I171-L298 HydrophobicContact CB-CD2 4.46Å; I171-L298 HydrophobicContact CG2-CD1 4.21Å; I171-L298 HydrophobicContact CG2-CD2 4.14Å; R245-L298 HydrophobicContact CG-CD1 3.9Å; S248-L298 PolarHBondContact O-N 3.11Å; I250-L298 HydrophobicContact CG2-CD1 4.37Å; I250-L298 HydrophobicContact CG2-CG 3.92Å; L272-L298 HydrophobicContact CD1-CD2 3.52Å; L272-L298 HydrophobicContact CD1-CG 4.22Å; L298-R307 WeakPolarHBondContact O-CA 3.44Å; L298-G308 PolarHBondContact O-N 3.12Å
299P97.8Very high95.8Very high5 Ų571 Ų713%0.03233%0.334CS..EExtended strand (participates in β ladder)trans-58.4151.5171.8-24.535.7000112.3Y172 K206 G207 P304 Q306Y172-P299 HydrophobicContact CD2-CG 4.3Å; K206-P299 HydrophobicContact CB-CB 4.23Å; K206-P299 HydrophobicContact CB-CG 4.23Å; G207-P299 WeakPolarHBondContact CA-O 3.46Å; P299-P304 HydrophobicContact CB-CB 4.42Å; P299-Q306 WeakPolarHBondContact CA-O 2.95Å
300F96Very high95.9Very high73 Ų7368.4 Ų68.432%0.3232%0.322SS..EExtended strand (participates in β ladder)trans-79.5132.9169.2-64.7-69.4000110.5S248 K302 N303 P304 Q306 R307S248-F300 VanDerWaalsContact CB-CE1 3.49Å; S248-F300 WeakPolarHBondContact OG-CD1 3.3Å; F300-K302 PolarHBondContact O-N 2.88Å; F300-K302 VanDerWaalsContact O-N 3.12Å; F300-N303 CarbonylContact O-C 3.58Å; F300-N303 PolarHBondContact O-N 3.05Å; F300-N303 VanDerWaalsContact O-N 3.07Å; F300-P304 WeakPolarHBondContact O-CA 3.29Å; F300-P304 VanDerWaalsContact O-N 3.17Å; F300-Q306 HydrophobicContact CD2-CB 3.6Å; F300-Q306 WeakPolarHBondContact CD2-O 3.25Å; F300-Q306 HydrophobicContact CE2-CB 4.04Å; F300-Q306 PolarHBondContact N-O 2.8Å; F300-R307 VanDerWaalsContact CE2-C 3.42Å; F300-R307 WeakPolarHBondContact CE2-O 3.21Å
301P92.7Very high96Very high50 Ų5063.4 Ų63.433%0.32530%0.304SS..THydrogen-bonded Turntrans-58.5-31.8-176.2-10.37.2000114.9G207 K209G207-P301 WeakPolarHBondContact O-CD 3.35Å; G207-P301 VanDerWaalsContact O-CG 3.27Å; G207-P301 WeakPolarHBondContact O-CG 3.46Å; K209-P301 HydrophobicContact CG-CG 4.08Å
302K91.9Very high96Very high209 Ų20958.9 Ų58.991%0.90929%0.288SS*.THydrogen-bonded Turntrans-87.2-24.4179.4-65.2-173179.2-178.70113F300F300-K302 PolarHBondContact O-N 2.88Å; F300-K302 VanDerWaalsContact O-N 3.12Å
303N94Very high96.1Very high58 Ų5853.5 Ų53.531%0.3127%0.269SS..EExtended strand (participates in β ladder)trans-14080-178.1-171.3-6000108.7F300 D305 Q306F300-N303 CarbonylContact O-C 3.58Å; F300-N303 PolarHBondContact O-N 3.05Å; F300-N303 VanDerWaalsContact O-N 3.07Å; N303-D305 PolarHBondContact O-N 2.91Å; N303-D305 VanDerWaalsContact O-N 3.14Å; N303-Q306 VanDerWaalsContact ND2-CD 3.26Å; N303-Q306 PolarHBondContact ND2-NE2 3.26Å; N303-Q306 VanDerWaalsContact ND2-NE2 3.14Å; N303-Q306 PolarHBondContact O-N 3.17Å; N303-Q306 VanDerWaalsContact O-N 3.09Å
