A0A077ZAG2_TRITR Loading...

Cleavage stimulation factor 50 kDa subunit

AlphaFold DB , UniProt , Accession A0A077ZAG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 423 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low79.9Confident203 Ų203110.4 Ų110.4100%153%0.526SS*.  0107.50-78.8-179.3-167.300107.3
2D64Low80.9Confident116 Ų116104.5 Ų104.562%0.6250%0.5SS*.  trans-58.5146.6-166.7-78.6-45.3000113.6N4 M5D2-N4 HydrophobicContact CB-CB 4.29Å; D2-N4 PolarHBondContact O-N 2.89Å; D2-M5 PolarHBondContact O-N 3.12Å
3R71.9Confident82Confident227 Ų227100.8 Ų100.886%0.85748%0.484SS*.Hα-helixtrans-46.4-32.3168.3-85.7-177.6176.2178.8-1.7112.2M5 H6 S7R3-M5 PolarHBondContact O-N 2.93Å; R3-H6 PolarHBondContact O-N 3.02Å; R3-S7 PolarHBondContact O-N 2.74Å
4N79.4Confident82.9Confident118 Ų11893.6 Ų93.663%0.63145%0.449SS*.Hα-helixtrans-61.9-38.8177.8-68.5-2.3000113D2 N8D2-N4 HydrophobicContact CB-CB 4.29Å; D2-N4 PolarHBondContact O-N 2.89Å; N4-N8 WeakPolarHBondContact O-CB 3.24Å; N4-N8 PolarHBondContact O-N 3.06Å; N4-N8 PolarHBondContact O-ND2 2.83Å
5M82.6Confident83.6Confident120 Ų12087.8 Ų87.859%0.59142%0.422SS*.Hα-helixtrans-67.4-41.3177.4-71.6-148.1-151.600111.8D2 R3 N8 L9D2-M5 PolarHBondContact O-N 3.12Å; R3-M5 PolarHBondContact O-N 2.93Å; M5-N8 PolarHBondContact O-N 3.15Å; M5-L9 WeakPolarHBondContact O-CB 3.02Å; M5-L9 PolarHBondContact O-N 3.16Å
6H84Confident84.2Confident97 Ų9783.4 Ų83.445%0.44940%0.401SS..Hα-helixtrans-65.4-44.9178.4-72.682.5000111.3R3 N8 L9 Y10R3-H6 PolarHBondContact O-N 3.02Å; H6-N8 PolarHBondContact O-N 3.46Å; H6-L9 PolarHBondContact O-N 3.26Å; H6-Y10 HydrophobicContact CB-CE2 4.47Å; H6-Y10 WeakPolarHBondContact O-CD2 3.38Å; H6-Y10 PolarHBondContact O-N 2.98Å
7S86.2Confident84.8Confident34 Ų3480.9 Ų80.924%0.23839%0.39CS..Hα-helixtrans-58.8-46174.4166.70000111.4R3 L9 Y10 R11 E35 R37R3-S7 PolarHBondContact O-N 2.74Å; S7-L9 VanDerWaalsContact C-N 3.33Å; S7-L9 PolarHBondContact O-N 2.85Å; S7-Y10 PolarHBondContact O-N 2.88Å; S7-R11 WeakPolarHBondContact O-CG 3.41Å; S7-R11 PolarHBondContact O-N 3.34Å; S7-E35 PolarHBondContact OG-OE2 3.36Å; S7-R37 PolarHBondContact OG-NH2 3.26Å; S7-R37 VanDerWaalsContact OG-NH2 3.15Å
8N87.7Confident85.2Confident85 Ų8579.9 Ų79.946%0.45538%0.382SS..Hα-helixtrans-62.4-38.9177.5-71.9-14000112.7N4 M5 H6 R11 L12N4-N8 WeakPolarHBondContact O-CB 3.24Å; N4-N8 PolarHBondContact O-N 3.06Å; N4-N8 PolarHBondContact O-ND2 2.83Å; M5-N8 PolarHBondContact O-N 3.15Å; H6-N8 PolarHBondContact O-N 3.46Å; N8-R11 PolarHBondContact O-N 3.49Å; N8-L12 WeakPolarHBondContact O-CG 3.45Å; N8-L12 PolarHBondContact O-N 2.82Å; N8-L12 VanDerWaalsContact O-N 3.07Å
9L90.8Very high85.5Confident87 Ų8776.6 Ų76.646%0.45537%0.366SS..Hα-helixtrans-63.8-45.9175.1-18063.4000111.5M5 H6 S7 R11 L12 I13M5-L9 WeakPolarHBondContact O-CB 3.02Å; M5-L9 PolarHBondContact O-N 3.16Å; H6-L9 PolarHBondContact O-N 3.26Å; S7-L9 VanDerWaalsContact C-N 3.33Å; S7-L9 PolarHBondContact O-N 2.85Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 2.77Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-I13 HydrophobicContact CD1-CD1 4.39Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 WeakPolarHBondContact O-CG1 3.37Å; L9-I13 PolarHBondContact O-N 3.03Å
10Y92.4Very high85.8Confident101 Ų10175.5 Ų75.540%0.39636%0.362SS..Hα-helixtrans-60.5-39.9176.5-74.8-60.2000111.9H6 S7 L12 I13 I14 V33H6-Y10 HydrophobicContact CB-CE2 4.47Å; H6-Y10 WeakPolarHBondContact O-CD2 3.38Å; H6-Y10 PolarHBondContact O-N 2.98Å; S7-Y10 PolarHBondContact O-N 2.88Å; Y10-L12 PolarHBondContact O-N 3.49Å; Y10-I13 PolarHBondContact O-N 3.08Å; Y10-I14 WeakPolarHBondContact O-CB 3.32Å; Y10-I14 WeakPolarHBondContact O-CD1 3.28Å; Y10-I14 WeakPolarHBondContact O-CG1 3.27Å; Y10-I14 PolarHBondContact O-N 3.4Å; Y10-V33 HydrophobicContact CD1-CG1 3.93Å; Y10-V33 HydrophobicContact CD2-CG1 4.27Å; Y10-V33 HydrophobicContact CE1-CG1 4.16Å; Y10-V33 HydrophobicContact CE2-CG1 4.49Å; Y10-V33 HydrophobicContact CG-CG1 4Å
11R92Very high85.9Confident26 Ų2674.5 Ų74.510%0.09837%0.372CS..Hα-helixtrans-57.7-48.2173.1-71.9-179.664.171.46.7112.1S7 N8 L9 I13 I14 S15 E35 R37 P38 C39 D83S7-R11 WeakPolarHBondContact O-CG 3.41Å; S7-R11 PolarHBondContact O-N 3.34Å; N8-R11 PolarHBondContact O-N 3.49Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 2.77Å; R11-I13 VanDerWaalsContact C-N 3.3Å; R11-I13 PolarHBondContact O-N 3.34Å; R11-I14 PolarHBondContact O-N 3.07Å; R11-S15 WeakPolarHBondContact O-CB 3.37Å; R11-S15 PolarHBondContact O-N 3.05Å; R11-S15 PolarHBondContact O-OG 2.84Å; R11-E35 HydrophobicContact CG-CG 3.88Å; R11-E35 IonicContact CZ-OE1 2.91Å; R11-E35 IonicContact NH1-OE1 3.44Å; R11-E35 PolarHBondContact NH1-OE1 3.4Å; R11-R37 PolarHBondContact NH1-O 2.83Å; R11-R37 VanDerWaalsContact NH1-O 3.16Å; R11-P38 PolarHBondContact NH1-O 3.37Å; R11-P38 PolarHBondContact NH2-O 3.47Å; R11-C39 PolarHBondContact NH1-SG 3.26Å; R11-D83 IonicContact CZ-OD1 3.89Å; R11-D83 IonicContact NH2-OD1 3.91Å; R11-D83 PolarHBondContact NH2-OD1 3.01Å
12L92.1Very high88Confident40 Ų4070.6 Ų70.621%0.20935%0.347CS..Hα-helixtrans-59.6-40177.5-72.8174.5000112.2N8 L9 Y10 Q16 K44 L45 Y48N8-L12 WeakPolarHBondContact O-CG 3.45Å; N8-L12 PolarHBondContact O-N 2.82Å; N8-L12 VanDerWaalsContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 3.41Å; Y10-L12 PolarHBondContact O-N 3.49Å; L12-Q16 VanDerWaalsContact O-CB 3.29Å; L12-Q16 WeakPolarHBondContact O-CB 3.39Å; L12-Q16 PolarHBondContact O-N 2.87Å; L12-K44 HydrophobicContact CD2-CB 3.88Å; L12-K44 HydrophobicContact CD2-CD 4.44Å; L12-L45 HydrophobicContact CB-CB 4.23Å; L12-L45 HydrophobicContact CB-CD1 4.34Å; L12-Y48 HydrophobicContact CD1-CD2 4.19Å; L12-Y48 HydrophobicContact CD1-CE2 4.05Å; L12-Y48 HydrophobicContact CD2-CE2 4.27Å
13I94.5Very high89.2Confident57 Ų5768.1 Ų68.129%0.29234%0.338SS..Hα-helixtrans-65.9-47.3176.3-65.6165.9000110.8L9 Y10 R11 S15 Q16 L17 L29 L45L9-I13 HydrophobicContact CD1-CD1 4.39Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 WeakPolarHBondContact O-CG1 3.37Å; L9-I13 PolarHBondContact O-N 3.03Å; Y10-I13 PolarHBondContact O-N 3.08Å; R11-I13 VanDerWaalsContact C-N 3.3Å; R11-I13 PolarHBondContact O-N 3.34Å; I13-S15 PolarHBondContact O-N 3.14Å; I13-Q16 PolarHBondContact O-N 3.12Å; I13-L17 HydrophobicContact CG2-CD1 4.25Å; I13-L17 WeakPolarHBondContact O-CG 3.27Å; I13-L17 PolarHBondContact O-N 2.93Å; I13-L29 HydrophobicContact CG2-CD2 3.86Å; I13-L45 HydrophobicContact CB-CD2 4.48Å; I13-L45 HydrophobicContact CG1-CD2 3.86Å
14I94.4Very high90.2Very high0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-60.9-47.2179.1-67.8161.9000110.2Y10 R11 Q16 L17 Y18 A26 L29 V33 E35 C39Y10-I14 WeakPolarHBondContact O-CB 3.32Å; Y10-I14 WeakPolarHBondContact O-CD1 3.28Å; Y10-I14 WeakPolarHBondContact O-CG1 3.27Å; Y10-I14 PolarHBondContact O-N 3.4Å; R11-I14 PolarHBondContact O-N 3.07Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.34Å; I14-L17 PolarHBondContact O-N 3.18Å; I14-Y18 HydrophobicContact CG2-CD2 3.83Å; I14-Y18 HydrophobicContact CG2-CE2 3.56Å; I14-Y18 VanDerWaalsContact O-CD2 3.31Å; I14-Y18 WeakPolarHBondContact O-CD2 3.33Å; I14-Y18 PolarHBondContact O-N 3.27Å; I14-A26 HydrophobicContact CG2-CB 4.23Å; I14-L29 HydrophobicContact CD1-CG 4.29Å; I14-L29 HydrophobicContact CG1-CB 4.23Å; I14-L29 HydrophobicContact CG1-CD2 3.68Å; I14-L29 HydrophobicContact CG1-CG 3.83Å; I14-V33 HydrophobicContact CD1-CG2 3.93Å; I14-E35 HydrophobicContact CD1-CB 4.46Å; I14-C39 HydrophobicContact CB-CB 4.24Å; I14-C39 HydrophobicContact CG2-CB 3.6Å
15S93.4Very high90.8Very high6 Ų665.4 Ų65.44%0.04233%0.333CS..Hα-helixtrans-60.3-40.1176.2-79.10000112.9R11 I13 Y18 Y19 P40 P41 S42R11-S15 WeakPolarHBondContact O-CB 3.37Å; R11-S15 PolarHBondContact O-N 3.05Å; R11-S15 PolarHBondContact O-OG 2.84Å; I13-S15 PolarHBondContact O-N 3.14Å; S15-Y18 PolarHBondContact O-N 2.99Å; S15-Y19 WeakPolarHBondContact O-CB 3.47Å; S15-Y19 PolarHBondContact O-N 3.34Å; S15-P40 WeakPolarHBondContact CA-O 3.38Å; S15-P40 WeakPolarHBondContact CB-O 3.37Å; S15-P40 PolarHBondContact OG-O 2.75Å; S15-P41 WeakPolarHBondContact O-CA 3.45Å; S15-S42 CarbonylContact C-O 3.2Å; S15-S42 PolarHBondContact O-N 3.25Å; S15-S42 VanDerWaalsContact O-N 3.12Å
16Q93.9Very high91.3Very high18 Ų1859.7 Ų59.78%0.08431%0.305CS..Hα-helixtrans-65.4-43.1175.5-174.96555.800111.4L12 I13 I14 Y18 Y19 D20 S42 L45 L46L12-Q16 VanDerWaalsContact O-CB 3.29Å; L12-Q16 WeakPolarHBondContact O-CB 3.39Å; L12-Q16 PolarHBondContact O-N 2.87Å; I13-Q16 PolarHBondContact O-N 3.12Å; I14-Q16 VanDerWaalsContact C-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.34Å; Q16-Y18 VanDerWaalsContact C-N 3.33Å; Q16-Y18 PolarHBondContact O-N 3Å; Q16-Y19 WeakPolarHBondContact O-CB 3.39Å; Q16-Y19 PolarHBondContact O-N 3.08Å; Q16-Y19 VanDerWaalsContact O-N 3.15Å; Q16-D20 PolarHBondContact NE2-OD2 2.93Å; Q16-D20 WeakPolarHBondContact O-CB 3.37Å; Q16-D20 PolarHBondContact O-N 3.26Å; Q16-S42 WeakPolarHBondContact CA-O 3.34Å; Q16-S42 PolarHBondContact N-O 3.47Å; Q16-L45 HydrophobicContact CB-CB 4.15Å; Q16-L45 HydrophobicContact CB-CD2 4.11Å; Q16-L45 HydrophobicContact CG-CB 4.4Å; Q16-L45 HydrophobicContact CG-CD2 4.37Å; Q16-L46 VanDerWaalsContact OE1-N 3.13Å
17L94.5Very high91.7Very high41 Ų4156.7 Ų56.722%0.21530%0.297CS..Hα-helixtrans-61.5-40.8176.2-71.7174.2000111.9I13 I14 D20 G21 Y22 A26 L29I13-L17 HydrophobicContact CG2-CD1 4.25Å; I13-L17 WeakPolarHBondContact O-CG 3.27Å; I13-L17 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3.18Å; L17-D20 PolarHBondContact O-N 2.92Å; L17-G21 PolarHBondContact O-N 3Å; L17-Y22 HydrophobicContact CD2-CD2 3.97Å; L17-Y22 HydrophobicContact CD2-CG 4.39Å; L17-Y22 WeakPolarHBondContact O-CA 3.39Å; L17-Y22 WeakPolarHBondContact O-CB 3.32Å; L17-Y22 PolarHBondContact O-N 2.92Å; L17-A26 HydrophobicContact CB-CB 3.8Å; L17-L29 HydrophobicContact CD1-CD2 3.99Å
18Y92.5Very high92.1Very high62 Ų6258.1 Ų58.124%0.24331%0.306CS..Hα-helixtrans-62.2-44.6172.3-80.9-58.4000112I14 S15 Q16 D20 G21 A26 A27 C39I14-Y18 HydrophobicContact CG2-CD2 3.83Å; I14-Y18 HydrophobicContact CG2-CE2 3.56Å; I14-Y18 VanDerWaalsContact O-CD2 3.31Å; I14-Y18 WeakPolarHBondContact O-CD2 3.33Å; I14-Y18 PolarHBondContact O-N 3.27Å; S15-Y18 PolarHBondContact O-N 2.99Å; Q16-Y18 VanDerWaalsContact C-N 3.33Å; Q16-Y18 PolarHBondContact O-N 3Å; Y18-D20 VanDerWaalsContact C-N 3.26Å; Y18-D20 PolarHBondContact O-N 3.01Å; Y18-G21 PolarHBondContact O-N 3.47Å; Y18-A26 HydrophobicContact CD1-CB 3.67Å; Y18-A26 HydrophobicContact CD2-CB 3.61Å; Y18-A26 HydrophobicContact CE1-CB 3.62Å; Y18-A26 HydrophobicContact CE2-CB 3.57Å; Y18-A26 HydrophobicContact CG-CB 3.65Å; Y18-A27 WeakPolarHBondContact OH-CA 3.46Å; Y18-A27 PolarHBondContact OH-N 3.25Å; Y18-C39 WeakPolarHBondContact CD2-O 3.38Å; Y18-C39 HydrophobicContact CE2-CB 4.48Å; Y18-C39 WeakPolarHBondContact CE2-O 3.12Å
19Y90.6Very high92.4Very high18 Ų1855.7 Ų55.77%0.07129%0.293CS..Hα-helixtrans-60.2-35.8176.3-178.7-92.7000113S15 Q16 G21 N43 E326 R331 L333S15-Y19 WeakPolarHBondContact O-CB 3.47Å; S15-Y19 PolarHBondContact O-N 3.34Å; Q16-Y19 WeakPolarHBondContact O-CB 3.39Å; Q16-Y19 PolarHBondContact O-N 3.08Å; Q16-Y19 VanDerWaalsContact O-N 3.15Å; Y19-G21 PolarHBondContact O-N 3.15Å; Y19-N43 HydrophobicContact CD1-CB 3.88Å; Y19-N43 HydrophobicContact CD2-CB 4.16Å; Y19-N43 HydrophobicContact CE1-CB 3.61Å; Y19-N43 HydrophobicContact CE2-CB 3.92Å; Y19-N43 HydrophobicContact CG-CB 4.13Å; Y19-N43 PolarHBondContact OH-ND2 3.41Å; Y19-E326 WeakPolarHBondContact CE2-OE1 3.45Å; Y19-E326 PolarHBondContact OH-OE1 3.29Å; Y19-E326 PolarHBondContact OH-OE2 3.39Å; Y19-R331 PolarHBondContact O-NH1 2.93Å; Y19-L333 HydrophobicContact CD2-CD2 3.88Å; Y19-L333 HydrophobicContact CE2-CD2 3.92Å