304P92Very high96.1Very high57 Ų5752.5 Ų52.537%0.3726%0.264SS..EExtended strand (participates in β ladder)trans-68.6-11-170.928.2-35.6000113.8K206 P299 F300 Q306K206-P304 HydrophobicContact CB-CB 4.22Å; P299-P304 HydrophobicContact CB-CB 4.42Å; F300-P304 WeakPolarHBondContact O-CA 3.29Å; F300-P304 VanDerWaalsContact O-N 3.17Å; P304-Q306 VanDerWaalsContact C-N 3.33Å
305D92.8Very high96.1Very high149 Ų14950.5 Ų50.580%0.79725%0.252SS*.EExtended strand (participates in β ladder)trans-79-21.1174.9-59.5-38.7000112.1N303N303-D305 PolarHBondContact O-N 2.91Å; N303-D305 VanDerWaalsContact O-N 3.14Å
306Q95.9Very high96.2Very high114 Ų11450.1 Ų50.153%0.53325%0.245SC..EExtended strand (participates in β ladder)trans-97.1147.7172.3-67.8-177.714.600110.5P299 F300 N303 P304P299-Q306 WeakPolarHBondContact CA-O 2.95Å; F300-Q306 HydrophobicContact CD2-CB 3.6Å; F300-Q306 WeakPolarHBondContact CD2-O 3.25Å; F300-Q306 HydrophobicContact CE2-CB 4.04Å; F300-Q306 PolarHBondContact N-O 2.8Å; N303-Q306 VanDerWaalsContact ND2-CD 3.26Å; N303-Q306 PolarHBondContact ND2-NE2 3.26Å; N303-Q306 VanDerWaalsContact ND2-NE2 3.14Å; N303-Q306 PolarHBondContact O-N 3.17Å; N303-Q306 VanDerWaalsContact O-N 3.09Å; P304-Q306 VanDerWaalsContact C-N 3.33Å
307R96.8Very high96.2Very high57 Ų5749.2 Ų49.222%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-127.3149.9-176.9-64.3174.263.1-175.72.3110.5Y172 G295 Y296 G297 L298 F300Y172-R307 VanDerWaalsContact CE2-CZ 3.42Å; Y172-R307 PolarHBondContact OH-NH1 3.17Å; G295-R307 WeakPolarHBondContact O-CD 3.19Å; G295-R307 VanDerWaalsContact O-CZ 3.3Å; G295-R307 PolarHBondContact O-NE 3.17Å; G295-R307 PolarHBondContact O-NH1 3.25Å; Y296-R307 PolarHBondContact O-NH2 2.98Å; G297-R307 VanDerWaalsContact O-CZ 3.3Å; G297-R307 PolarHBondContact O-NE 2.92Å; G297-R307 PolarHBondContact O-NH2 3.25Å; L298-R307 WeakPolarHBondContact O-CA 3.44Å; F300-R307 VanDerWaalsContact CE2-C 3.42Å; F300-R307 WeakPolarHBondContact CE2-O 3.21Å
308G97.2Very high96.1Very high2 Ų255.4 Ų55.42%0.02128%0.276CS..  trans-68.5-166.1162.900000111.5G295 Y296 G297 L298G295-G308 CarbonylContact C-O 3.58Å; G295-G308 VanDerWaalsContact C-O 3.28Å; G295-G308 WeakPolarHBondContact CA-O 3.35Å; G295-G308 PolarHBondContact N-O 2.83Å; Y296-G308 PolarHBondContact N-O 2.86Å; G297-G308 WeakPolarHBondContact CA-O 3.33Å; G297-G308 PolarHBondContact N-O 2.68Å; L298-G308 PolarHBondContact O-N 3.12Å
309D98Very high95.9Very high27 Ų2758.6 Ų58.614%0.14430%0.297CS..  trans-111158.3-170.8-57.8-33.6000112.4N249 I250 R292 I294 G295 L311N249-D309 CarbonylContact C-O 3.6Å; N249-D309 WeakPolarHBondContact CA-O 3.44Å; N249-D309 WeakPolarHBondContact CB-O 3.46Å; N249-D309 PolarHBondContact OD1-N 3.1Å; I250-D309 PolarHBondContact N-O 3.19Å; R292-D309 VanDerWaalsContact CD-OD2 3.28Å; R292-D309 WeakPolarHBondContact CD-OD2 3.4Å; R292-D309 HydrophobicContact CG-CB 3.86Å; R292-D309 IonicContact NH1-OD2 3.53Å; I294-D309 VanDerWaalsContact CA-OD1 3.25Å; I294-D309 WeakPolarHBondContact CA-OD1 3.37Å; G295-D309 PolarHBondContact N-OD1 3.28Å; D309-L311 HydrophobicContact CB-CD2 4.46Å
310L98.2Very high95.8Very high0 Ų066.4 Ų66.40%034%0.338CS..EExtended strand (participates in β ladder)trans-95.3115.5167.8170.857.7000108.7F243 I250 V269 T271 I293F243-L310 HydrophobicContact CE1-CD1 4.28Å; I250-L310 HydrophobicContact CD1-CB 4.42Å; I250-L310 HydrophobicContact CD1-CD1 3.88Å; I250-L310 HydrophobicContact CG1-CB 4.14Å; I250-L310 HydrophobicContact CG1-CD1 3.61Å; I250-L310 HydrophobicContact CG1-CG 4.44Å; I250-L310 WeakPolarHBondContact O-CA 3.4Å; V269-L310 HydrophobicContact CG1-CD2 3.62Å; V269-L310 HydrophobicContact CG1-CG 4.39Å; T271-L310 HydrophobicContact CG2-CD2 4.35Å; I293-L310 HydrophobicContact CB-CB 4.36Å; I293-L310 HydrophobicContact CD1-CD2 4.32Å; I293-L310 PolarHBondContact N-O 3.46Å; I293-L310 PolarHBondContact O-N 3.1Å
311L97.9Very high95.8Very high24 Ų2468.9 Ų68.913%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-97.5117.3177.8-54.5-179.5000108.7N249 I250 I251 Y252 R291 R292 D309N249-L311 HydrophobicContact CB-CD1 4.16Å; N249-L311 HydrophobicContact CB-CG 4.31Å; I250-L311 PolarHBondContact O-N 2.67Å; I251-L311 CarbonylContact C-O 3.57Å; I251-L311 VanDerWaalsContact CA-O 3.27Å; I251-L311 WeakPolarHBondContact CA-O 3.48Å; I251-L311 HydrophobicContact CG1-CB 4.22Å; I251-L311 HydrophobicContact CG1-CD1 4.28Å; Y252-L311 PolarHBondContact N-O 2.92Å; R291-L311 CarbonylContact O-C 3.56Å; R292-L311 HydrophobicContact CB-CD2 4.07Å; R292-L311 HydrophobicContact CG-CD2 3.95Å; D309-L311 HydrophobicContact CB-CD2 4.46Å
312I97.4Very high95.8Very high0 Ų069.4 Ų69.40%036%0.359CS..EExtended strand (participates in β ladder)trans-95.7111.6176.6-58.6154.8000107.5Y252 A254 I267 V269 M279 R290 R291 I293 F314Y252-I312 HydrophobicContact CD1-CG2 4.33Å; Y252-I312 CarbonylContact O-C 3.44Å; Y252-I312 WeakPolarHBondContact O-CA 3.3Å; A254-I312 HydrophobicContact CB-CG2 3.71Å; I267-I312 HydrophobicContact CD1-CG2 4.06Å; V269-I312 HydrophobicContact CB-CD1 4.32Å; V269-I312 HydrophobicContact CG1-CD1 3.86Å; V269-I312 HydrophobicContact CG1-CG1 3.85Å; V269-I312 HydrophobicContact CG2-CD1 3.59Å; V269-I312 HydrophobicContact CG2-CG1 4.25Å; M279-I312 HydrophobicContact CE-CD1 3.32Å; M279-I312 HydrophobicContact SD-CD1 3.58Å; M279-I312 VanDerWaalsContact SD-CD1 3.58Å; R290-I312 CarbonylContact C-O 3.58Å; R290-I312 WeakPolarHBondContact CA-O 3.34Å; R291-I312 PolarHBondContact N-O 3.49Å; R291-I312 PolarHBondContact O-N 3.13Å; I293-I312 HydrophobicContact CD1-CD1 3.8Å; I293-I312 HydrophobicContact CG1-CD1 3.87Å; I312-F314 HydrophobicContact CB-CE2 4.46Å; I312-F314 HydrophobicContact CG2-CD2 4.41Å; I312-F314 HydrophobicContact CG2-CE1 4.3Å; I312-F314 HydrophobicContact CG2-CE2 3.89Å; I312-F314 HydrophobicContact CG2-CZ 3.84Å