20D91.8Very high92.4Very high54 Ų5452.5 Ų52.529%0.28928%0.278SS..THydrogen-bonded Turntrans-81.61.1177-69.2-39.6000114.2Q16 L17 Y18 Y22 R331Q16-D20 PolarHBondContact NE2-OD2 2.93Å; Q16-D20 WeakPolarHBondContact O-CB 3.37Å; Q16-D20 PolarHBondContact O-N 3.26Å; L17-D20 PolarHBondContact O-N 2.92Å; Y18-D20 VanDerWaalsContact C-N 3.26Å; Y18-D20 PolarHBondContact O-N 3.01Å; D20-Y22 HydrophobicContact CB-CD2 3.64Å; D20-Y22 HydrophobicContact CB-CE2 3.72Å; D20-R331 IonicContact OD1-CZ 3.96Å; D20-R331 IonicContact OD1-NH1 2.9Å; D20-R331 PolarHBondContact OD1-NH1 3.01Å
21G87.7Confident92.4Very high55 Ų5555.7 Ų55.757%0.56729%0.294SS*.THydrogen-bonded Turntrans83.28.7177.500000114.4L17 Y18 Y19 S23L17-G21 PolarHBondContact O-N 3Å; Y18-G21 PolarHBondContact O-N 3.47Å; Y19-G21 PolarHBondContact O-N 3.15Å; G21-S23 PolarHBondContact O-N 3.32Å
22Y92.3Very high92.4Very high121 Ų12160.7 Ų60.748%0.47532%0.32SS..  trans-84.148.6177.1-59.7-65.7000112.5L17 D20 Q24 M25 A26L17-Y22 HydrophobicContact CD2-CD2 3.97Å; L17-Y22 HydrophobicContact CD2-CG 4.39Å; L17-Y22 WeakPolarHBondContact O-CA 3.39Å; L17-Y22 WeakPolarHBondContact O-CB 3.32Å; L17-Y22 PolarHBondContact O-N 2.92Å; D20-Y22 HydrophobicContact CB-CD2 3.64Å; D20-Y22 HydrophobicContact CB-CE2 3.72Å; Y22-Q24 VanDerWaalsContact C-N 3.29Å; Y22-Q24 PolarHBondContact O-N 2.96Å; Y22-M25 HydrophobicContact CD1-CE 3.67Å; Y22-M25 HydrophobicContact CD1-SD 4.27Å; Y22-M25 HydrophobicContact CE1-CE 4.23Å; Y22-M25 HydrophobicContact CG-CE 4.4Å; Y22-M25 HydrophobicContact CG-SD 4.44Å; Y22-M25 PolarHBondContact O-N 3.28Å; Y22-A26 PolarHBondContact O-N 3.46Å
23S88.8Confident92.4Very high64 Ų6460.9 Ų60.945%0.44832%0.323SS..Hα-helixtrans-57.3-36.9-171.1-50.20000114G21 A27G21-S23 PolarHBondContact O-N 3.32Å; S23-A27 VanDerWaalsContact O-CB 3.3Å; S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 3.39Å
24Q92Very high92.1Very high176 Ų17664.4 Ų64.482%0.82234%0.343SS*.Hα-helixtrans-66.3-41.4178-66.2-179.63.100112.1Y22 S28Y22-Q24 VanDerWaalsContact C-N 3.29Å; Y22-Q24 PolarHBondContact O-N 2.96Å; Q24-S28 WeakPolarHBondContact O-CB 3.29Å; Q24-S28 PolarHBondContact O-N 2.86Å
25M93.8Very high91.6Very high112 Ų11265.3 Ų65.355%0.55235%0.347SS*.Hα-helixtrans-70.8-43.1178.4-59.6-176.7-149.100110.6Y22 A27 S28 L29Y22-M25 HydrophobicContact CD1-CE 3.67Å; Y22-M25 HydrophobicContact CD1-SD 4.27Å; Y22-M25 HydrophobicContact CE1-CE 4.23Å; Y22-M25 HydrophobicContact CG-CE 4.4Å; Y22-M25 HydrophobicContact CG-SD 4.44Å; Y22-M25 PolarHBondContact O-N 3.28Å; M25-A27 PolarHBondContact O-N 2.96Å; M25-S28 PolarHBondContact O-N 3.45Å; M25-L29 WeakPolarHBondContact O-CB 3.38Å; M25-L29 PolarHBondContact O-N 3.38Å
26A92.9Very high91Very high0 Ų072.5 Ų72.50%039%0.385CS..Hα-helixtrans-58.9-46.2176.600000111.6I14 L17 Y18 Y22 L29 S30I14-A26 HydrophobicContact CG2-CB 4.23Å; L17-A26 HydrophobicContact CB-CB 3.8Å; Y18-A26 HydrophobicContact CD1-CB 3.67Å; Y18-A26 HydrophobicContact CD2-CB 3.61Å; Y18-A26 HydrophobicContact CE1-CB 3.62Å; Y18-A26 HydrophobicContact CE2-CB 3.57Å; Y18-A26 HydrophobicContact CG-CB 3.65Å; Y22-A26 PolarHBondContact O-N 3.46Å; A26-L29 PolarHBondContact O-N 3.25Å; A26-S30 WeakPolarHBondContact O-CB 3.35Å; A26-S30 PolarHBondContact O-N 2.97Å
27A91.9Very high90.5Very high34 Ų3477.7 Ų77.728%0.28140%0.404SS..Hα-helixtrans-64.8-39.6176.600000112.8Y18 S23 M25 K31Y18-A27 WeakPolarHBondContact OH-CA 3.46Å; Y18-A27 PolarHBondContact OH-N 3.25Å; S23-A27 VanDerWaalsContact O-CB 3.3Å; S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 3.39Å; M25-A27 PolarHBondContact O-N 2.96Å; A27-K31 WeakPolarHBondContact O-CG 3.07Å; A27-K31 PolarHBondContact O-N 2.88Å
28S94.3Very high89.9Confident63 Ų6379.2 Ų79.244%0.44142%0.416SS..Hα-helixtrans-64.9-45.21751790000111.5Q24 M25 K31 M32Q24-S28 WeakPolarHBondContact O-CB 3.29Å; Q24-S28 PolarHBondContact O-N 2.86Å; M25-S28 PolarHBondContact O-N 3.45Å; S28-K31 PolarHBondContact O-N 2.93Å; S28-M32 WeakPolarHBondContact O-CG 3.43Å; S28-M32 PolarHBondContact O-N 3.5Å; S28-M32 VanDerWaalsContact O-N 3.08Å
29L93.5Very high89.7Confident35 Ų3576.9 Ų76.918%0.18341%0.408CS..Hα-helixtrans-62.3-46.4178.3-177.760.1000111.6I13 I14 L17 M25 A26 K31 M32 V33I13-L29 HydrophobicContact CG2-CD2 3.86Å; I14-L29 HydrophobicContact CD1-CG 4.29Å; I14-L29 HydrophobicContact CG1-CB 4.23Å; I14-L29 HydrophobicContact CG1-CD2 3.68Å; I14-L29 HydrophobicContact CG1-CG 3.83Å; L17-L29 HydrophobicContact CD1-CD2 3.99Å; M25-L29 WeakPolarHBondContact O-CB 3.38Å; M25-L29 PolarHBondContact O-N 3.38Å; A26-L29 PolarHBondContact O-N 3.25Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3Å; L29-M32 HydrophobicContact CB-CE 4.39Å; L29-M32 HydrophobicContact CD1-CE 4.06Å; L29-M32 PolarHBondContact O-N 3.4Å; L29-V33 HydrophobicContact CD1-CG1 4.05Å; L29-V33 WeakPolarHBondContact O-CG2 3.21Å; L29-V33 PolarHBondContact O-N 3.21Å
30S91.9Very high89.5Confident20 Ų2076.1 Ų76.114%0.1441%0.406CS..Hα-helixtrans-53.6-43.4177-157.50000112.3A26 N34 E35A26-S30 WeakPolarHBondContact O-CB 3.35Å; A26-S30 PolarHBondContact O-N 2.97Å; S30-N34 PolarHBondContact O-N 3.49Å; S30-E35 PolarHBondContact O-N 3.25Å; S30-E35 PolarHBondContact OG-O 3.19Å
31K92.4Very high89.4Confident168 Ų16874.1 Ų74.173%0.7340%0.396SS*.Hα-helixtrans-67-40.5176.2-70.4178-178.4-178.10112.5A27 S28 L29 N34A27-K31 WeakPolarHBondContact O-CG 3.07Å; A27-K31 PolarHBondContact O-N 2.88Å; S28-K31 PolarHBondContact O-N 2.93Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 3Å; K31-N34 PolarHBondContact O-N 3.39Å
32M92.5Very high89.5Confident131 Ų13171.7 Ų71.765%0.64537%0.37SS*.Hα-helixtrans-67-35.9-179.4-71.9-172.9-64.600112.8S28 L29 N34S28-M32 WeakPolarHBondContact O-CG 3.43Å; S28-M32 PolarHBondContact O-N 3.5Å; S28-M32 VanDerWaalsContact O-N 3.08Å; L29-M32 HydrophobicContact CB-CE 4.39Å; L29-M32 HydrophobicContact CD1-CE 4.06Å; L29-M32 PolarHBondContact O-N 3.4Å; M32-N34 VanDerWaalsContact C-N 3.32Å
33V91Very high89.4Confident44 Ų4466.9 Ų66.927%0.26735%0.353SS..THydrogen-bonded Turntrans-88.11.1179.3-57.80000113.5Y10 I14 L29 E35Y10-V33 HydrophobicContact CD1-CG1 3.93Å; Y10-V33 HydrophobicContact CD2-CG1 4.27Å; Y10-V33 HydrophobicContact CE1-CG1 4.16Å; Y10-V33 HydrophobicContact CE2-CG1 4.49Å; Y10-V33 HydrophobicContact CG-CG1 4Å; I14-V33 HydrophobicContact CD1-CG2 3.93Å; L29-V33 HydrophobicContact CD1-CG1 4.05Å; L29-V33 WeakPolarHBondContact O-CG2 3.21Å; L29-V33 PolarHBondContact O-N 3.21Å; V33-E35 VanDerWaalsContact C-N 3.28Å; V33-E35 HydrophobicContact CG2-CB 3.71Å; V33-E35 PolarHBondContact O-N 2.9Å
34N88.3Confident89.4Confident131 Ų13164.9 Ų64.970%0.70134%0.336SS*.THydrogen-bonded Turntrans52.143.4-172.8-59.1-51.1000112.7S30 K31 M32S30-N34 PolarHBondContact O-N 3.49Å; K31-N34 PolarHBondContact O-N 3.39Å; M32-N34 VanDerWaalsContact C-N 3.32Å
35E84.3Confident89.3Confident19 Ų1958.3 Ų58.39%0.08931%0.306CS..  trans-91.9101173.8-174.767.2-132.800108.7S7 R11 I14 S30 V33 R37S7-E35 PolarHBondContact OG-OE2 3.36Å; R11-E35 HydrophobicContact CG-CG 3.88Å; R11-E35 IonicContact CZ-OE1 2.91Å; R11-E35 IonicContact NH1-OE1 3.44Å; R11-E35 PolarHBondContact NH1-OE1 3.4Å; I14-E35 HydrophobicContact CD1-CB 4.46Å; S30-E35 PolarHBondContact O-N 3.25Å; S30-E35 PolarHBondContact OG-O 3.19Å; V33-E35 VanDerWaalsContact C-N 3.28Å; V33-E35 HydrophobicContact CG2-CB 3.71Å; V33-E35 PolarHBondContact O-N 2.9Å; E35-R37 WeakPolarHBondContact OE1-CB 3.49Å; E35-R37 IonicContact OE1-CZ 3.21Å; E35-R37 VanDerWaalsContact OE1-CZ 3.26Å; E35-R37 IonicContact OE1-NE 2.61Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 3.85Å; E35-R37 PolarHBondContact OE1-NH2 2.87Å; E35-R37 IonicContact OE2-NH2 4Å; E35-R37 PolarHBondContact OE2-NH2 3.15Å
36D80.2Confident89.1Confident157 Ų15757.3 Ų57.384%0.8430%0.302SS*.  trans-84.8-20.6-177.3-66-36000113.2
37R82.8Confident88.8Confident127 Ų12761.6 Ų61.648%0.47932%0.318SS..SBendtrans-73.8137.8-179.5-68.8175.8-66.7-176.4-3.9110.1S7 R11 E35 C39S7-R37 PolarHBondContact OG-NH2 3.26Å; S7-R37 VanDerWaalsContact OG-NH2 3.15Å; R11-R37 PolarHBondContact NH1-O 2.83Å; R11-R37 VanDerWaalsContact NH1-O 3.16Å; E35-R37 WeakPolarHBondContact OE1-CB 3.49Å; E35-R37 IonicContact OE1-CZ 3.21Å; E35-R37 VanDerWaalsContact OE1-CZ 3.26Å; E35-R37 IonicContact OE1-NE 2.61Å; E35-R37 PolarHBondContact OE1-NE 3.38Å; E35-R37 IonicContact OE1-NH2 3.85Å; E35-R37 PolarHBondContact OE1-NH2 2.87Å; E35-R37 IonicContact OE2-NH2 4Å; E35-R37 PolarHBondContact OE2-NH2 3.15Å; R37-C39 PolarHBondContact O-N 2.96Å; R37-C39 PolarHBondContact O-SG 2.83Å
38P82.5Confident88.7Confident72 Ų7266.6 Ų66.647%0.46833%0.331SS..  trans-51.2132.3176.2-25.533.2000112.1R11 P40 T377R11-P38 PolarHBondContact NH1-O 3.37Å; R11-P38 PolarHBondContact NH2-O 3.47Å; P38-P40 WeakPolarHBondContact O-CD 3.5Å; P38-T377 HydrophobicContact CB-CG2 4.02Å
39C87.8Confident88.5Confident13 Ų1367.7 Ų67.79%0.08834%0.335CS..  trans-115.691.2175.8-66.60000108.4R11 I14 Y18 R37R11-C39 PolarHBondContact NH1-SG 3.26Å; I14-C39 HydrophobicContact CB-CB 4.24Å; I14-C39 HydrophobicContact CG2-CB 3.6Å; Y18-C39 WeakPolarHBondContact CD2-O 3.38Å; Y18-C39 HydrophobicContact CE2-CB 4.48Å; Y18-C39 WeakPolarHBondContact CE2-O 3.12Å; R37-C39 PolarHBondContact O-N 2.96Å; R37-C39 PolarHBondContact O-SG 2.83Å
40P87.8Confident88.2Confident3 Ų368.8 Ų68.82%0.01934%0.343CS..  trans-70150.2-177.727.3-33.9000112.4S15 P38 S42 M78 A82 M334 R376 T377S15-P40 WeakPolarHBondContact CA-O 3.38Å; S15-P40 WeakPolarHBondContact CB-O 3.37Å; S15-P40 PolarHBondContact OG-O 2.75Å; P38-P40 WeakPolarHBondContact O-CD 3.5Å; P40-S42 PolarHBondContact O-N 3.42Å; P40-S42 VanDerWaalsContact O-N 3.12Å; P40-M78 HydrophobicContact CB-CE 3.94Å; P40-A82 HydrophobicContact CG-CB 3.8Å; P40-A82 VanDerWaalsContact CG-O 3.26Å; P40-A82 WeakPolarHBondContact CG-O 3.37Å; P40-M334 HydrophobicContact CB-CE 4.27Å; P40-R376 WeakPolarHBondContact CB-O 3.18Å; P40-T377 HydrophobicContact CG-CG2 4.48Å
41P88.8Confident88Confident12 Ų1270.9 Ų70.98%0.07836%0.355CS..  trans-43.9115.3166.1-24.819.4000112.4S15 M78 M334S15-P41 WeakPolarHBondContact O-CA 3.45Å; P41-M78 WeakPolarHBondContact O-CE 3.44Å; P41-M334 HydrophobicContact CB-CE 4.37Å; P41-M334 HydrophobicContact CG-CE 3.55Å; P41-M334 HydrophobicContact CG-SD 3.8Å
42S90.4Very high87.8Confident3 Ų364.9 Ų64.92%0.02134%0.337CS..  trans-149.4140.4176.7-1780000111S15 Q16 P40 K44 M78S15-S42 CarbonylContact C-O 3.2Å; S15-S42 PolarHBondContact O-N 3.25Å; S15-S42 VanDerWaalsContact O-N 3.12Å; Q16-S42 WeakPolarHBondContact CA-O 3.34Å; Q16-S42 PolarHBondContact N-O 3.47Å; P40-S42 PolarHBondContact O-N 3.42Å; P40-S42 VanDerWaalsContact O-N 3.12Å; S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 VanDerWaalsContact OG-CG 3.24Å; S42-K44 WeakPolarHBondContact OG-CG 3.31Å; S42-K44 PolarHBondContact OG-N 3.25Å; S42-M78 WeakPolarHBondContact CB-O 3.41Å; S42-M78 PolarHBondContact OG-O 3Å
43N88.9Confident87.5Confident21 Ų2165.9 Ų65.911%0.11234%0.335CS..  trans-9211.8175.465.913.9000113.4Y19 L45 L46 R47 D79Y19-N43 HydrophobicContact CD1-CB 3.88Å; Y19-N43 HydrophobicContact CD2-CB 4.16Å; Y19-N43 HydrophobicContact CE1-CB 3.61Å; Y19-N43 HydrophobicContact CE2-CB 3.92Å; Y19-N43 HydrophobicContact CG-CB 4.13Å; Y19-N43 PolarHBondContact OH-ND2 3.41Å; N43-L45 PolarHBondContact O-N 3.01Å; N43-L45 VanDerWaalsContact O-N 3.15Å; N43-L46 WeakPolarHBondContact O-CB 3.3Å; N43-L46 PolarHBondContact O-N 3.02Å; N43-L46 VanDerWaalsContact O-N 3.08Å; N43-R47 PolarHBondContact O-N 3.28Å; N43-D79 PolarHBondContact ND2-OD1 2.8Å; N43-D79 PolarHBondContact OD1-OD1 3.16Å
44K88.7Confident87.1Confident22 Ų2268.6 Ų68.610%0.09634%0.344CS..Hα-helixtrans-48.6-42.7-179.9-83.6172.3-174.9-172.20112.4L12 S42 R47 Y48 D79 F80 D83L12-K44 HydrophobicContact CD2-CB 3.88Å; L12-K44 HydrophobicContact CD2-CD 4.44Å; S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 VanDerWaalsContact OG-CG 3.24Å; S42-K44 WeakPolarHBondContact OG-CG 3.31Å; S42-K44 PolarHBondContact OG-N 3.25Å; K44-R47 PolarHBondContact O-N 3.03Å; K44-Y48 HydrophobicContact CB-CE2 4.31Å; K44-Y48 VanDerWaalsContact O-CD2 3.24Å; K44-Y48 WeakPolarHBondContact O-CD2 3.45Å; K44-Y48 PolarHBondContact O-N 3.36Å; K44-D79 WeakPolarHBondContact CG-O 3.4Å; K44-F80 WeakPolarHBondContact CE-O 3.17Å; K44-F80 PolarHBondContact NZ-O 3.37Å; K44-D83 IonicContact NZ-OD2 3.53Å; K44-D83 PolarHBondContact NZ-OD2 2.93Å; K44-D83 VanDerWaalsContact NZ-OD2 3.15Å
45L90.9Very high86.8Confident38 Ų3865.5 Ų65.520%0.19933%0.331CS..Hα-helixtrans-63-51.5179.3-177.358.7000111.6L12 I13 Q16 N43 R47 Y48 V49L12-L45 HydrophobicContact CB-CB 4.23Å; L12-L45 HydrophobicContact CB-CD1 4.34Å; I13-L45 HydrophobicContact CB-CD2 4.48Å; I13-L45 HydrophobicContact CG1-CD2 3.86Å; Q16-L45 HydrophobicContact CB-CB 4.15Å; Q16-L45 HydrophobicContact CB-CD2 4.11Å; Q16-L45 HydrophobicContact CG-CB 4.4Å; Q16-L45 HydrophobicContact CG-CD2 4.37Å; N43-L45 PolarHBondContact O-N 3.01Å; N43-L45 VanDerWaalsContact O-N 3.15Å; L45-R47 PolarHBondContact O-N 3.28Å; L45-Y48 PolarHBondContact O-N 3.41Å; L45-V49 HydrophobicContact CD1-CG2 4.47Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 3.06Å
46L90.4Very high86.6Confident90 Ų9070.7 Ų70.747%0.47136%0.355SS..Hα-helixtrans-55.6-39.9176.8176.562.6000111.5Q16 N43 V49 T50Q16-L46 VanDerWaalsContact OE1-N 3.13Å; N43-L46 WeakPolarHBondContact O-CB 3.3Å; N43-L46 PolarHBondContact O-N 3.02Å; N43-L46 VanDerWaalsContact O-N 3.08Å; L46-V49 PolarHBondContact O-N 3.05Å; L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 PolarHBondContact O-N 2.97Å; L46-T50 PolarHBondContact O-OG1 3.31Å
47R86Confident86.1Confident90 Ų9066.8 Ų66.834%0.3433%0.334SS..Hα-helixtrans-66.6-47.4176.7-175.4178171.8-167.8-3.1112.6N43 K44 L45 V49 T50 T51 F80N43-R47 PolarHBondContact O-N 3.28Å; K44-R47 PolarHBondContact O-N 3.03Å; L45-R47 PolarHBondContact O-N 3.28Å; R47-V49 PolarHBondContact O-N 2.94Å; R47-T50 PolarHBondContact O-N 3.17Å; R47-T50 VanDerWaalsContact O-N 3.12Å; R47-T51 PolarHBondContact O-N 3.47Å; R47-T51 PolarHBondContact O-OG1 3.15Å; R47-T51 VanDerWaalsContact O-OG1 3.07Å; R47-F80 VanDerWaalsContact CZ-CZ 3.4Å
48Y89Confident85.1Confident139 Ų13965.7 Ų65.755%0.54533%0.334SS..Hα-helixtrans-56.6-42.7176.1-67.7-39.6000111.5L12 K44 L45 A52L12-Y48 HydrophobicContact CD1-CD2 4.19Å; L12-Y48 HydrophobicContact CD1-CE2 4.05Å; L12-Y48 HydrophobicContact CD2-CE2 4.27Å; K44-Y48 HydrophobicContact CB-CE2 4.31Å; K44-Y48 VanDerWaalsContact O-CD2 3.24Å; K44-Y48 WeakPolarHBondContact O-CD2 3.45Å; K44-Y48 PolarHBondContact O-N 3.36Å; L45-Y48 PolarHBondContact O-N 3.41Å; Y48-A52 VanDerWaalsContact O-CB 3.27Å; Y48-A52 WeakPolarHBondContact O-CB 3.04Å; Y48-A52 PolarHBondContact O-N 3.46Å
49V90Very high83.7Confident86 Ų8670.3 Ų70.352%0.52135%0.349SS..Hα-helixtrans-64.3-42.6175.91750000111.5L45 L46 R47 A52 Y53L45-V49 HydrophobicContact CD1-CG2 4.47Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 3.06Å; L46-V49 PolarHBondContact O-N 3.05Å; R47-V49 PolarHBondContact O-N 2.94Å; V49-A52 PolarHBondContact O-N 3.33Å; V49-Y53 WeakPolarHBondContact O-CB 3.24Å; V49-Y53 PolarHBondContact O-N 3.39Å
50T88.3Confident81.9Confident58 Ų5877.7 Ų77.736%0.35638%0.383SS..Hα-helixtrans-66.1-45.1179.5-57.60000111.6L46 R47 A52 Y53 Q54L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 PolarHBondContact O-N 2.97Å; L46-T50 PolarHBondContact O-OG1 3.31Å; R47-T50 PolarHBondContact O-N 3.17Å; R47-T50 VanDerWaalsContact O-N 3.12Å; T50-A52 VanDerWaalsContact C-N 3.35Å; T50-Y53 PolarHBondContact O-N 3.37Å; T50-Q54 WeakPolarHBondContact O-CB 3.47Å; T50-Q54 WeakPolarHBondContact O-CG 3.39Å; T50-Q54 PolarHBondContact O-N 2.73Å
51T88.1Confident79.6Confident65 Ų6585.2 Ų85.240%0.39942%0.417SS..Hα-helixtrans-63.4-42.8176.1-540000110.5R47 Y53 Q54 T55R47-T51 PolarHBondContact O-N 3.47Å; R47-T51 PolarHBondContact O-OG1 3.15Å; R47-T51 VanDerWaalsContact O-OG1 3.07Å; T51-Y53 PolarHBondContact O-N 3Å; T51-Q54 PolarHBondContact O-N 2.91Å; T51-T55 HydrophobicContact CG2-CG2 4.47Å; T51-T55 WeakPolarHBondContact O-CG2 3.43Å; T51-T55 PolarHBondContact O-N 3.26Å; T51-T55 PolarHBondContact O-OG1 2.9Å
52A87.6Confident77Confident42 Ų4295 Ų9535%0.34746%0.459SS..Hα-helixtrans-59.6-47.3175.600000111.2Y48 V49 T50 Q54 T55 E56Y48-A52 VanDerWaalsContact O-CB 3.27Å; Y48-A52 WeakPolarHBondContact O-CB 3.04Å; Y48-A52 PolarHBondContact O-N 3.46Å; V49-A52 PolarHBondContact O-N 3.33Å; T50-A52 VanDerWaalsContact C-N 3.35Å; A52-Q54 VanDerWaalsContact C-N 3.33Å; A52-Q54 PolarHBondContact O-N 2.82Å; A52-T55 WeakPolarHBondContact CA-OG1 3.24Å; A52-T55 PolarHBondContact O-N 2.83Å; A52-T55 VanDerWaalsContact O-N 3.16Å; A52-T55 PolarHBondContact O-OG1 3.07Å; A52-E56 WeakPolarHBondContact O-CG 3.49Å; A52-E56 PolarHBondContact O-N 2.75Å
53Y85.6Confident74.3Confident151 Ų15197.9 Ų97.959%0.59249%0.489SS*.Hα-helixtrans-61.7-39.2176.5-169.6-103.3000112.5V49 T50 T51 N57V49-Y53 WeakPolarHBondContact O-CB 3.24Å; V49-Y53 PolarHBondContact O-N 3.39Å; T50-Y53 PolarHBondContact O-N 3.37Å; T51-Y53 PolarHBondContact O-N 3Å; Y53-N57 WeakPolarHBondContact CD1-ND2 3.35Å; Y53-N57 WeakPolarHBondContact CE1-ND2 3.43Å; Y53-N57 WeakPolarHBondContact O-CB 3.1Å; Y53-N57 VanDerWaalsContact O-CG 3.25Å; Y53-N57 PolarHBondContact O-N 3.12Å; Y53-N57 PolarHBondContact O-ND2 3.35Å
54Q82.4Confident71.6Confident101 Ų101105.8 Ų105.847%0.47252%0.522SS..Hα-helixtrans-64.3-45.5172.8-75.1173.8-1.200111.2T50 T51 A52 E56 N57 E58T50-Q54 WeakPolarHBondContact O-CB 3.47Å; T50-Q54 WeakPolarHBondContact O-CG 3.39Å; T50-Q54 PolarHBondContact O-N 2.73Å; T51-Q54 PolarHBondContact O-N 2.91Å; A52-Q54 VanDerWaalsContact C-N 3.33Å; A52-Q54 PolarHBondContact O-N 2.82Å; Q54-E56 PolarHBondContact O-N 3.12Å; Q54-N57 CarbonylContact O-C 3.59Å; Q54-N57 PolarHBondContact O-N 2.72Å; Q54-E58 VanDerWaalsContact O-CB 3.28Å; Q54-E58 WeakPolarHBondContact O-CB 3.45Å; Q54-E58 VanDerWaalsContact O-CG 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.21Å; Q54-E58 PolarHBondContact O-N 2.85Å
55T83.3Confident68.8Low67 Ų67110.7 Ų110.741%0.41156%0.559SS.*Hα-helixtrans-67.4-34.6178.454.70000113.4T51 A52 Q59T51-T55 HydrophobicContact CG2-CG2 4.47Å; T51-T55 WeakPolarHBondContact O-CG2 3.43Å; T51-T55 PolarHBondContact O-N 3.26Å; T51-T55 PolarHBondContact O-OG1 2.9Å; A52-T55 WeakPolarHBondContact CA-OG1 3.24Å; A52-T55 PolarHBondContact O-N 2.83Å; A52-T55 VanDerWaalsContact O-N 3.16Å; A52-T55 PolarHBondContact O-OG1 3.07Å; T55-Q59 VanDerWaalsContact O-CG 3.32Å; T55-Q59 WeakPolarHBondContact O-CG 3.39Å; T55-Q59 PolarHBondContact O-N 2.98Å
56E78.7Confident65.9Low128 Ų128120.3 Ų120.360%0.59859%0.593SS**Hα-helixtrans-66-39.2173.3-76.3-176.617000111.1A52 Q54A52-E56 WeakPolarHBondContact O-CG 3.49Å; A52-E56 PolarHBondContact O-N 2.75Å; Q54-E56 PolarHBondContact O-N 3.12Å
57N70.8Confident63Low75 Ų75119.2 Ų119.240%0.40160%0.604SS.*Hα-helixtrans-75.5-36175.8-69.3-39.9000112.9Y53 Q54 Q59 Q60Y53-N57 WeakPolarHBondContact CD1-ND2 3.35Å; Y53-N57 WeakPolarHBondContact CE1-ND2 3.43Å; Y53-N57 WeakPolarHBondContact O-CB 3.1Å; Y53-N57 VanDerWaalsContact O-CG 3.25Å; Y53-N57 PolarHBondContact O-N 3.12Å; Y53-N57 PolarHBondContact O-ND2 3.35Å; Q54-N57 CarbonylContact O-C 3.59Å; Q54-N57 PolarHBondContact O-N 2.72Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; N57-Q59 PolarHBondContact O-N 3.32Å; N57-Q60 WeakPolarHBondContact O-CB 2.97Å; N57-Q60 PolarHBondContact O-N 2.95Å
58E60.3Low60.6Low104 Ų104118.3 Ų118.349%0.48662%0.615SS.*Hα-helixtrans-72.9-19175.8-74.5178.9-178.200112.4Q54 Q60 E61Q54-E58 VanDerWaalsContact O-CB 3.28Å; Q54-E58 WeakPolarHBondContact O-CB 3.45Å; Q54-E58 VanDerWaalsContact O-CG 3.27Å; Q54-E58 WeakPolarHBondContact O-CG 3.21Å; Q54-E58 PolarHBondContact O-N 2.85Å; E58-Q60 PolarHBondContact O-N 2.75Å; E58-Q60 VanDerWaalsContact O-N 3.15Å; E58-E61 CarbonylContact O-C 3.51Å; E58-E61 PolarHBondContact O-N 3.01Å
59Q54.5Low57.8Low168 Ų168118.2 Ų118.279%0.78562%0.624SS**THydrogen-bonded Turntrans-64.3-9.7164.8-78.8178.126.600112.8T55 N57T55-Q59 VanDerWaalsContact O-CG 3.32Å; T55-Q59 WeakPolarHBondContact O-CG 3.39Å; T55-Q59 PolarHBondContact O-N 2.98Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; N57-Q59 PolarHBondContact O-N 3.32Å
60Q50.1Low55.1Low169 Ų169120.9 Ų120.979%0.7963%0.631SS**THydrogen-bonded Turntrans-91.8-16.3164.9-66.3-174.40.500114.4N57 E58N57-Q60 WeakPolarHBondContact O-CB 2.97Å; N57-Q60 PolarHBondContact O-N 2.95Å; E58-Q60 PolarHBondContact O-N 2.75Å; E58-Q60 VanDerWaalsContact O-N 3.15Å
61E39.4Very low52.6Low160 Ų160127.7 Ų127.775%0.74865%0.65SS**SBendtrans-140.7109.1176.6-71.9-164.4159.100112.6E58 G63E58-E61 CarbonylContact O-C 3.51Å; E58-E61 PolarHBondContact O-N 3.01Å; E61-G63 PolarHBondContact O-N 3.15Å; E61-G63 VanDerWaalsContact O-N 3.12Å
62K34.5Very low50.4Low219 Ų219132.2 Ų132.295%0.95267%0.667SS**  trans-57.6113.9178.9-73.2-179.8176.1177.20112.2
63G32.7Very low48.7Very low63 Ų63133.7 Ų133.765%0.64967%0.672SS**  trans110.2104.9138.700000116.1E61E61-G63 PolarHBondContact O-N 3.15Å; E61-G63 VanDerWaalsContact O-N 3.12Å
64K32.2Very low47.8Very low186 Ų186130.2 Ų130.281%0.80967%0.669SS**  -173.6102.2123.4-99.5160.6-171.61780109.9R66K64-R66 PolarHBondContact O-N 3.42Å; K64-R66 VanDerWaalsContact O-N 3.15Å
65S29.8Very low47.8Very low125 Ų125125.8 Ų125.887%0.87465%0.649SS**  trans-59.7112.1164.454.10000109.9
66R30.5Very low48Very low240 Ų240122.6 Ų122.691%0.90663%0.63SS**  trans-94103.8158.5-84.1-177.3165.6178.3-3.1107.5K64 A68K64-R66 PolarHBondContact O-N 3.42Å; K64-R66 VanDerWaalsContact O-N 3.15Å; R66-A68 PolarHBondContact O-N 2.66Å
67G28.9Very low48.4Very low68 Ų68117.3 Ų117.370%0.70161%0.606SS**  trans-59108.816300000107.9N69G67-N69 PolarHBondContact O-N 3.16Å; G67-N69 VanDerWaalsContact O-N 3.09Å
68A35.2Very low49.1Very low70 Ų70113.7 Ų113.758%0.57959%0.586SS**  trans-6610716200000105.2R66 E70R66-A68 PolarHBondContact O-N 2.66Å; A68-E70 VanDerWaalsContact C-N 3.32Å; A68-E70 PolarHBondContact O-N 3.24Å
69N30.8Very low49.9Very low137 Ų137110 Ų11073%0.73357%0.57SS**  trans-59100.9168.4-86.9-12.3000107.4G67 W71G67-N69 PolarHBondContact O-N 3.16Å; G67-N69 VanDerWaalsContact O-N 3.09Å; N69-W71 PolarHBondContact O-N 3.25Å
70E33.8Very low51Low143 Ų143106 Ų10667%0.66855%0.55SS**  trans-71.481.7171-71.4176.1167.400108.1A68 H72A68-E70 VanDerWaalsContact C-N 3.32Å; A68-E70 PolarHBondContact O-N 3.24Å; E70-H72 VanDerWaalsContact C-N 3.34Å; E70-H72 PolarHBondContact O-N 3.27Å
71W35.5Very low52.3Low200 Ų20099 Ų9976%0.75852%0.518SS*.  trans-80.495.8164.9-71.238.5000104.9N69 T73N69-W71 PolarHBondContact O-N 3.25Å; W71-T73 HydrophobicContact CB-CG2 4.29Å; W71-T73 PolarHBondContact O-N 2.91Å
72H41.8Very low54.1Low160 Ų16091.4 Ų91.474%0.74148%0.482SS*.  trans-63.879164.3-71.5-69.4000108.1E70E70-H72 VanDerWaalsContact C-N 3.34Å; E70-H72 PolarHBondContact O-N 3.27Å
73T51.6Low56.2Low74 Ų7484.6 Ų84.645%0.45446%0.457SS..  trans-85143.1166.849.10000108.3W71 C75W71-T73 HydrophobicContact CB-CG2 4.29Å; W71-T73 PolarHBondContact O-N 2.91Å; T73-C75 PolarHBondContact O-N 2.55Å; T73-C75 PolarHBondContact OG1-SG 3.48Å
74S67.4Low58.5Low78 Ų7885.8 Ų85.855%0.54545%0.448SS..SBendtrans-70.259.7172.751.10000111.6N356S74-N356 CarbonylContact O-C 3.58Å; S74-N356 WeakPolarHBondContact O-CA 3.49Å; S74-N356 VanDerWaalsContact O-O 3.08Å