313E97.7Very high96Very high51 Ų5162.2 Ų62.224%0.23834%0.335CS..EExtended strand (participates in β ladder)trans-97.5124.6175.8-177167.2-115.700109.5I251 Y252 T253 A254 R290I251-E313 HydrophobicContact CG2-CB 4.11Å; Y252-E313 PolarHBondContact O-N 3.24Å; T253-E313 CarbonylContact C-O 3.56Å; T253-E313 WeakPolarHBondContact CA-O 3.1Å; A254-E313 PolarHBondContact N-O 3.17Å; R290-E313 HydrophobicContact CG-CB 4.17Å; R290-E313 HydrophobicContact CG-CG 4.26Å; R290-E313 IonicContact CZ-OE1 2.63Å; R290-E313 VanDerWaalsContact CZ-OE1 3.29Å; R290-E313 IonicContact NE-OE1 3.24Å; R290-E313 PolarHBondContact NE-OE1 3.44Å; R290-E313 IonicContact NH2-OE1 2.71Å; R290-E313 PolarHBondContact NH2-OE1 2.91Å
314F97.4Very high96.1Very high1 Ų164.3 Ų64.30%0.00435%0.354CS..EExtended strand (participates in β ladder)trans-90.4121-177.2-69.1-87.6000111.6A254 I256 I267 V281 V285 G288 M289 R291 I312A254-F314 HydrophobicContact CB-CD1 4.12Å; A254-F314 HydrophobicContact CB-CE1 4.24Å; A254-F314 WeakPolarHBondContact O-CA 3.41Å; I256-F314 HydrophobicContact CD1-CB 4.46Å; I256-F314 HydrophobicContact CD1-CD1 3.78Å; I256-F314 HydrophobicContact CD1-CE1 4.5Å; I256-F314 HydrophobicContact CD1-CG 4.46Å; I256-F314 HydrophobicContact CG1-CD1 4.24Å; I256-F314 HydrophobicContact CG2-CD1 4.14Å; I256-F314 HydrophobicContact CG2-CE1 4.44Å; I267-F314 HydrophobicContact CD1-CE1 3.69Å; I267-F314 HydrophobicContact CD1-CZ 3.93Å; V281-F314 HydrophobicContact CG2-CZ 3.99Å; V285-F314 HydrophobicContact CG1-CB 3.44Å; V285-F314 VanDerWaalsContact CG1-CB 3.44Å; V285-F314 HydrophobicContact CG1-CD1 3.96Å; V285-F314 HydrophobicContact CG1-CD2 3.9Å; V285-F314 HydrophobicContact CG1-CG 3.5Å; V285-F314 VanDerWaalsContact CG1-CG 3.5Å; G288-F314 PolarHBondContact N-O 3.28Å; M289-F314 WeakPolarHBondContact O-CD2 3.45Å; M289-F314 PolarHBondContact O-N 3.44Å; R291-F314 HydrophobicContact CB-CE2 4.02Å; R291-F314 HydrophobicContact CG-CE2 3.62Å; R291-F314 HydrophobicContact CG-CZ 4.33Å; I312-F314 HydrophobicContact CB-CE2 4.46Å; I312-F314 HydrophobicContact CG2-CD2 4.41Å; I312-F314 HydrophobicContact CG2-CE1 4.3Å; I312-F314 HydrophobicContact CG2-CE2 3.89Å; I312-F314 HydrophobicContact CG2-CZ 3.84Å
315E97.2Very high96.3Very high83 Ų8365.4 Ų65.439%0.38836%0.363SS..EExtended strand (participates in β ladder)trans-102.7110.7171.2-174.8-173.8145.300108.4T253 A254 K255 I256T253-E315 HydrophobicContact CG2-CB 3.87Å; T253-E315 WeakPolarHBondContact CG2-OE2 3.5Å; A254-E315 PolarHBondContact O-N 3.41Å; K255-E315 WeakPolarHBondContact CA-O 3.46Å; K255-E315 WeakPolarHBondContact CE-OE1 3.21Å; K255-E315 VanDerWaalsContact CE-OE2 3.28Å; K255-E315 WeakPolarHBondContact CE-OE2 3.27Å; K255-E315 HydrophobicContact CG-CB 4.27Å; K255-E315 IonicContact NZ-OE1 3.33Å; K255-E315 PolarHBondContact NZ-OE1 3.02Å; K255-E315 IonicContact NZ-OE2 3.9Å; I256-E315 PolarHBondContact N-O 3.27Å
316V97.1Very high96.3Very high19 Ų1960.8 Ų60.812%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-87.8115.6-178-176.20000109.7I256 L258 A261 P287 F318I256-V316 HydrophobicContact CD1-CG2 4.34Å; I256-V316 HydrophobicContact CG1-CG2 4.21Å; I256-V316 CarbonylContact O-C 3.28Å; I256-V316 WeakPolarHBondContact O-CA 3.47Å; L258-V316 HydrophobicContact CB-CG1 4.37Å; L258-V316 HydrophobicContact CD1-CG1 4.26Å; A261-V316 HydrophobicContact CB-CG1 3.8Å; A261-V316 HydrophobicContact CB-CG2 3.86Å; P287-V316 HydrophobicContact CB-CG2 4.4Å; P287-V316 HydrophobicContact CG-CB 4.11Å; P287-V316 HydrophobicContact CG-CG2 4.03Å; V316-F318 HydrophobicContact CG1-CD2 4.36Å; V316-F318 HydrophobicContact CG1-CE2 4.06Å
317S96.5Very high96.2Very high54 Ų5460.9 Ų60.938%0.37834%0.341SS..EExtended strand (participates in β ladder)trans-87.6116.3176.4-59.50000110.3I256 L258I256-S317 PolarHBondContact O-N 3.5Å; L258-S317 PolarHBondContact N-O 3.16Å
318F95.6Very high96.1Very high131 Ų13163.4 Ų63.458%0.57536%0.355SS*.PPolyproline II helixtrans-82.5143.7172.9-77.6-108.5000109.9L258 V316L258-F318 HydrophobicContact CD1-CD1 4.35Å; L258-F318 HydrophobicContact CD1-CE1 3.75Å; L258-F318 HydrophobicContact CD1-CE2 4.33Å; L258-F318 HydrophobicContact CD1-CZ 3.73Å; L258-F318 HydrophobicContact CD2-CD1 3.74Å; L258-F318 HydrophobicContact CD2-CE1 3.71Å; L258-F318 HydrophobicContact CG-CD1 4.47Å; L258-F318 HydrophobicContact CG-CE1 4.28Å; V316-F318 HydrophobicContact CG1-CD2 4.36Å; V316-F318 HydrophobicContact CG1-CE2 4.06Å
319P94.6Very high96Very high67 Ų6767.4 Ų67.444%0.43538%0.38SS..PPolyproline II helixtrans-69.1139.7171.830.4-34.8000110.5T321 I322P319-T321 VanDerWaalsContact C-N 3.28Å; P319-T321 PolarHBondContact O-N 3.32Å; P319-I322 HydrophobicContact CB-CG1 4.3Å; P319-I322 HydrophobicContact CG-CD1 3.71Å; P319-I322 HydrophobicContact CG-CG1 3.67Å
320D95.6Very high95.8Very high168 Ų16869.4 Ų69.490%0.89839%0.39SS*.SBendtrans-64.1-33.9179-62.4-42.5000112.5
321T94.8Very high95.5Very high126 Ų12677.8 Ų77.877%0.77342%0.422SS*.  trans-142.8153.3177.961.50000111.4P319P319-T321 VanDerWaalsContact C-N 3.28Å; P319-T321 PolarHBondContact O-N 3.32Å
322I93.1Very high95.3Very high60 Ų6084.8 Ų84.831%0.30845%0.451SS..  trans-137137.5175.6-59.6173.1000107.6P319 K327 L330P319-I322 HydrophobicContact CB-CG1 4.3Å; P319-I322 HydrophobicContact CG-CD1 3.71Å; P319-I322 HydrophobicContact CG-CG1 3.67Å; I322-K327 HydrophobicContact CB-CG 4.29Å; I322-K327 HydrophobicContact CG2-CG 4.03Å; I322-K327 WeakPolarHBondContact O-CE 3.17Å; I322-L330 HydrophobicContact CD1-CD1 4.02Å; I322-L330 HydrophobicContact CG2-CD1 4.38Å
323S96Very high95.1Very high59 Ų5991.3 Ų91.341%0.41348%0.481SS..  trans-62.1155.4177.968.50000112.1S325 S326 K327S323-S325 VanDerWaalsContact C-N 3.3Å; S323-S325 PolarHBondContact O-N 3.18Å; S323-S325 PolarHBondContact OG-OG 3.22Å; S323-S326 PolarHBondContact O-N 2.81Å; S323-S326 WeakPolarHBondContact OG-CB 3.31Å; S323-S326 PolarHBondContact OG-N 2.63Å; S323-S326 PolarHBondContact OG-OG 2.71Å; S323-S326 VanDerWaalsContact OG-OG 3.09Å; S323-K327 WeakPolarHBondContact O-CG 3.24Å; S323-K327 PolarHBondContact O-N 3.05Å