75C82.2Confident61Low7 Ų784.2 Ų84.25%0.04745%0.447CS..SBendtrans-123.4160.917968.70000111.1T73 D77 K308 E357 R376T73-C75 PolarHBondContact O-N 2.55Å; T73-C75 PolarHBondContact OG1-SG 3.48Å; C75-D77 PolarHBondContact O-N 2.96Å; C75-K308 HydrophobicContact CB-CB 4.01Å; C75-E357 WeakPolarHBondContact CA-OE2 3.26Å; C75-E357 WeakPolarHBondContact CB-OE2 3.41Å; C75-R376 PolarHBondContact O-NH2 3.29Å
76L86.8Confident63.7Low0 Ų080 Ų800%042%0.417CS..  trans-76107.1175.418064.9000110.2M78 N309 Y312 L324 F353 E357 R376L76-M78 HydrophobicContact CD1-SD 3.8Å; L76-N309 PolarHBondContact O-ND2 3.46Å; L76-Y312 HydrophobicContact CD2-CD2 4.42Å; L76-Y312 HydrophobicContact CG-CD2 4.4Å; L76-Y312 VanDerWaalsContact O-CE2 3.29Å; L76-Y312 WeakPolarHBondContact O-CE2 3.43Å; L76-L324 HydrophobicContact CD2-CD1 4.22Å; L76-L324 HydrophobicContact CD2-CD2 3.94Å; L76-F353 HydrophobicContact CD2-CE1 3.78Å; L76-F353 HydrophobicContact CD2-CZ 3.99Å; L76-E357 HydrophobicContact CB-CB 3.84Å; L76-E357 PolarHBondContact N-OE2 2.99Å; L76-R376 HydrophobicContact CD1-CG 3.49Å; L76-R376 VanDerWaalsContact CD1-CG 3.49Å
77D88Confident66.4Low17 Ų1773.2 Ų73.29%0.09141%0.406CS..  trans-128.5100.9171.1-163.5-26.6000110.7C75 D79 F80 D81 K311C75-D77 PolarHBondContact O-N 2.96Å; D77-D79 PolarHBondContact O-N 3.09Å; D77-D79 VanDerWaalsContact O-N 3.12Å; D77-D79 VanDerWaalsContact OD1-CB 3.25Å; D77-D79 WeakPolarHBondContact OD1-CB 3.46Å; D77-D79 PolarHBondContact OD1-N 3.4Å; D77-D79 VanDerWaalsContact OD1-N 3.08Å; D77-F80 PolarHBondContact O-N 2.89Å; D77-D81 WeakPolarHBondContact O-CA 3.48Å; D77-D81 WeakPolarHBondContact O-CB 3.47Å; D77-D81 PolarHBondContact O-N 3.39Å; D77-K311 VanDerWaalsContact CG-NZ 3.25Å; D77-K311 IonicContact OD1-NZ 3.59Å; D77-K311 PolarHBondContact OD1-NZ 3.19Å; D77-K311 IonicContact OD2-NZ 3.99Å; D77-K311 PolarHBondContact OD2-NZ 3.27Å
78M84.3Confident69.3Low0 Ų070.4 Ų70.40%038%0.376CS..THydrogen-bonded Turntrans-66.6-14.8-177.5-57.8-62-66.300112.7P40 P41 S42 L76 A82 Y312 L333 M334 R376P40-M78 HydrophobicContact CB-CE 3.94Å; P41-M78 WeakPolarHBondContact O-CE 3.44Å; S42-M78 WeakPolarHBondContact CB-O 3.41Å; S42-M78 PolarHBondContact OG-O 3Å; L76-M78 HydrophobicContact CD1-SD 3.8Å; M78-A82 HydrophobicContact CE-CB 4.27Å; M78-Y312 WeakPolarHBondContact CB-OH 3.22Å; M78-Y312 HydrophobicContact CG-CE1 4.31Å; M78-Y312 HydrophobicContact CG-CE2 4.38Å; M78-Y312 PolarHBondContact N-OH 2.91Å; M78-Y312 VanDerWaalsContact N-OH 3.07Å; M78-L333 HydrophobicContact CG-CD1 4.38Å; M78-M334 HydrophobicContact CE-CE 3.96Å; M78-R376 WeakPolarHBondContact CE-O 3.39Å; M78-R376 HydrophobicContact SD-CB 4.38Å; M78-R376 HydrophobicContact SD-CG 4.26Å
79D77.9Confident71.8Confident25 Ų2569.2 Ų69.213%0.13436%0.362CS..THydrogen-bonded Turntrans-76.8-24.6178.4-51.8-28.3000111.8N43 K44 D77 K311N43-D79 PolarHBondContact ND2-OD1 2.8Å; N43-D79 PolarHBondContact OD1-OD1 3.16Å; K44-D79 WeakPolarHBondContact CG-O 3.4Å; D77-D79 PolarHBondContact O-N 3.09Å; D77-D79 VanDerWaalsContact O-N 3.12Å; D77-D79 VanDerWaalsContact OD1-CB 3.25Å; D77-D79 WeakPolarHBondContact OD1-CB 3.46Å; D77-D79 PolarHBondContact OD1-N 3.4Å; D77-D79 VanDerWaalsContact OD1-N 3.08Å; D79-K311 IonicContact OD2-NZ 3.01Å; D79-K311 PolarHBondContact OD2-NZ 3.05Å
80F76.8Confident74.8Confident86 Ų8665.1 Ų65.138%0.37734%0.338SS..THydrogen-bonded Turntrans-125.6-39.1-174.7-65.3-93.6000112.4K44 R47 D77K44-F80 WeakPolarHBondContact CE-O 3.17Å; K44-F80 PolarHBondContact NZ-O 3.37Å; R47-F80 VanDerWaalsContact CZ-CZ 3.4Å; D77-F80 PolarHBondContact O-N 2.89Å
81D78.8Confident77.6Confident21 Ų2158.3 Ų58.311%0.11231%0.307CS..  trans-110.211.8-161.9-66.7-20.2000113.2D77 D83 L84 R376D77-D81 WeakPolarHBondContact O-CA 3.48Å; D77-D81 WeakPolarHBondContact O-CB 3.47Å; D77-D81 PolarHBondContact O-N 3.39Å; D81-D83 PolarHBondContact O-N 3.29Å; D81-D83 VanDerWaalsContact O-N 3.08Å; D81-L84 HydrophobicContact CB-CB 4.42Å; D81-L84 HydrophobicContact CB-CD1 3.52Å; D81-L84 HydrophobicContact CB-CG 3.82Å; D81-L84 WeakPolarHBondContact O-CB 3.46Å; D81-L84 PolarHBondContact O-N 2.77Å; D81-L84 WeakPolarHBondContact OD1-CD1 3.48Å; D81-R376 WeakPolarHBondContact O-CD 3.19Å; D81-R376 PolarHBondContact O-NE 3.03Å
82A77.3Confident80.3Confident0 Ų049.8 Ų49.80%028%0.279CS..THydrogen-bonded Turntrans-54.1-34.6-174.800000113.5P40 M78P40-A82 HydrophobicContact CG-CB 3.8Å; P40-A82 VanDerWaalsContact CG-O 3.26Å; P40-A82 WeakPolarHBondContact CG-O 3.37Å; M78-A82 HydrophobicContact CE-CB 4.27Å
83D77.4Confident82.8Confident77 Ų7745.6 Ų45.641%0.41226%0.261SS..THydrogen-bonded Turntrans-965.7-179.8-52.7-83.4000113.7R11 K44 D81 L85R11-D83 IonicContact CZ-OD1 3.89Å; R11-D83 IonicContact NH2-OD1 3.91Å; R11-D83 PolarHBondContact NH2-OD1 3.01Å; K44-D83 IonicContact NZ-OD2 3.53Å; K44-D83 PolarHBondContact NZ-OD2 2.93Å; K44-D83 VanDerWaalsContact NZ-OD2 3.15Å; D81-D83 PolarHBondContact O-N 3.29Å; D81-D83 VanDerWaalsContact O-N 3.08Å; D83-L85 PolarHBondContact O-N 3.47Å
84L81.9Confident84.8Confident88 Ų8842.3 Ų42.346%0.46124%0.241SC..PPolyproline II helixtrans-67.9132.1177.6-72.2-171.9000110.6D81D81-L84 HydrophobicContact CB-CB 4.42Å; D81-L84 HydrophobicContact CB-CD1 3.52Å; D81-L84 HydrophobicContact CB-CG 3.82Å; D81-L84 WeakPolarHBondContact O-CB 3.46Å; D81-L84 PolarHBondContact O-N 2.77Å; D81-L84 WeakPolarHBondContact OD1-CD1 3.48Å
85L84.4Confident86.1Confident153 Ų15344 Ų4480%0.80124%0.24SC*.PPolyproline II helixtrans-73.9146.1172.6-67.8172.5000110.6D83 S87D83-L85 PolarHBondContact O-N 3.47Å; L85-S87 PolarHBondContact O-N 3.25Å
86P86.6Confident86.6Confident37 Ų3745.9 Ų45.924%0.2425%0.251CS..PPolyproline II helixtrans-54.5131.2170.8-27.736.1000112.2D358 Y359 D374P86-D358 WeakPolarHBondContact CA-OD2 3.39Å; P86-D358 HydrophobicContact CB-CB 3.98Å; P86-Y359 HydrophobicContact CB-CE1 4.13Å; P86-Y359 HydrophobicContact CB-CE2 4.21Å; P86-Y359 VanDerWaalsContact CB-OH 3.29Å; P86-Y359 WeakPolarHBondContact CB-OH 3.49Å; P86-Y359 HydrophobicContact CG-CE1 3.99Å; P86-D374 WeakPolarHBondContact CG-OD2 3.09Å
87S87.7Confident86.9Confident96 Ų9647 Ų4767%0.67126%0.257SS*.  trans-96.4-20.8171.955.10000112.1L85 N356 D358L85-S87 PolarHBondContact O-N 3.25Å; S87-N356 PolarHBondContact OG-ND2 2.83Å; S87-D358 PolarHBondContact N-OD2 3.37Å; S87-D358 PolarHBondContact OG-OD2 3.19Å
88S88.5Confident87.2Confident9 Ų947.5 Ų47.56%0.06326%0.258CS..SBendtrans-76.4148.6175-81.90000112.2N354 Q355 N356 D358S88-N354 VanDerWaalsContact CB-ND2 3.33Å; S88-N354 WeakPolarHBondContact CB-ND2 3.2Å; S88-N354 PolarHBondContact OG-ND2 2.8Å; S88-N354 VanDerWaalsContact OG-ND2 3.08Å; S88-Q355 PolarHBondContact OG-NE2 3.23Å; S88-N356 PolarHBondContact OG-ND2 2.05Å; S88-N356 PolarHBondContact OG-OD1 2.85Å; S88-D358 PolarHBondContact N-OD2 2.83Å; S88-D358 VanDerWaalsContact N-OD2 3.09Å
89P89.4Confident87.8Confident45 Ų4551 Ų5129%0.29228%0.277SS..PPolyproline II helixtrans-63.6148.3171.928.4-34.7000111Y94 P402 R418P89-Y94 HydrophobicContact CG-CE2 4.27Å; P89-P402 HydrophobicContact CG-CB 4.08Å; P89-R418 HydrophobicContact CB-CG 3.75Å; P89-R418 HydrophobicContact CG-CB 4.04Å; P89-R418 HydrophobicContact CG-CG 3.61Å
90E92.1Very high88.6Confident51 Ų5150.2 Ų50.224%0.23827%0.272CS..PPolyproline II helixtrans-59.2131.9179.1-170.1178.1177.200110.5A92 L93 K381 R382E90-A92 HydrophobicContact CG-CB 4.21Å; E90-A92 PolarHBondContact O-N 2.84Å; E90-L93 HydrophobicContact CB-CD1 4.3Å; E90-L93 HydrophobicContact CB-CG 4.34Å; E90-L93 WeakPolarHBondContact O-CB 3.37Å; E90-L93 PolarHBondContact O-N 3.34Å; E90-K381 HydrophobicContact CG-CB 4.21Å; E90-K381 WeakPolarHBondContact OE1-CB 3.22Å; E90-R382 VanDerWaalsContact OE1-CB 3.23Å; E90-R382 WeakPolarHBondContact OE1-CB 3.36Å; E90-R382 PolarHBondContact OE1-N 3.13Å
91P93.1Very high89.6Confident1 Ų148.8 Ų48.81%0.00628%0.277CS..G310 helixtrans-54.1-28-179.8-29.635.9000114.5L93 Y94 Y359 L361P91-L93 PolarHBondContact O-N 3.07Å; P91-L93 VanDerWaalsContact O-N 3.16Å; P91-Y94 WeakPolarHBondContact O-CB 3.31Å; P91-Y94 VanDerWaalsContact O-CD2 3.31Å; P91-Y94 WeakPolarHBondContact O-CD2 3.2Å; P91-Y94 PolarHBondContact O-N 3Å; P91-Y359 HydrophobicContact CG-CD2 3.9Å; P91-Y359 HydrophobicContact CG-CE2 4.39Å; P91-Y359 HydrophobicContact CG-CG 4.03Å; P91-L361 HydrophobicContact CB-CD2 3.83Å; P91-L361 HydrophobicContact CG-CD2 3.43Å; P91-L361 VanDerWaalsContact CG-CD2 3.43Å
92A92.9Very high90.5Very high20 Ų2048.5 Ų48.517%0.16528%0.275CS..G310 helixtrans-64.2-14.3176.100000114.8E90 R382E90-A92 HydrophobicContact CG-CB 4.21Å; E90-A92 PolarHBondContact O-N 2.84Å; A92-R382 HydrophobicContact CB-CB 3.66Å; A92-R382 HydrophobicContact CB-CG 3.98Å
93L93.5Very high91.5Very high72 Ų7256.8 Ų56.838%0.37731%0.311SS..G310 helixtrans-91.5-3178.5-57.2175.2000113.1E90 P91 R418E90-L93 HydrophobicContact CB-CD1 4.3Å; E90-L93 HydrophobicContact CB-CG 4.34Å; E90-L93 WeakPolarHBondContact O-CB 3.37Å; E90-L93 PolarHBondContact O-N 3.34Å; P91-L93 PolarHBondContact O-N 3.07Å; P91-L93 VanDerWaalsContact O-N 3.16Å; L93-R418 WeakPolarHBondContact O-CD 3.23Å
94Y94.7Very high92.4Very high5 Ų555.8 Ų55.82%0.0231%0.306CS..  trans-73.7144.4-178.4-75.6-134.2000110P89 P91 L384 P402 F404 W416 R418P89-Y94 HydrophobicContact CG-CE2 4.27Å; P91-Y94 WeakPolarHBondContact O-CB 3.31Å; P91-Y94 VanDerWaalsContact O-CD2 3.31Å; P91-Y94 WeakPolarHBondContact O-CD2 3.2Å; P91-Y94 PolarHBondContact O-N 3Å; Y94-L384 WeakPolarHBondContact O-CD1 3.16Å; Y94-P402 HydrophobicContact CE1-CB 4.28Å; Y94-P402 WeakPolarHBondContact CE1-O 3.43Å; Y94-P402 VanDerWaalsContact OH-CA 3.22Å; Y94-P402 WeakPolarHBondContact OH-CA 2.93Å; Y94-P402 WeakPolarHBondContact OH-CB 3.32Å; Y94-F404 AromaticContact CD1-CD1 3.55Å; Y94-F404 HydrophobicContact CD1-CD1 3.55Å; Y94-F404 AromaticContact CD1-CE1 3.3Å; Y94-F404 HydrophobicContact CD1-CE1 3.3Å; Y94-F404 HydrophobicContact CD1-CZ 4.41Å; Y94-F404 AromaticContact CE1-CD1 3.7Å; Y94-F404 HydrophobicContact CE1-CD1 3.7Å; Y94-F404 AromaticContact CE1-CE1 3.87Å; Y94-F404 HydrophobicContact CE1-CE1 3.87Å; Y94-F404 AromaticContact CG-CE1 3.86Å; Y94-F404 HydrophobicContact CG-CE1 3.86Å; Y94-W416 HydrophobicContact CD1-CB 4.4Å; Y94-R418 HydrophobicContact CD1-CB 4.43Å; Y94-R418 HydrophobicContact CD2-CB 3.68Å; Y94-R418 HydrophobicContact CD2-CG 4.5Å; Y94-R418 HydrophobicContact CE2-CB 3.78Å; Y94-R418 HydrophobicContact CG-CB 4.03Å
95E93.6Very high93.2Very high114 Ų11452.5 Ų52.553%0.53329%0.289SS..EExtended strand (participates in β ladder)trans-120.8147.8-178.4-66.9171.5-164.700109.8I97 W416 Y417E95-I97 PolarHBondContact O-N 3.06Å; E95-W416 CarbonylContact O-C 3.48Å; E95-W416 VanDerWaalsContact O-CA 3.26Å; E95-W416 WeakPolarHBondContact O-CA 3.29Å; E95-Y417 PolarHBondContact N-O 3.26Å; E95-Y417 PolarHBondContact O-N 3.33Å
96T94Very high93.7Very high46 Ų4645.2 Ų45.228%0.28225%0.251SS..EExtended strand (participates in β ladder)trans-74.9114.8171.1-60.20000108.8I99 R414 W416T96-I99 HydrophobicContact CG2-CD1 3.98Å; T96-I99 HydrophobicContact CG2-CG1 3.65Å; T96-R414 HydrophobicContact CG2-CB 4.07Å; T96-R414 HydrophobicContact CG2-CG 4.3Å; T96-W416 WeakPolarHBondContact OG1-CH2 3.47Å; T96-W416 WeakPolarHBondContact OG1-CZ2 3.27Å; T96-W416 VanDerWaalsContact OG1-CZ3 3.22Å; T96-W416 WeakPolarHBondContact OG1-CZ3 3.41Å
97I92.5Very high94.2Very high25 Ų2546.1 Ų46.113%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-104.5-19179.565.7163.5000112.9E95 V135 L136 E139 Y415 Y417E95-I97 PolarHBondContact O-N 3.06Å; I97-V135 HydrophobicContact CD1-CG1 3.59Å; I97-V135 HydrophobicContact CG1-CG1 3.9Å; I97-L136 HydrophobicContact CD1-CD2 3.51Å; I97-E139 VanDerWaalsContact CB-OE1 3.28Å; I97-E139 WeakPolarHBondContact CB-OE1 3.3Å; I97-E139 VanDerWaalsContact CG2-OE1 3.31Å; I97-E139 WeakPolarHBondContact CG2-OE1 3.31Å; I97-Y415 HydrophobicContact CD1-CD1 3.68Å; I97-Y415 HydrophobicContact CD1-CE1 3.67Å; I97-Y415 HydrophobicContact CG1-CD1 3.51Å; I97-Y415 HydrophobicContact CG1-CE1 4.03Å; I97-Y415 PolarHBondContact N-O 3.39Å; I97-Y417 HydrophobicContact CD1-CD1 4.19Å; I97-Y417 HydrophobicContact CD1-CG 4.19Å