324S95.6Very high94.8Very high102 Ų10293 Ų9371%0.71349%0.491SS*.Hα-helixtrans-58.9-40.3177.749.50000112.6K327 E328S324-K327 PolarHBondContact O-N 2.77Å; S324-E328 PolarHBondContact O-N 3.49Å; S324-E328 VanDerWaalsContact O-N 3.12Å
325S96.1Very high94.4Very high79 Ų7998.5 Ų98.555%0.55253%0.527SS*.Hα-helixtrans-62.6-44.2176.2550000112.3S323 E328 V329S323-S325 VanDerWaalsContact C-N 3.3Å; S323-S325 PolarHBondContact O-N 3.18Å; S323-S325 PolarHBondContact OG-OG 3.22Å; S325-E328 PolarHBondContact O-N 3.46Å; S325-V329 WeakPolarHBondContact O-CG2 3.35Å; S325-V329 PolarHBondContact O-N 2.84Å
326S94.1Very high93.6Very high53 Ų5399.5 Ų99.537%0.37155%0.55SS..Hα-helixtrans-66.5-36176.1-67.50000112.3S323 E328 V329 L330S323-S326 PolarHBondContact O-N 2.81Å; S323-S326 WeakPolarHBondContact OG-CB 3.31Å; S323-S326 PolarHBondContact OG-N 2.63Å; S323-S326 PolarHBondContact OG-OG 2.71Å; S323-S326 VanDerWaalsContact OG-OG 3.09Å; S326-E328 VanDerWaalsContact C-N 3.32Å; S326-E328 PolarHBondContact O-N 3.15Å; S326-V329 PolarHBondContact O-N 3.39Å; S326-L330 WeakPolarHBondContact O-CB 3.39Å; S326-L330 VanDerWaalsContact O-CG 3.28Å; S326-L330 WeakPolarHBondContact O-CG 3.37Å; S326-L330 PolarHBondContact O-N 2.82Å
327K93.9Very high92.4Very high116 Ų116107.4 Ų107.450%0.50461%0.606SS.*Hα-helixtrans-61.2-39.8173.9-73.7178.3-178.9177.80112.3I322 S323 S324 L330 R331I322-K327 HydrophobicContact CB-CG 4.29Å; I322-K327 HydrophobicContact CG2-CG 4.03Å; I322-K327 WeakPolarHBondContact O-CE 3.17Å; S323-K327 WeakPolarHBondContact O-CG 3.24Å; S323-K327 PolarHBondContact O-N 3.05Å; S324-K327 PolarHBondContact O-N 2.77Å; K327-L330 PolarHBondContact O-N 3.46Å; K327-R331 WeakPolarHBondContact O-CB 3.34Å; K327-R331 PolarHBondContact O-N 3.18Å
328E94.8Very high92.2Very high109 Ų109110.1 Ų110.151%0.50962%0.617SS.*Hα-helixtrans-65.6-42.9177.5-168.857.3-148.400111.7S324 S325 S326 R331 K332S324-E328 PolarHBondContact O-N 3.49Å; S324-E328 VanDerWaalsContact O-N 3.12Å; S325-E328 PolarHBondContact O-N 3.46Å; S326-E328 VanDerWaalsContact C-N 3.32Å; S326-E328 PolarHBondContact O-N 3.15Å; E328-R331 PolarHBondContact O-N 3.16Å; E328-R331 IonicContact OE2-CZ 3.85Å; E328-R331 IonicContact OE2-NH1 2.68Å; E328-R331 PolarHBondContact OE2-NH1 3.01Å; E328-K332 PolarHBondContact O-N 2.88Å
329V94.8Very high92Very high87 Ų87108.9 Ų108.953%0.52762%0.619SS.*Hα-helixtrans-61.3-45.6174.3176.70000111.1S325 S326 R331 K332 H333S325-V329 WeakPolarHBondContact O-CG2 3.35Å; S325-V329 PolarHBondContact O-N 2.84Å; S326-V329 PolarHBondContact O-N 3.39Å; V329-R331 PolarHBondContact O-N 3.23Å; V329-K332 PolarHBondContact O-N 2.84Å; V329-H333 PolarHBondContact O-CD2 2.76Å; V329-H333 VanDerWaalsContact O-CD2 3.23Å; V329-H333 PolarHBondContact O-N 3.4Å