98F94.7Very high94.7Very high26 Ų2641.8 Ų41.811%0.11422%0.219CC..EExtended strand (participates in β ladder)trans-149.5143.5178.1177.4-103.5000112.5T100 V130 V135 P156 V157 Y415F98-T100 HydrophobicContact CE1-CG2 4.22Å; F98-V130 HydrophobicContact CD1-CG1 4.17Å; F98-V130 HydrophobicContact CE1-CG1 3.71Å; F98-V130 HydrophobicContact CE1-CG2 4.19Å; F98-V130 HydrophobicContact CZ-CG1 4.37Å; F98-V135 HydrophobicContact CB-CB 4.36Å; F98-V135 HydrophobicContact CB-CG1 3.49Å; F98-V135 VanDerWaalsContact CB-CG1 3.49Å; F98-V135 HydrophobicContact CB-CG2 3.95Å; F98-V135 HydrophobicContact CD1-CG2 3.81Å; F98-V135 HydrophobicContact CD2-CG2 4.17Å; F98-V135 HydrophobicContact CE1-CG2 4.36Å; F98-V135 HydrophobicContact CG-CG1 4.17Å; F98-V135 HydrophobicContact CG-CG2 3.7Å; F98-P156 HydrophobicContact CD2-CB 4.41Å; F98-P156 HydrophobicContact CD2-CG 4.22Å; F98-P156 HydrophobicContact CE2-CB 3.89Å; F98-P156 HydrophobicContact CE2-CG 3.81Å; F98-P156 HydrophobicContact CZ-CB 3.96Å; F98-P156 HydrophobicContact CZ-CG 4.37Å; F98-V157 HydrophobicContact CZ-CG2 4.08Å; F98-Y415 PolarHBondContact N-O 3.26Å; F98-Y415 PolarHBondContact O-N 3.31Å
99I96Very high95.1Very high74 Ų7442 Ų4238%0.37922%0.221SC..EExtended strand (participates in β ladder)trans-131.4129.9177.5-51.8-175.8000108.6T96 R412 A413 R414T96-I99 HydrophobicContact CG2-CD1 3.98Å; T96-I99 HydrophobicContact CG2-CG1 3.65Å; I99-R412 HydrophobicContact CG2-CB 4.05Å; I99-R412 HydrophobicContact CG2-CG 4.25Å; I99-A413 WeakPolarHBondContact CA-O 3.3Å; I99-R414 HydrophobicContact CD1-CG 4.35Å; I99-R414 HydrophobicContact CG1-CG 4.12Å; I99-R414 HydrophobicContact CG2-CG 4.38Å
100T95.7Very high95.5Very high8 Ų840.4 Ų40.45%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-117.3137.2167.4-1780000109.6F98 K128 R412 A413F98-T100 HydrophobicContact CE1-CG2 4.22Å; T100-K128 VanDerWaalsContact OG1-CD 3.27Å; T100-K128 WeakPolarHBondContact OG1-CD 3.23Å; T100-K128 PolarHBondContact OG1-NZ 3.04Å; T100-K128 VanDerWaalsContact OG1-NZ 3.16Å; T100-R412 WeakPolarHBondContact O-CA 3.25Å; T100-A413 HydrophobicContact CG2-CB 3.77Å; T100-A413 PolarHBondContact N-O 3.48Å; T100-A413 PolarHBondContact O-N 3.26Å
101A96.6Very high95.8Very high57 Ų5739.1 Ų39.147%0.47121%0.205SC..EExtended strand (participates in β ladder)trans-109136.2-178.900000111.2K128 Y411A101-K128 PolarHBondContact O-NZ 3.09Å; A101-Y411 CarbonylContact C-O 3.53Å; A101-Y411 WeakPolarHBondContact CA-O 3.37Å
102H97.9Very high96Very high14 Ų1440 Ų407%0.06521%0.209CC..  trans-97.5176.1167.1-70.6-97.3000109.9D104 T120 S122 D124 S126 Y411H102-D104 VanDerWaalsContact C-N 3.35Å; H102-D104 WeakPolarHBondContact CB-O 3.49Å; H102-T120 PolarHBondContact NE2-OG1 2.88Å; H102-S122 WeakPolarHBondContact CB-OG 3.46Å; H102-S122 VanDerWaalsContact CG-CB 3.44Å; H102-S122 VanDerWaalsContact ND1-CB 3.32Å; H102-S122 WeakPolarHBondContact ND1-CB 3.04Å; H102-D124 IonicContact ND1-OD1 3.78Å; H102-S126 PolarHBondContact ND1-OG 3.34Å; H102-Y411 PolarHBondContact N-O 2.89Å
103K97.5Very high96.2Very high175 Ų17543.9 Ų43.976%0.76123%0.227SC*.SBendtrans-87.8-8.3176.1-62.6179.8179.4177.50113.1D124K103-D124 HydrophobicContact CB-CB 4.02Å; K103-D124 WeakPolarHBondContact CB-OD2 3.3Å; K103-D124 PolarHBondContact N-OD2 3.4Å
104D97.8Very high96.3Very high56 Ų5644.8 Ų44.830%0.29923%0.233SC..SBendtrans-150.6179.6178.3-162.2-2000109.7H102 C106 S122 D124 Y411H102-D104 VanDerWaalsContact C-N 3.35Å; H102-D104 WeakPolarHBondContact CB-O 3.49Å; D104-C106 PolarHBondContact O-N 3.04Å; D104-S122 VanDerWaalsContact C-OG 3.27Å; D104-S122 PolarHBondContact O-OG 3.16Å; D104-D124 HydrophobicContact CB-CB 3.81Å; D104-Y411 VanDerWaalsContact C-CG 3.48Å; D104-Y411 WeakPolarHBondContact O-CB 3.38Å
105V97.4Very high96.3Very high18 Ų1844.6 Ų44.611%0.10923%0.232CC..  trans-46.5128.6-175.2-63.40000113.5R107 S122 G123 Q167 D409 Y411V105-R107 HydrophobicContact CB-CG 4.43Å; V105-R107 HydrophobicContact CG2-CG 3.89Å; V105-S122 CarbonylContact O-C 3.57Å; V105-S122 WeakPolarHBondContact O-CA 3.29Å; V105-S122 WeakPolarHBondContact O-CB 3.34Å; V105-S122 PolarHBondContact O-OG 3.18Å; V105-G123 PolarHBondContact O-N 3.07Å; V105-Q167 VanDerWaalsContact CG2-NE2 3.26Å; V105-D409 HydrophobicContact CB-CB 4.48Å; V105-D409 VanDerWaalsContact CB-OD1 3.32Å; V105-D409 WeakPolarHBondContact CB-OD1 3.32Å; V105-D409 HydrophobicContact CG1-CB 3.87Å; V105-D409 VanDerWaalsContact CG1-OD1 3.27Å; V105-D409 WeakPolarHBondContact CG1-OD1 3.39Å; V105-Y411 HydrophobicContact CB-CD1 4.4Å; V105-Y411 HydrophobicContact CB-CE1 4.46Å; V105-Y411 HydrophobicContact CG1-CD1 3.97Å; V105-Y411 HydrophobicContact CG1-CE1 3.62Å
106C96.4Very high96.5Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-81.7121.5172.5-168.10000109.6D104 G121 C407 S408D104-C106 PolarHBondContact O-N 3.04Å; C106-G121 PolarHBondContact SG-O 2.89Å; C106-G121 VanDerWaalsContact SG-O 3.33Å; C106-C407 HydrophobicContact CB-CB 3.49Å; C106-C407 VanDerWaalsContact CB-CB 3.49Å; C106-C407 WeakPolarHBondContact CB-SG 3.32Å; C106-C407 WeakPolarHBondContact SG-CB 3.33Å; C106-C407 CovalentContact SG-SG 2.05Å; C106-C407 PolarHBondContact SG-SG 2.72Å; C106-S408 PolarHBondContact N-O 3.09Å
107R96.1Very high96.6Very high57 Ų5739.5 Ų39.522%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-121.5-14.9-171.2-70.5-59.7-175.285.1-2.5115.5V105 G121 Q167 D409V105-R107 HydrophobicContact CB-CG 4.43Å; V105-R107 HydrophobicContact CG2-CG 3.89Å; R107-G121 PolarHBondContact N-O 2.9Å; R107-Q167 HydrophobicContact CB-CG 4.33Å; R107-Q167 HydrophobicContact CG-CG 4.16Å; R107-Q167 VanDerWaalsContact NH1-OE1 3.09Å; R107-D409 IonicContact CZ-OD1 3.74Å; R107-D409 IonicContact NE-OD1 3.69Å; R107-D409 PolarHBondContact NE-OD1 2.78Å; R107-D409 IonicContact NH2-OD1 3.12Å; R107-D409 PolarHBondContact NH2-OD1 3.15Å; R107-D409 IonicContact NH2-OD2 2.81Å
108A97.4Very high96.9Very high4 Ų438.4 Ų38.43%0.03320%0.204CC..EExtended strand (participates in β ladder)trans-135.2141.4178.400000110.2T120 G121 V168 L171A108-T120 CarbonylContact O-C 3.55Å; A108-T120 VanDerWaalsContact O-CA 3.32Å; A108-T120 WeakPolarHBondContact O-CA 2.98Å; A108-G121 PolarHBondContact N-O 3.05Å; A108-G121 VanDerWaalsContact N-O 3.12Å; A108-G121 PolarHBondContact O-N 3Å; A108-V168 HydrophobicContact CB-CG1 4.48Å; A108-L171 HydrophobicContact CB-CD1 3.87Å; A108-L171 HydrophobicContact CB-CG 3.9Å
109C98Very high97.1Very high14 Ų1437.2 Ų37.210%0.09520%0.199CC..EExtended strand (participates in β ladder)trans-144.5148.4165.657.50000109.8A119 T120 A394 I405C109-A119 CarbonylContact C-O 3.58Å; C109-A119 WeakPolarHBondContact CA-O 3.43Å; C109-T120 HydrophobicContact CB-CG2 4.42Å; C109-A394 VanDerWaalsContact SG-CB 3.59Å; C109-I405 HydrophobicContact CB-CD1 4.49Å; C109-I405 HydrophobicContact CB-CG2 3.68Å
110A98Very high97.2Very high12 Ų1233.7 Ų33.710%0.09918%0.181CC..EExtended strand (participates in β ladder)trans-151.8144.4176.600000110.1V118 A119 L171 F173A110-V118 CarbonylContact O-C 3.54Å; A110-V118 WeakPolarHBondContact O-CA 3.43Å; A110-A119 PolarHBondContact N-O 3.08Å; A110-A119 PolarHBondContact O-N 2.82Å; A110-L171 HydrophobicContact CB-CB 4.04Å; A110-L171 WeakPolarHBondContact CB-O 3.48Å; A110-F173 HydrophobicContact CB-CD2 4.45Å; A110-F173 WeakPolarHBondContact O-CE2 3.3Å
111F98.3Very high97.3Very high24 Ų2433.3 Ų33.311%0.10518%0.178CC..EExtended strand (participates in β ladder)trans-91.7152.8164.6-76.9-96.3000109.7L117 V118 I132 F173 A396 I405 Y415F111-L117 WeakPolarHBondContact CA-O 3.11Å; F111-V118 HydrophobicContact CD1-CG2 3.32Å; F111-V118 HydrophobicContact CD2-CG2 4.27Å; F111-V118 HydrophobicContact CE1-CG2 3.23Å; F111-V118 HydrophobicContact CE2-CG2 4.16Å; F111-V118 HydrophobicContact CG-CG2 3.88Å; F111-V118 HydrophobicContact CZ-CG2 3.67Å; F111-I132 HydrophobicContact CD1-CD1 3.98Å; F111-I132 HydrophobicContact CE1-CD1 3.62Å; F111-F173 VanDerWaalsContact C-CD2 3.49Å; F111-F173 WeakPolarHBondContact O-CD2 3.37Å; F111-A396 HydrophobicContact CD2-CB 4.03Å; F111-A396 HydrophobicContact CE2-CB 4.3Å; F111-A396 WeakPolarHBondContact CE2-O 3.29Å; F111-I405 HydrophobicContact CD2-CG2 4.35Å; F111-I405 HydrophobicContact CE2-CB 4.28Å; F111-I405 HydrophobicContact CE2-CG2 3.7Å; F111-I405 HydrophobicContact CZ-CB 4.5Å; F111-I405 HydrophobicContact CZ-CG2 4.35Å; F111-Y415 AromaticContact CE1-CE2 3.78Å; F111-Y415 HydrophobicContact CE1-CE2 3.78Å; F111-Y415 HydrophobicContact CZ-CD2 4.29Å; F111-Y415 AromaticContact CZ-CE2 3.74Å; F111-Y415 HydrophobicContact CZ-CE2 3.74Å
112N97.8Very high97.4Very high18 Ų1830.6 Ų30.610%0.09616%0.156CC..  trans-77169.5159.966.5-15.7000111D114 G115 S116 L117 F173 P399N112-D114 PolarHBondContact ND2-OD1 2.82Å; N112-D114 PolarHBondContact O-N 2.93Å; N112-D114 PolarHBondContact OD1-OD1 3.43Å; N112-G115 PolarHBondContact O-N 3.17Å; N112-G115 WeakPolarHBondContact OD1-CA 3.45Å; N112-G115 PolarHBondContact OD1-N 2.77Å; N112-S116 PolarHBondContact ND2-OG 3.15Å; N112-S116 PolarHBondContact OD1-N 3.27Å; N112-L117 HydrophobicContact CB-CB 4.34Å; N112-L117 PolarHBondContact N-O 2.8Å; N112-L117 VanDerWaalsContact N-O 3.1Å; N112-L117 WeakPolarHBondContact ND2-CB 3.35Å; N112-L117 WeakPolarHBondContact ND2-CG 3.26Å; N112-L117 PolarHBondContact ND2-N 2.67Å; N112-L117 PolarHBondContact OD1-N 3.07Å; N112-L117 PolarHBondContact OD1-O 3.12Å; N112-F173 HydrophobicContact CB-CB 3.92Å; N112-F173 HydrophobicContact CB-CD1 4.02Å; N112-F173 HydrophobicContact CB-CD2 3.82Å; N112-F173 HydrophobicContact CB-CE1 4.47Å; N112-F173 HydrophobicContact CB-CE2 4.26Å; N112-F173 HydrophobicContact CB-CG 3.66Å; N112-P399 WeakPolarHBondContact O-CG 3.43Å
113N95.7Very high97.4Very high102 Ų10230.5 Ų30.555%0.54516%0.159SC..THydrogen-bonded Turntrans-64.3-33.9-168.7-75.1-2000114.9G115 P175 P399N113-G115 VanDerWaalsContact C-N 3.32Å; N113-P175 VanDerWaalsContact ND2-CA 3.32Å; N113-P175 WeakPolarHBondContact ND2-CA 3.42Å; N113-P175 VanDerWaalsContact ND2-CB 3.28Å; N113-P175 WeakPolarHBondContact ND2-CB 3.22Å; N113-P399 VanDerWaalsContact O-CG 3.27Å; N113-P399 WeakPolarHBondContact O-CG 3.31Å
114D95.6Very high97.5Very high92 Ų9224.1 Ų24.149%0.49213%0.133SC..THydrogen-bonded Turntrans-87.6-3.1176.266.2-12.6000112.2N112 S116 V400N112-D114 PolarHBondContact ND2-OD1 2.82Å; N112-D114 PolarHBondContact O-N 2.93Å; N112-D114 PolarHBondContact OD1-OD1 3.43Å; D114-S116 PolarHBondContact O-N 3.08Å; D114-S116 PolarHBondContact OD1-N 3.16Å; D114-S116 VanDerWaalsContact OD1-N 3.17Å; D114-S116 PolarHBondContact OD1-OG 3.33Å; D114-S116 WeakPolarHBondContact OD2-CB 3.43Å; D114-S116 PolarHBondContact OD2-OG 2.75Å; D114-V400 WeakPolarHBondContact O-CG2 3.31Å
115G95.9Very high97.5Very high1 Ų122 Ų221%0.0112%0.124CC..SBendtrans63.722.6-179.300000114.9N112 N113 I132 Q401N112-G115 PolarHBondContact O-N 3.17Å; N112-G115 WeakPolarHBondContact OD1-CA 3.45Å; N112-G115 PolarHBondContact OD1-N 2.77Å; N113-G115 VanDerWaalsContact C-N 3.32Å; G115-I132 WeakPolarHBondContact O-CD1 3.46Å; G115-Q401 PolarHBondContact O-NE2 3.15Å
116S96.5Very high97.5Very high33 Ų3321.2 Ų21.223%0.23112%0.119CC..SBendtrans-83.5-23.8175.2610000113.2N112 D114 I132N112-S116 PolarHBondContact ND2-OG 3.15Å; N112-S116 PolarHBondContact OD1-N 3.27Å; D114-S116 PolarHBondContact O-N 3.08Å; D114-S116 PolarHBondContact OD1-N 3.16Å; D114-S116 VanDerWaalsContact OD1-N 3.17Å; D114-S116 PolarHBondContact OD1-OG 3.33Å; D114-S116 WeakPolarHBondContact OD2-CB 3.43Å; D114-S116 PolarHBondContact OD2-OG 2.75Å; S116-I132 WeakPolarHBondContact O-CB 3.28Å; S116-I132 PolarHBondContact O-N 3.3Å
117L97.9Very high97.6Very high20 Ų2021.3 Ų21.311%0.10512%0.119CC..EExtended strand (participates in β ladder)trans-125.8150-179.2-56.8177.1000111.9F111 N112 I129 V130 D131 I158 F173 F194F111-L117 WeakPolarHBondContact CA-O 3.11Å; N112-L117 HydrophobicContact CB-CB 4.34Å; N112-L117 PolarHBondContact N-O 2.8Å; N112-L117 VanDerWaalsContact N-O 3.1Å; N112-L117 WeakPolarHBondContact ND2-CB 3.35Å; N112-L117 WeakPolarHBondContact ND2-CG 3.26Å; N112-L117 PolarHBondContact ND2-N 2.67Å; N112-L117 PolarHBondContact OD1-N 3.07Å; N112-L117 PolarHBondContact OD1-O 3.12Å; L117-I129 HydrophobicContact CB-CG2 4.37Å; L117-I129 HydrophobicContact CD1-CG2 4.33Å; L117-I129 HydrophobicContact CD2-CG2 4.46Å; L117-V130 CarbonylContact C-O 3.46Å; L117-V130 VanDerWaalsContact CA-O 3.29Å; L117-V130 WeakPolarHBondContact CA-O 3.38Å; L117-D131 HydrophobicContact CD2-CB 4.05Å; L117-I158 HydrophobicContact CD2-CD1 3.88Å; L117-F173 HydrophobicContact CB-CE1 4.24Å; L117-F173 HydrophobicContact CB-CZ 3.99Å; L117-F173 HydrophobicContact CD1-CE1 4.25Å; L117-F194 HydrophobicContact CD1-CE2 3.67Å; L117-F194 HydrophobicContact CD1-CZ 4.07Å
118V98.3Very high97.7Very high2 Ų220.2 Ų20.21%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-129.2133.5170175.80000110.1A110 F111 T120 I129 V130 I132 I405 Y415A110-V118 CarbonylContact O-C 3.54Å; A110-V118 WeakPolarHBondContact O-CA 3.43Å; F111-V118 HydrophobicContact CD1-CG2 3.32Å; F111-V118 HydrophobicContact CD2-CG2 4.27Å; F111-V118 HydrophobicContact CE1-CG2 3.23Å; F111-V118 HydrophobicContact CE2-CG2 4.16Å; F111-V118 HydrophobicContact CG-CG2 3.88Å; F111-V118 HydrophobicContact CZ-CG2 3.67Å; V118-T120 HydrophobicContact CG1-CG2 4.3Å; V118-I129 CarbonylContact O-C 3.49Å; V118-I129 WeakPolarHBondContact O-CA 3.49Å; V118-V130 PolarHBondContact N-O 3.29Å; V118-V130 PolarHBondContact O-N 2.85Å; V118-I132 HydrophobicContact CG2-CD1 3.66Å; V118-I132 HydrophobicContact CG2-CG1 4.24Å; V118-I405 HydrophobicContact CG1-CB 4.36Å; V118-I405 HydrophobicContact CG1-CD1 3.33Å; V118-I405 HydrophobicContact CG1-CG1 4.4Å; V118-I405 HydrophobicContact CG1-CG2 4.05Å; V118-Y415 HydrophobicContact CG2-CE2 4.42Å
119A98.5Very high97.7Very high0 Ų020 Ų200%011%0.114CC..EExtended strand (participates in β ladder)trans-103.7141.7169.900000110.6C109 A110 K128 L171 F173 L180C109-A119 CarbonylContact C-O 3.58Å; C109-A119 WeakPolarHBondContact CA-O 3.43Å; A110-A119 PolarHBondContact N-O 3.08Å; A110-A119 PolarHBondContact O-N 2.82Å; A119-K128 CarbonylContact C-O 3.47Å; A119-K128 WeakPolarHBondContact CA-O 2.87Å; A119-L171 HydrophobicContact CB-CD1 3.87Å; A119-F173 HydrophobicContact CB-CE2 3.57Å; A119-F173 HydrophobicContact CB-CZ 3.57Å; A119-L180 HydrophobicContact CB-CD1 3.85Å; A119-L180 HydrophobicContact CB-CD2 3.87Å
120T98.5Very high97.6Very high0 Ų019.6 Ų19.60%011%0.111CC..EExtended strand (participates in β ladder)trans-128.9138.1173.262.50000110.5H102 A108 C109 V118 I127 K128 I405 A413H102-T120 PolarHBondContact NE2-OG1 2.88Å; A108-T120 CarbonylContact O-C 3.55Å; A108-T120 VanDerWaalsContact O-CA 3.32Å; A108-T120 WeakPolarHBondContact O-CA 2.98Å; C109-T120 HydrophobicContact CB-CG2 4.42Å; V118-T120 HydrophobicContact CG1-CG2 4.3Å; T120-I127 CarbonylContact O-C 3.59Å; T120-I127 VanDerWaalsContact O-CA 3.24Å; T120-I127 WeakPolarHBondContact O-CA 3.47Å; T120-K128 PolarHBondContact N-O 2.93Å; T120-K128 PolarHBondContact O-N 3.19Å; T120-I405 HydrophobicContact CG2-CD1 3.45Å; T120-I405 VanDerWaalsContact CG2-CD1 3.45Å; T120-A413 HydrophobicContact CG2-CB 3.66Å
121G98.2Very high97.6Very high0 Ų020.5 Ų20.50%011%0.114CC..EExtended strand (participates in β ladder)trans-126.4145.7-178.200000111.4C106 R107 A108C106-G121 PolarHBondContact SG-O 2.89Å; C106-G121 VanDerWaalsContact SG-O 3.33Å; R107-G121 PolarHBondContact N-O 2.9Å; A108-G121 PolarHBondContact N-O 3.05Å; A108-G121 VanDerWaalsContact N-O 3.12Å; A108-G121 PolarHBondContact O-N 3Å
122S98.2Very high97.4Very high0 Ų019.4 Ų19.40%011%0.11CC..EExtended strand (participates in β ladder)trans-132.6166-170.6169.10000113.7H102 D104 V105 D124 A125 S126 V168H102-S122 WeakPolarHBondContact CB-OG 3.46Å; H102-S122 VanDerWaalsContact CG-CB 3.44Å; H102-S122 VanDerWaalsContact ND1-CB 3.32Å; H102-S122 WeakPolarHBondContact ND1-CB 3.04Å; D104-S122 VanDerWaalsContact C-OG 3.27Å; D104-S122 PolarHBondContact O-OG 3.16Å; V105-S122 CarbonylContact O-C 3.57Å; V105-S122 WeakPolarHBondContact O-CA 3.29Å; V105-S122 WeakPolarHBondContact O-CB 3.34Å; V105-S122 PolarHBondContact O-OG 3.18Å; S122-D124 WeakPolarHBondContact CB-OD1 3.12Å; S122-D124 PolarHBondContact O-N 2.79Å; S122-D124 PolarHBondContact OG-N 2.89Å; S122-D124 PolarHBondContact OG-OD1 3.26Å; S122-A125 PolarHBondContact O-N 3Å; S122-S126 PolarHBondContact N-O 3.33Å; S122-V168 PolarHBondContact O-N 3.46Å
123G98.1Very high97.2Very high12 Ų1223.7 Ų23.712%0.12413%0.133CC..THydrogen-bonded Turntrans-58.4-22.8166.200000114.2V105 A125V105-G123 PolarHBondContact O-N 3.07Å; G123-A125 PolarHBondContact O-N 2.78Å; G123-A125 VanDerWaalsContact O-N 3.13Å
124D98.1Very high97.1Very high41 Ų4122.7 Ų22.722%0.21912%0.121CC..THydrogen-bonded Turntrans-79.212.3176.670.83.2000113.4H102 K103 D104 S122 S126H102-D124 IonicContact ND1-OD1 3.78Å; K103-D124 HydrophobicContact CB-CB 4.02Å; K103-D124 WeakPolarHBondContact CB-OD2 3.3Å; K103-D124 PolarHBondContact N-OD2 3.4Å; D104-D124 HydrophobicContact CB-CB 3.81Å; S122-D124 WeakPolarHBondContact CB-OD1 3.12Å; S122-D124 PolarHBondContact O-N 2.79Å; S122-D124 PolarHBondContact OG-N 2.89Å; S122-D124 PolarHBondContact OG-OD1 3.26Å; D124-S126 PolarHBondContact O-N 3.48Å; D124-S126 VanDerWaalsContact O-N 3.08Å; D124-S126 WeakPolarHBondContact OD1-CA 3.46Å; D124-S126 WeakPolarHBondContact OD1-CB 3.39Å; D124-S126 PolarHBondContact OD1-N 2.94Å; D124-S126 PolarHBondContact OD1-OG 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.26Å
125A98.1Very high96.9Very high13 Ų1318.5 Ų18.511%0.10710%0.099CC..SBendtrans60.39.4-176.200000115.3S122 G123 H164 D166S122-A125 PolarHBondContact O-N 3Å; G123-A125 PolarHBondContact O-N 2.78Å; G123-A125 VanDerWaalsContact O-N 3.13Å; A125-H164 HydrophobicContact CB-CB 3.99Å; A125-H164 WeakPolarHBondContact CB-O 3.37Å; A125-D166 WeakPolarHBondContact CB-O 3.12Å
126S97.9Very high96.6Very high1 Ų120.3 Ų20.31%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-89.7149177.2760000112.3H102 S122 D124 L161H102-S126 PolarHBondContact ND1-OG 3.34Å; S122-S126 PolarHBondContact N-O 3.33Å; D124-S126 PolarHBondContact O-N 3.48Å; D124-S126 VanDerWaalsContact O-N 3.08Å; D124-S126 WeakPolarHBondContact OD1-CA 3.46Å; D124-S126 WeakPolarHBondContact OD1-CB 3.39Å; D124-S126 PolarHBondContact OD1-N 2.94Å; D124-S126 PolarHBondContact OD1-OG 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.26Å; S126-L161 WeakPolarHBondContact CA-O 3.38Å
127I98.5Very high96.1Very high2 Ų220.8 Ų20.81%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-123.1133.9171.1-55.1164000108T120 T160 L161 V168 L171 L180 S182 F192T120-I127 CarbonylContact O-C 3.59Å; T120-I127 VanDerWaalsContact O-CA 3.24Å; T120-I127 WeakPolarHBondContact O-CA 3.47Å; I127-T160 CarbonylContact O-C 3.53Å; I127-T160 VanDerWaalsContact O-CA 3.29Å; I127-T160 WeakPolarHBondContact O-CA 3.21Å; I127-L161 HydrophobicContact CB-CB 4.17Å; I127-L161 HydrophobicContact CB-CD1 4.21Å; I127-L161 HydrophobicContact CG2-CD1 4.21Å; I127-L161 PolarHBondContact N-O 2.74Å; I127-L161 VanDerWaalsContact N-O 3.09Å; I127-L161 PolarHBondContact O-N 2.66Å; I127-V168 HydrophobicContact CD1-CG1 4.32Å; I127-V168 HydrophobicContact CD1-CG2 4.19Å; I127-V168 HydrophobicContact CG1-CB 4.46Å; I127-V168 HydrophobicContact CG1-CG1 4.18Å; I127-V168 HydrophobicContact CG1-CG2 3.86Å; I127-L171 HydrophobicContact CD1-CD2 3.91Å; I127-L171 HydrophobicContact CG1-CD2 4.15Å; I127-L171 HydrophobicContact CG2-CD1 4.22Å; I127-L171 HydrophobicContact CG2-CD2 3.88Å; I127-L180 HydrophobicContact CG2-CD2 3.65Å; I127-S182 WeakPolarHBondContact CD1-OG 3.34Å; I127-F192 HydrophobicContact CD1-CE2 4.04Å; I127-F192 HydrophobicContact CD1-CZ 4.4Å
128K97.8Very high94.7Very high33 Ų3323.1 Ų23.114%0.14312%0.121CC..EExtended strand (participates in β ladder)trans-114.7140173.7-66.8-178-177.1-1650109.7T100 A101 A119 T120 V157 R159 T160T100-K128 VanDerWaalsContact OG1-CD 3.27Å; T100-K128 WeakPolarHBondContact OG1-CD 3.23Å; T100-K128 PolarHBondContact OG1-NZ 3.04Å; T100-K128 VanDerWaalsContact OG1-NZ 3.16Å; A101-K128 PolarHBondContact O-NZ 3.09Å; A119-K128 CarbonylContact C-O 3.47Å; A119-K128 WeakPolarHBondContact CA-O 2.87Å; T120-K128 PolarHBondContact N-O 2.93Å; T120-K128 PolarHBondContact O-N 3.19Å; K128-V157 HydrophobicContact CB-CG1 4.05Å; K128-V157 HydrophobicContact CD-CG1 4.2Å; K128-V157 HydrophobicContact CD-CG2 4.49Å; K128-V157 HydrophobicContact CG-CG1 4.19Å; K128-R159 WeakPolarHBondContact CA-O 3.16Å; K128-T160 HydrophobicContact CG-CG2 3.97Å
129I97.8Very high92.8Very high0 Ų026.3 Ų26.30%014%0.136CC..EExtended strand (participates in β ladder)trans-111.8127.4169.7-53.7178000107.3L117 V118 V157 I158 R159 L161 F173 L180 F194L117-I129 HydrophobicContact CB-CG2 4.37Å; L117-I129 HydrophobicContact CD1-CG2 4.33Å; L117-I129 HydrophobicContact CD2-CG2 4.46Å; V118-I129 CarbonylContact O-C 3.49Å; V118-I129 WeakPolarHBondContact O-CA 3.49Å; I129-V157 CarbonylContact O-C 3.54Å; I129-V157 WeakPolarHBondContact O-CA 3.21Å; I129-I158 HydrophobicContact CB-CG1 4.19Å; I129-I158 HydrophobicContact CG2-CD1 3.96Å; I129-I158 HydrophobicContact CG2-CG1 3.99Å; I129-I158 WeakPolarHBondContact O-CG1 3.42Å; I129-I158 PolarHBondContact O-N 3.45Å; I129-R159 HydrophobicContact CB-CB 4.03Å; I129-R159 HydrophobicContact CB-CG 4.45Å; I129-R159 HydrophobicContact CD1-CB 4.2Å; I129-R159 HydrophobicContact CD1-CG 4.34Å; I129-R159 HydrophobicContact CG1-CB 4.22Å; I129-R159 PolarHBondContact N-O 3.31Å; I129-R159 PolarHBondContact O-N 2.84Å; I129-L161 HydrophobicContact CD1-CD1 4.37Å; I129-F173 HydrophobicContact CG2-CE1 4.34Å; I129-F173 HydrophobicContact CG2-CZ 4.23Å; I129-L180 HydrophobicContact CD1-CD2 3.9Å; I129-L180 HydrophobicContact CG1-CD2 4.01Å; I129-F194 HydrophobicContact CD1-CB 3.6Å; I129-F194 HydrophobicContact CD1-CD1 3.77Å; I129-F194 HydrophobicContact CD1-CD2 4.17Å; I129-F194 HydrophobicContact CD1-CE1 4.46Å; I129-F194 HydrophobicContact CD1-CG 3.59Å
130V97Very high90.7Very high5 Ų533.6 Ų33.63%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-115.1132.5-176.8-173.90000108.7F98 L117 V118 V135 P156 V157F98-V130 HydrophobicContact CD1-CG1 4.17Å; F98-V130 HydrophobicContact CE1-CG1 3.71Å; F98-V130 HydrophobicContact CE1-CG2 4.19Å; F98-V130 HydrophobicContact CZ-CG1 4.37Å; L117-V130 CarbonylContact C-O 3.46Å; L117-V130 VanDerWaalsContact CA-O 3.29Å; L117-V130 WeakPolarHBondContact CA-O 3.38Å; V118-V130 PolarHBondContact N-O 3.29Å; V118-V130 PolarHBondContact O-N 2.85Å; V130-V135 HydrophobicContact CG1-CG2 3.72Å; V130-P156 CarbonylContact C-O 3.48Å; V130-P156 VanDerWaalsContact CA-O 3.28Å; V130-P156 WeakPolarHBondContact CA-O 3.19Å; V130-P156 HydrophobicContact CG1-CB 4.05Å; V130-V157 HydrophobicContact CG2-CG2 4.15Å
131D96Very high88.3Confident31 Ų3139.8 Ų39.817%0.16620%0.2CC..EExtended strand (participates in β ladder)trans-93.5121.6173.9176-27.3000109.1L117 D133 R134 V135 P156 I158L117-D131 HydrophobicContact CD2-CB 4.05Å; D131-D133 PolarHBondContact OD1-N 2.75Å; D131-R134 HydrophobicContact CB-CB 4.24Å; D131-R134 HydrophobicContact CB-CG 4.04Å; D131-R134 PolarHBondContact O-N 2.88Å; D131-R134 PolarHBondContact OD1-N 2.82Å; D131-R134 IonicContact OD2-NE 3.11Å; D131-R134 PolarHBondContact OD2-NE 3.32Å; D131-R134 VanDerWaalsContact OD2-NE 3.11Å; D131-V135 PolarHBondContact O-N 2.58Å; D131-P156 PolarHBondContact N-O 3.43Å; D131-I158 HydrophobicContact CB-CD1 4.31Å; D131-I158 HydrophobicContact CB-CG1 4.38Å; D131-I158 HydrophobicContact CB-CG2 3.57Å