330L93Very high91.8Very high68 Ų68111.3 Ų111.336%0.35663%0.629SS.*Hα-helixtrans-64-41178.5-69.9172.3000112I322 S326 K327 K332 H333 L334I322-L330 HydrophobicContact CD1-CD1 4.02Å; I322-L330 HydrophobicContact CG2-CD1 4.38Å; S326-L330 WeakPolarHBondContact O-CB 3.39Å; S326-L330 VanDerWaalsContact O-CG 3.28Å; S326-L330 WeakPolarHBondContact O-CG 3.37Å; S326-L330 PolarHBondContact O-N 2.82Å; K327-L330 PolarHBondContact O-N 3.46Å; L330-K332 PolarHBondContact O-N 3.28Å; L330-H333 PolarHBondContact O-N 3.42Å; L330-H333 VanDerWaalsContact O-N 3.12Å; L330-L334 HydrophobicContact CB-CD1 4.13Å; L330-L334 HydrophobicContact CD2-CD1 4.23Å; L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 WeakPolarHBondContact O-CG 3.19Å; L330-L334 PolarHBondContact O-N 3.26Å
331R92.2Very high91.6Very high177 Ų177107.9 Ų107.967%0.66861%0.614SS**Hα-helixtrans-58.7-35.3176.2-178.1-177.9-70.5137.6-5.5112.4K327 E328 V329K327-R331 WeakPolarHBondContact O-CB 3.34Å; K327-R331 PolarHBondContact O-N 3.18Å; E328-R331 PolarHBondContact O-N 3.16Å; E328-R331 IonicContact OE2-CZ 3.85Å; E328-R331 IonicContact OE2-NH1 2.68Å; E328-R331 PolarHBondContact OE2-NH1 3.01Å; V329-R331 PolarHBondContact O-N 3.23Å
332K94.6Very high91.4Very high170 Ų170106.8 Ų106.874%0.73960%0.604SS**Hα-helixtrans-70.5-29.2177.8-173.4178.8178.9-178.30113.3E328 V329 L330E328-K332 PolarHBondContact O-N 2.88Å; V329-K332 PolarHBondContact O-N 2.84Å; L330-K332 PolarHBondContact O-N 3.28Å
333H92.3Very high91.3Very high138 Ų138109.9 Ų109.964%0.63962%0.623SS**Hα-helixtrans-111.9-20.1-168.9-70.3-65.3000115.1V329 L330V329-H333 PolarHBondContact O-CD2 2.76Å; V329-H333 VanDerWaalsContact O-CD2 3.23Å; V329-H333 PolarHBondContact O-N 3.4Å; L330-H333 PolarHBondContact O-N 3.42Å; L330-H333 VanDerWaalsContact O-N 3.12Å
334L91.4Very high91Very high85 Ų85113.6 Ų113.645%0.44564%0.638SS.*SBendtrans-90.8141.9177.7-63.6179000111.4L262 L330L262-L334 HydrophobicContact CD1-CD2 4.13Å; L330-L334 HydrophobicContact CB-CD1 4.13Å; L330-L334 HydrophobicContact CD2-CD1 4.23Å; L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 WeakPolarHBondContact O-CG 3.19Å; L330-L334 PolarHBondContact O-N 3.26Å
335P89.2Confident90.6Very high118 Ų118114.5 Ų114.577%0.76663%0.633SS**  trans-66.815117828.8-34.7000111.6S337P335-S337 PolarHBondContact O-N 2.96Å; P335-S337 VanDerWaalsContact O-N 3.14Å
336A80.2Confident90.2Very high104 Ų104117.4 Ų117.486%0.8664%0.639SS**  trans-75.88.3-176.700000115.3
337S71.6Confident89.8Confident184 Ų184123.3 Ų123.3100%1.28766%0.664SS**  trans78.20-164.3-22.90000114.1P335P335-S337 PolarHBondContact O-N 2.96Å; P335-S337 VanDerWaalsContact O-N 3.14Å

Retrieved 337 of 337 residues in 207.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).