132I95.4Very high85.8Confident1 Ų146.4 Ų46.41%0.00523%0.229CC..Hα-helixtrans-75.4-33.4-173-67.1170.1000111.5F111 G115 S116 V118 R134 V135 L136 Y415F111-I132 HydrophobicContact CD1-CD1 3.98Å; F111-I132 HydrophobicContact CE1-CD1 3.62Å; G115-I132 WeakPolarHBondContact O-CD1 3.46Å; S116-I132 WeakPolarHBondContact O-CB 3.28Å; S116-I132 PolarHBondContact O-N 3.3Å; V118-I132 HydrophobicContact CG2-CD1 3.66Å; V118-I132 HydrophobicContact CG2-CG1 4.24Å; I132-R134 PolarHBondContact O-N 3.48Å; I132-V135 WeakPolarHBondContact O-CA 3.48Å; I132-V135 WeakPolarHBondContact O-CB 3.48Å; I132-V135 PolarHBondContact O-N 3.25Å; I132-L136 HydrophobicContact CG2-CD1 3.95Å; I132-L136 HydrophobicContact CG2-CG 4.21Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 2.8Å; I132-Y415 HydrophobicContact CD1-CE2 3.84Å; I132-Y415 HydrophobicContact CG1-CE2 4.13Å; I132-Y415 HydrophobicContact CG2-CE1 4.36Å; I132-Y415 WeakPolarHBondContact CG2-OH 3.36Å
133D93.4Very high83.4Confident109 Ų10950.7 Ų50.758%0.58326%0.259SS*.Hα-helixtrans-63.1-38176.7-69.6-20.9000110D131 L136 S137D131-D133 PolarHBondContact OD1-N 2.75Å; D133-L136 PolarHBondContact O-N 3.47Å; D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 3.11Å; D133-S137 PolarHBondContact O-OG 2.75Å
134R93.4Very high80.8Confident80 Ų8057.1 Ų57.130%0.30229%0.29SS..Hα-helixtrans-67.7-33.2172.6-64.4-178.9-169.3-138.3-17.5113.5D131 I132 S137 K138 E153 H155 P156D131-R134 HydrophobicContact CB-CB 4.24Å; D131-R134 HydrophobicContact CB-CG 4.04Å; D131-R134 PolarHBondContact O-N 2.88Å; D131-R134 PolarHBondContact OD1-N 2.82Å; D131-R134 IonicContact OD2-NE 3.11Å; D131-R134 PolarHBondContact OD2-NE 3.32Å; D131-R134 VanDerWaalsContact OD2-NE 3.11Å; I132-R134 PolarHBondContact O-N 3.48Å; R134-S137 WeakPolarHBondContact CA-OG 3.43Å; R134-S137 PolarHBondContact O-OG 3.28Å; R134-K138 VanDerWaalsContact O-CB 3.3Å; R134-K138 WeakPolarHBondContact O-CB 3.06Å; R134-K138 PolarHBondContact O-N 2.83Å; R134-E153 PolarHBondContact NH1-O 3.24Å; R134-H155 WeakPolarHBondContact CD-O 3.26Å; R134-H155 PolarHBondContact NH1-O 3.23Å; R134-P156 HydrophobicContact CB-CB 4.18Å; R134-P156 HydrophobicContact CB-CG 4.37Å
135V92Very high78.3Confident4 Ų460.2 Ų60.22%0.02431%0.311CS..Hα-helixtrans-61.8-50.3172.4166.20000109.7I97 F98 V130 D131 I132 K138 P156 Y415I97-V135 HydrophobicContact CD1-CG1 3.59Å; I97-V135 HydrophobicContact CG1-CG1 3.9Å; F98-V135 HydrophobicContact CB-CB 4.36Å; F98-V135 HydrophobicContact CB-CG1 3.49Å; F98-V135 VanDerWaalsContact CB-CG1 3.49Å; F98-V135 HydrophobicContact CB-CG2 3.95Å; F98-V135 HydrophobicContact CD1-CG2 3.81Å; F98-V135 HydrophobicContact CD2-CG2 4.17Å; F98-V135 HydrophobicContact CE1-CG2 4.36Å; F98-V135 HydrophobicContact CG-CG1 4.17Å; F98-V135 HydrophobicContact CG-CG2 3.7Å; V130-V135 HydrophobicContact CG1-CG2 3.72Å; D131-V135 PolarHBondContact O-N 2.58Å; I132-V135 WeakPolarHBondContact O-CA 3.48Å; I132-V135 WeakPolarHBondContact O-CB 3.48Å; I132-V135 PolarHBondContact O-N 3.25Å; V135-K138 PolarHBondContact O-N 3.44Å; V135-P156 HydrophobicContact CG2-CB 3.57Å; V135-P156 HydrophobicContact CG2-CG 4.2Å; V135-Y415 HydrophobicContact CG1-CD1 4.2Å
136L89Confident75.5Confident39 Ų3967.9 Ų67.920%0.20434%0.344CS..Hα-helixtrans-69.2-35.8-177-64.6172.1000112I97 I132 D133 Y417I97-L136 HydrophobicContact CD1-CD2 3.51Å; I132-L136 HydrophobicContact CG2-CD1 3.95Å; I132-L136 HydrophobicContact CG2-CG 4.21Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 2.8Å; D133-L136 PolarHBondContact O-N 3.47Å; L136-Y417 HydrophobicContact CD2-CD1 3.83Å; L136-Y417 HydrophobicContact CD2-CE1 3.89Å; L136-Y417 HydrophobicContact CD2-CG 4.4Å
137S85.3Confident72.9Confident43 Ų4373.6 Ų73.630%0.30138%0.379SS..Hα-helixtrans-71-32.7178.174.90000113D133 R134 E139 H140 M141D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 3.11Å; D133-S137 PolarHBondContact O-OG 2.75Å; R134-S137 WeakPolarHBondContact CA-OG 3.43Å; R134-S137 PolarHBondContact O-OG 3.28Å; S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 PolarHBondContact O-N 2.9Å; S137-H140 PolarHBondContact O-N 3.1Å; S137-H140 VanDerWaalsContact O-N 3.08Å; S137-M141 PolarHBondContact O-N 3.07Å
138K69.5Low70.2Confident70 Ų7077.7 Ų77.730%0.30440%0.404SS..Hα-helixtrans-65-30.5-179.9-178.2168.7174.71720112.2R134 V135 H140 M141 F142 P156R134-K138 VanDerWaalsContact O-CB 3.3Å; R134-K138 WeakPolarHBondContact O-CB 3.06Å; R134-K138 PolarHBondContact O-N 2.83Å; V135-K138 PolarHBondContact O-N 3.44Å; K138-H140 VanDerWaalsContact C-N 3.31Å; K138-H140 PolarHBondContact O-N 3.27Å; K138-M141 PolarHBondContact O-N 3.47Å; K138-F142 HydrophobicContact CD-CE2 3.93Å; K138-F142 HydrophobicContact CG-CD2 3.87Å; K138-F142 HydrophobicContact CG-CE2 3.44Å; K138-F142 VanDerWaalsContact CG-CE2 3.44Å; K138-F142 HydrophobicContact CG-CZ 4.36Å; K138-F142 VanDerWaalsContact O-CD2 3.23Å; K138-F142 WeakPolarHBondContact O-CD2 3.45Å; K138-F142 PolarHBondContact O-N 3.39Å; K138-P156 HydrophobicContact CD-CG 3.96Å
139E58.6Low67.8Low68 Ų6885.3 Ų85.332%0.31844%0.44SS..Hα-helixtrans-65.2-33.1171.8-70.3-161.6143.400112.9I97 S137 K419I97-E139 VanDerWaalsContact CB-OE1 3.28Å; I97-E139 WeakPolarHBondContact CB-OE1 3.3Å; I97-E139 VanDerWaalsContact CG2-OE1 3.31Å; I97-E139 WeakPolarHBondContact CG2-OE1 3.31Å; S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 PolarHBondContact O-N 2.9Å; E139-K419 WeakPolarHBondContact OE2-CE 3.31Å; E139-K419 IonicContact OE2-NZ 2.63Å; E139-K419 PolarHBondContact OE2-NZ 2.99Å
140H54.3Low65.4Low154 Ų15488.4 Ų88.471%0.71347%0.466SS*.Hα-helixtrans-74.9-23.6175.4-73.3-74.6000113.4S137 K138S137-H140 PolarHBondContact O-N 3.1Å; S137-H140 VanDerWaalsContact O-N 3.08Å; K138-H140 VanDerWaalsContact C-N 3.31Å; K138-H140 PolarHBondContact O-N 3.27Å
141M47.5Very low63.2Low129 Ų12991.5 Ų91.564%0.63548%0.482SS*.Hα-helixtrans-86.4-21.7-175.6-73.6-94.7167.300114S137 K138 S143S137-M141 PolarHBondContact O-N 3.07Å; K138-M141 PolarHBondContact O-N 3.47Å; M141-S143 PolarHBondContact O-N 3.46Å
142F47Very low61.2Low139 Ų13993.9 Ų93.961%0.6151%0.506SS*.THydrogen-bonded Turntrans-79.112179.7-81.1-63.1000114.9K138K138-F142 HydrophobicContact CD-CE2 3.93Å; K138-F142 HydrophobicContact CG-CD2 3.87Å; K138-F142 HydrophobicContact CG-CE2 3.44Å; K138-F142 VanDerWaalsContact CG-CE2 3.44Å; K138-F142 HydrophobicContact CG-CZ 4.36Å; K138-F142 VanDerWaalsContact O-CD2 3.23Å; K138-F142 WeakPolarHBondContact O-CD2 3.45Å; K138-F142 PolarHBondContact O-N 3.39Å
143S47.4Very low59.7Low90 Ų90100.9 Ų100.963%0.62954%0.539SS*.THydrogen-bonded Turntrans-76.8-25.116965.60000113.8M141M141-S143 PolarHBondContact O-N 3.46Å
144D43.5Very low58.8Low147 Ų147101.3 Ų101.379%0.78654%0.536SS*.THydrogen-bonded Turntrans-157.411.8-170.1-87.2-48.5000120.8
145V44.7Very low58.5Low106 Ų106101.6 Ų101.664%0.64254%0.54SS*.  trans-136.8125.2-175.2-164.10000115.7
146E38.8Very low58.6Low175 Ų175101.4 Ų101.482%0.81854%0.539SS*.  trans-59.2145.3171-71.3-176.6153.100112.7T148E146-T148 PolarHBondContact O-N 2.89Å
147V44.6Very low58.9Low121 Ų121100.5 Ų100.573%0.73354%0.535SS*.  trans-68.199.6-172.7-176.60000111.5
148T40.8Very low59.3Low87 Ų87100.2 Ų100.253%0.53453%0.53SS..  trans-95.1160165.359.40000111E146 A150 N151E146-T148 PolarHBondContact O-N 2.89Å; T148-A150 PolarHBondContact O-N 3.49Å; T148-N151 VanDerWaalsContact O-CB 3.31Å; T148-N151 WeakPolarHBondContact O-CB 3.23Å; T148-N151 PolarHBondContact O-N 2.89Å
149Q48.5Very low60.5Low193 Ų19399 Ų9990%0.90252%0.524SS*.G310 helixtrans-56.1-19.5-179.4-74.4174.3-9.900114.1N151 A152Q149-N151 PolarHBondContact O-N 2.94Å; Q149-A152 PolarHBondContact O-N 2.75Å
150A46.8Very low62.3Low66 Ų6697.7 Ų97.755%0.54552%0.52SS..G310 helixtrans-61.9-21.3171.300000113.3T148 A152T148-A150 PolarHBondContact O-N 3.49Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.96Å
151N50.8Low64.3Low70 Ų7090.4 Ų90.437%0.37449%0.486SS..G310 helixtrans-73.5-11.3179.4-70.2-2.4000114T148 Q149 E153 F154T148-N151 VanDerWaalsContact O-CB 3.31Å; T148-N151 WeakPolarHBondContact O-CB 3.23Å; T148-N151 PolarHBondContact O-N 2.89Å; Q149-N151 PolarHBondContact O-N 2.94Å; N151-E153 PolarHBondContact O-N 3.28Å; N151-F154 PolarHBondContact O-N 2.85Å
152A55Low66.6Low80 Ų8090.1 Ų90.166%0.66148%0.479SS*.G310 helixtrans-64.2-31.4176.500000112.1Q149 A150 F154 H155Q149-A152 PolarHBondContact O-N 2.75Å; A150-A152 VanDerWaalsContact C-N 3.25Å; A150-A152 PolarHBondContact O-N 2.96Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 3.17Å; A152-H155 PolarHBondContact O-N 3.4Å
153E62.2Low69Low149 Ų14984.3 Ų84.370%0.69645%0.454SS*.G310 helixtrans-69.9-22178.3-68.6-169.6162.800113.2R134 N151R134-E153 PolarHBondContact NH1-O 3.24Å; N151-E153 PolarHBondContact O-N 3.28Å
154F74.9Confident71.4Confident117 Ų11780.7 Ų80.751%0.51343%0.427SS..G310 helixtrans-101.414-179.1-74.3-84.2000113.7N151 A152 P156N151-F154 PolarHBondContact O-N 2.85Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 3.17Å; F154-P156 WeakPolarHBondContact O-CD 3.31Å
155H88Confident74Confident86 Ų8679.8 Ų79.840%0.39843%0.427SS..  trans-66.6129176.2-165.4-88.8000110.5R134 A152 V157R134-H155 WeakPolarHBondContact CD-O 3.26Å; R134-H155 PolarHBondContact NH1-O 3.23Å; A152-H155 PolarHBondContact O-N 3.4Å; H155-V157 VanDerWaalsContact C-N 3.31Å; H155-V157 WeakPolarHBondContact ND1-CB 3.41Å; H155-V157 PolarHBondContact ND1-N 3.1Å; H155-V157 VanDerWaalsContact ND1-N 3.15Å; H155-V157 PolarHBondContact ND1-O 3.13Å; H155-V157 PolarHBondContact O-N 3.36Å
156P93.6Very high76.6Confident0 Ų077.5 Ų77.50%041%0.411CS..SBendtrans-64.4-32.2-177.6-24.533.6000114.2F98 V130 D131 R134 V135 K138 F154 I158F98-P156 HydrophobicContact CD2-CB 4.41Å; F98-P156 HydrophobicContact CD2-CG 4.22Å; F98-P156 HydrophobicContact CE2-CB 3.89Å; F98-P156 HydrophobicContact CE2-CG 3.81Å; F98-P156 HydrophobicContact CZ-CB 3.96Å; F98-P156 HydrophobicContact CZ-CG 4.37Å; V130-P156 CarbonylContact C-O 3.48Å; V130-P156 VanDerWaalsContact CA-O 3.28Å; V130-P156 WeakPolarHBondContact CA-O 3.19Å; V130-P156 HydrophobicContact CG1-CB 4.05Å; D131-P156 PolarHBondContact N-O 3.43Å; R134-P156 HydrophobicContact CB-CB 4.18Å; R134-P156 HydrophobicContact CB-CG 4.37Å; V135-P156 HydrophobicContact CG2-CB 3.57Å; V135-P156 HydrophobicContact CG2-CG 4.2Å; K138-P156 HydrophobicContact CD-CG 3.96Å; F154-P156 WeakPolarHBondContact O-CD 3.31Å; P156-I158 PolarHBondContact O-N 3.29Å; P156-I158 VanDerWaalsContact O-N 3.14Å
157V94.6Very high79.4Confident21 Ų2170.4 Ų70.413%0.12738%0.378CS..EExtended strand (participates in β ladder)trans-73.5104.9169.2-175.70000108.3F98 K128 I129 V130 H155 R159F98-V157 HydrophobicContact CZ-CG2 4.08Å; K128-V157 HydrophobicContact CB-CG1 4.05Å; K128-V157 HydrophobicContact CD-CG1 4.2Å; K128-V157 HydrophobicContact CD-CG2 4.49Å; K128-V157 HydrophobicContact CG-CG1 4.19Å; I129-V157 CarbonylContact O-C 3.54Å; I129-V157 WeakPolarHBondContact O-CA 3.21Å; V130-V157 HydrophobicContact CG2-CG2 4.15Å; H155-V157 VanDerWaalsContact C-N 3.31Å; H155-V157 WeakPolarHBondContact ND1-CB 3.41Å; H155-V157 PolarHBondContact ND1-N 3.1Å; H155-V157 VanDerWaalsContact ND1-N 3.15Å; H155-V157 PolarHBondContact ND1-O 3.13Å; H155-V157 PolarHBondContact O-N 3.36Å; V157-R159 VanDerWaalsContact CG1-O 3.32Å; V157-R159 WeakPolarHBondContact CG1-O 3.41Å
158I94.2Very high82Confident36 Ų3664.7 Ų64.719%0.18534%0.343CS..EExtended strand (participates in β ladder)trans-88.3-24.2-177.156.5162.5000113.1L117 I129 D131 P156L117-I158 HydrophobicContact CD2-CD1 3.88Å; I129-I158 HydrophobicContact CB-CG1 4.19Å; I129-I158 HydrophobicContact CG2-CD1 3.96Å; I129-I158 HydrophobicContact CG2-CG1 3.99Å; I129-I158 WeakPolarHBondContact O-CG1 3.42Å; I129-I158 PolarHBondContact O-N 3.45Å; D131-I158 HydrophobicContact CB-CD1 4.31Å; D131-I158 HydrophobicContact CB-CG1 4.38Å; D131-I158 HydrophobicContact CB-CG2 3.57Å; P156-I158 PolarHBondContact O-N 3.29Å; P156-I158 VanDerWaalsContact O-N 3.14Å
159R95.4Very high84.7Confident46 Ų4662.1 Ų62.117%0.17433%0.326CS..EExtended strand (participates in β ladder)trans-141.2151178-57-70.7180-95.40.3111.2K128 I129 V157 F194 A195 K196K128-R159 WeakPolarHBondContact CA-O 3.16Å; I129-R159 HydrophobicContact CB-CB 4.03Å; I129-R159 HydrophobicContact CB-CG 4.45Å; I129-R159 HydrophobicContact CD1-CB 4.2Å; I129-R159 HydrophobicContact CD1-CG 4.34Å; I129-R159 HydrophobicContact CG1-CB 4.22Å; I129-R159 PolarHBondContact N-O 3.31Å; I129-R159 PolarHBondContact O-N 2.84Å; V157-R159 VanDerWaalsContact CG1-O 3.32Å; V157-R159 WeakPolarHBondContact CG1-O 3.41Å; R159-F194 HydrophobicContact CG-CB 4.27Å; R159-F194 PolarHBondContact NE-O 2.73Å; R159-F194 PolarHBondContact NH2-O 2.88Å; R159-A195 PolarHBondContact NH2-O 3.18Å; R159-A195 VanDerWaalsContact NH2-O 3.16Å; R159-K196 PolarHBondContact NE-O 3.41Å
160T95.7Very high87.1Confident40 Ų4053.6 Ų53.625%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-139.7118.3165.6-49.90000109.5I127 K128 Y162I127-T160 CarbonylContact O-C 3.53Å; I127-T160 VanDerWaalsContact O-CA 3.29Å; I127-T160 WeakPolarHBondContact O-CA 3.21Å; K128-T160 HydrophobicContact CG-CG2 3.97Å; T160-Y162 HydrophobicContact CG2-CD2 4.21Å; T160-Y162 HydrophobicContact CG2-CE1 4.26Å; T160-Y162 HydrophobicContact CG2-CE2 3.37Å; T160-Y162 VanDerWaalsContact CG2-CZ 3.4Å; T160-Y162 WeakPolarHBondContact CG2-OH 3.43Å
161L97.4Very high89.5Confident1 Ų151.2 Ų51.21%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-103.6139-172.8-46.8169.3000109.3S126 I127 I129 L180 F192 V199S126-L161 WeakPolarHBondContact CA-O 3.38Å; I127-L161 HydrophobicContact CB-CB 4.17Å; I127-L161 HydrophobicContact CB-CD1 4.21Å; I127-L161 HydrophobicContact CG2-CD1 4.21Å; I127-L161 PolarHBondContact N-O 2.74Å; I127-L161 VanDerWaalsContact N-O 3.09Å; I127-L161 PolarHBondContact O-N 2.66Å; I129-L161 HydrophobicContact CD1-CD1 4.37Å; L161-L180 HydrophobicContact CD1-CD2 4.11Å; L161-F192 HydrophobicContact CB-CD1 4.13Å; L161-F192 HydrophobicContact CB-CE1 4Å; L161-F192 HydrophobicContact CD1-CB 3.81Å; L161-F192 HydrophobicContact CD1-CD1 3.81Å; L161-F192 HydrophobicContact CD1-CD2 3.99Å; L161-F192 HydrophobicContact CD1-CE1 4.34Å; L161-F192 HydrophobicContact CD1-CG 3.6Å; L161-F192 HydrophobicContact CD2-CD1 4.05Å; L161-F192 HydrophobicContact CD2-CG 4.49Å; L161-F192 HydrophobicContact CG-CD1 4.21Å; L161-F192 HydrophobicContact CG-CG 4.48Å; L161-V199 WeakPolarHBondContact CD2-O 3.33Å
162Y94.8Very high91.8Very high122 Ų12248.5 Ų48.548%0.47825%0.253SS..EExtended strand (participates in β ladder)trans-142.289.2-175.5-63.7-82000109.1T160 K200T160-Y162 HydrophobicContact CG2-CD2 4.21Å; T160-Y162 HydrophobicContact CG2-CE1 4.26Å; T160-Y162 HydrophobicContact CG2-CE2 3.37Å; T160-Y162 VanDerWaalsContact CG2-CZ 3.4Å; T160-Y162 WeakPolarHBondContact CG2-OH 3.43Å; Y162-K200 CarbonylContact C-O 3.54Å; Y162-K200 PolarHBondContact N-O 3.41Å
163D97.7Very high93.9Very high18 Ų1845.3 Ų45.310%0.09622%0.224CC..  trans-147-22.2179.9-164.243.5000114.2K190 F192 R201 A202D163-K190 HydrophobicContact CB-CD 4.13Å; D163-K190 WeakPolarHBondContact O-CE 3.47Å; D163-K190 WeakPolarHBondContact OD2-CD 2.97Å; D163-K190 WeakPolarHBondContact OD2-CE 3.35Å; D163-K190 IonicContact OD2-NZ 2.87Å; D163-K190 PolarHBondContact OD2-NZ 3.39Å; D163-F192 HydrophobicContact CB-CE1 3.88Å; D163-F192 HydrophobicContact CB-CZ 4.02Å; D163-R201 HydrophobicContact CB-CB 4.36Å; D163-R201 HydrophobicContact CB-CG 4.46Å; D163-R201 IonicContact OD1-CZ 2.79Å; D163-R201 VanDerWaalsContact OD1-CZ 3.31Å; D163-R201 IonicContact OD1-NE 3.86Å; D163-R201 PolarHBondContact OD1-NE 3.28Å; D163-R201 IonicContact OD1-NH2 2.79Å; D163-R201 PolarHBondContact OD1-NH2 3.42Å; D163-A202 WeakPolarHBondContact OD2-CB 3.26Å; D163-A202 PolarHBondContact OD2-N 2.77Å; D163-A202 VanDerWaalsContact OD2-N 3.08Å
164H98.3Very high95.6Very high13 Ų1339 Ų396%0.0620%0.195CC..  trans-68.8155.2166.2-79.1-63.9000110.8A125 V168 S182 S184 D186 T188A125-H164 HydrophobicContact CB-CB 3.99Å; A125-H164 WeakPolarHBondContact CB-O 3.37Å; H164-V168 HydrophobicContact CB-CG2 4.28Å; H164-S182 PolarHBondContact CD2-OG 2.76Å; H164-S182 PolarHBondContact NE2-OG 3.33Å; H164-S184 WeakPolarHBondContact CE1-CB 3.29Å; H164-S184 WeakPolarHBondContact ND1-CB 3.35Å; H164-D186 WeakPolarHBondContact CA-OD2 3.44Å; H164-D186 WeakPolarHBondContact CB-OD2 3.19Å; H164-D186 IonicContact CE1-OD1 2.81Å; H164-D186 IonicContact CE1-OD2 2.77Å; H164-D186 IonicContact CG-OD2 3.77Å; H164-D186 IonicContact ND1-OD1 3.5Å; H164-D186 PolarHBondContact ND1-OD1 2.99Å; H164-D186 IonicContact ND1-OD2 3.71Å; H164-D186 PolarHBondContact ND1-OD2 3.05Å; H164-T188 PolarHBondContact CE1-OG1 3.05Å; H164-T188 PolarHBondContact ND1-OG1 2.98Å
165V97.9Very high96.6Very high129 Ų12934.8 Ų34.878%0.78218%0.179SC*.SBendtrans-110.4-8.5177.9-62.20000113.1D186V165-D186 HydrophobicContact CG2-CB 3.49Å; V165-D186 VanDerWaalsContact CG2-CB 3.49Å; V165-D186 PolarHBondContact N-OD2 2.96Å
166D98.3Very high96.9Very high57 Ų5738.2 Ų38.231%0.30519%0.189SC..SBendtrans-141.3175.8174.5-157.5-15000109.6A125 V168 S184 K185 D186A125-D166 WeakPolarHBondContact CB-O 3.12Å; D166-V168 PolarHBondContact O-N 2.94Å; D166-S184 PolarHBondContact O-OG 2.72Å; D166-K185 HydrophobicContact CB-CB 4.17Å; D166-K185 WeakPolarHBondContact OD2-CD 3.22Å; D166-K185 WeakPolarHBondContact OD2-CG 3.36Å; D166-K185 IonicContact OD2-NZ 2.79Å; D166-D186 HydrophobicContact CB-CB 3.92Å
167Q98.2Very high97.1Very high27 Ų2743.5 Ų43.513%0.12621%0.213CC..  trans-46.4127.8-175.3176.9163.498.100114.4V105 R107 N169 S184 K185V105-Q167 VanDerWaalsContact CG2-NE2 3.26Å; R107-Q167 HydrophobicContact CB-CG 4.33Å; R107-Q167 HydrophobicContact CG-CG 4.16Å; R107-Q167 VanDerWaalsContact NH1-OE1 3.09Å; Q167-N169 PolarHBondContact O-N 2.93Å; Q167-N169 PolarHBondContact OE1-OD1 2.89Å; Q167-S184 CarbonylContact O-C 3.52Å; Q167-S184 VanDerWaalsContact O-CA 3.26Å; Q167-S184 WeakPolarHBondContact O-CA 3.44Å; Q167-S184 WeakPolarHBondContact O-CB 3.44Å; Q167-S184 PolarHBondContact O-OG 3.44Å; Q167-K185 HydrophobicContact CB-CB 4.3Å; Q167-K185 PolarHBondContact O-N 3.09Å
168V98.6Very high97.1Very high0 Ų047.8 Ų47.80%023%0.232CC..EExtended strand (participates in β ladder)trans-79.5116.3171-1770000109.6A108 S122 I127 H164 D166 L171A108-V168 HydrophobicContact CB-CG1 4.48Å; S122-V168 PolarHBondContact O-N 3.46Å; I127-V168 HydrophobicContact CD1-CG1 4.32Å; I127-V168 HydrophobicContact CD1-CG2 4.19Å; I127-V168 HydrophobicContact CG1-CB 4.46Å; I127-V168 HydrophobicContact CG1-CG1 4.18Å; I127-V168 HydrophobicContact CG1-CG2 3.86Å; H164-V168 HydrophobicContact CB-CG2 4.28Å; D166-V168 PolarHBondContact O-N 2.94Å; V168-L171 HydrophobicContact CG1-CD2 3.91Å; V168-L171 HydrophobicContact CG1-CG 4.14Å
169N98Very high97.3Very high34 Ų3446.7 Ų46.718%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-95.9-27.7-174-72-33.5000113.5Q167 G183 K185 V212Q167-N169 PolarHBondContact O-N 2.93Å; Q167-N169 PolarHBondContact OE1-OD1 2.89Å; N169-G183 PolarHBondContact N-O 2.85Å; N169-K185 PolarHBondContact ND2-N 3.1Å; N169-V212 VanDerWaalsContact CB-O 3.25Å; N169-V212 WeakPolarHBondContact CB-O 3.45Å; N169-V212 PolarHBondContact ND2-O 2.75Å
170C97.8Very high97.4Very high14 Ų1444.5 Ų44.510%0.09522%0.218CC..EExtended strand (participates in β ladder)trans-154.4154.7-178.249.90000111.6S182 G183 R213 C214 M215C170-S182 WeakPolarHBondContact O-CA 3.38Å; C170-G183 PolarHBondContact N-O 3.35Å; C170-G183 PolarHBondContact O-N 3.04Å; C170-R213 VanDerWaalsContact SG-C 3.55Å; C170-C214 VanDerWaalsContact SG-CA 3.53Å; C170-C214 PolarHBondContact SG-N 3.46Å; C170-C214 VanDerWaalsContact SG-N 3.44Å; C170-M215 HydrophobicContact CB-CE 4.48Å; C170-M215 WeakPolarHBondContact SG-CE 3.24Å
171L98.5Very high97.5Very high15 Ų1542.6 Ų42.68%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-140.6142.9-174.9-69.6169.3000108.8A108 A110 A119 I127 V168 L180 A181 S182A108-L171 HydrophobicContact CB-CD1 3.87Å; A108-L171 HydrophobicContact CB-CG 3.9Å; A110-L171 HydrophobicContact CB-CB 4.04Å; A110-L171 WeakPolarHBondContact CB-O 3.48Å; A119-L171 HydrophobicContact CB-CD1 3.87Å; I127-L171 HydrophobicContact CD1-CD2 3.91Å; I127-L171 HydrophobicContact CG1-CD2 4.15Å; I127-L171 HydrophobicContact CG2-CD1 4.22Å; I127-L171 HydrophobicContact CG2-CD2 3.88Å; V168-L171 HydrophobicContact CG1-CD2 3.91Å; V168-L171 HydrophobicContact CG1-CG 4.14Å; L171-L180 HydrophobicContact CD2-CD2 4.22Å; L171-L180 HydrophobicContact CD2-CG 4.43Å; L171-A181 WeakPolarHBondContact CA-O 3.47Å; L171-S182 VanDerWaalsContact CD2-CB 3.49Å
172A98.4Very high97.6Very high13 Ų1342.5 Ų42.511%0.10721%0.206CC..EExtended strand (participates in β ladder)trans-145.8128.6172.800000110.1A181 M215 F217A172-A181 PolarHBondContact N-O 2.94Å; A172-A181 PolarHBondContact O-N 3.06Å; A172-M215 HydrophobicContact CB-CG 3.98Å; A172-M215 HydrophobicContact CB-SD 4.27Å; A172-F217 HydrophobicContact CB-CD2 3.87Å; A172-F217 HydrophobicContact CB-CE2 4.1Å
173F98.5Very high97.8Very high13 Ų1336.7 Ų36.76%0.05718%0.183CC..EExtended strand (participates in β ladder)trans-77.5141169.4-73.9-87.1000109.8A110 F111 N112 L117 A119 I129 L180 F194 F217A110-F173 HydrophobicContact CB-CD2 4.45Å; A110-F173 WeakPolarHBondContact O-CE2 3.3Å; F111-F173 VanDerWaalsContact C-CD2 3.49Å; F111-F173 WeakPolarHBondContact O-CD2 3.37Å; N112-F173 HydrophobicContact CB-CB 3.92Å; N112-F173 HydrophobicContact CB-CD1 4.02Å; N112-F173 HydrophobicContact CB-CD2 3.82Å; N112-F173 HydrophobicContact CB-CE1 4.47Å; N112-F173 HydrophobicContact CB-CE2 4.26Å; N112-F173 HydrophobicContact CB-CG 3.66Å; L117-F173 HydrophobicContact CB-CE1 4.24Å; L117-F173 HydrophobicContact CB-CZ 3.99Å; L117-F173 HydrophobicContact CD1-CE1 4.25Å; A119-F173 HydrophobicContact CB-CE2 3.57Å; A119-F173 HydrophobicContact CB-CZ 3.57Å; I129-F173 HydrophobicContact CG2-CE1 4.34Å; I129-F173 HydrophobicContact CG2-CZ 4.23Å; F173-L180 HydrophobicContact CD1-CD1 3.86Å; F173-L180 HydrophobicContact CD2-CD1 4.01Å; F173-L180 HydrophobicContact CE1-CD1 3.94Å; F173-L180 HydrophobicContact CE2-CD1 4.1Å; F173-L180 HydrophobicContact CG-CD1 3.92Å; F173-L180 HydrophobicContact CZ-CD1 4.07Å; F173-F194 AromaticContact CD1-CE1 3.74Å; F173-F194 HydrophobicContact CD1-CE1 3.74Å; F173-F194 AromaticContact CD1-CZ 3.79Å; F173-F194 HydrophobicContact CD1-CZ 3.79Å; F173-F194 AromaticContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE1 3.85Å; F173-F194 AromaticContact CE1-CZ 3.81Å; F173-F194 HydrophobicContact CE1-CZ 3.81Å; F173-F217 WeakPolarHBondContact O-CD2 3.15Å
174H98.2Very high97.8Very high16 Ų1635.9 Ų35.97%0.07418%0.179CC..  trans-65.2139.9168.7-172.3-70.8000109.5R176 E177 I179 F217 G221H174-R176 PolarHBondContact ND1-N 3.36Å; H174-R176 PolarHBondContact O-N 2.99Å; H174-R176 VanDerWaalsContact O-N 3.1Å; H174-E177 PolarHBondContact ND1-N 2.67Å; H174-E177 VanDerWaalsContact ND1-N 3.16Å; H174-I179 HydrophobicContact CB-CB 3.78Å; H174-I179 HydrophobicContact CB-CG2 4.35Å; H174-I179 WeakPolarHBondContact CB-O 3.39Å; H174-I179 PolarHBondContact N-O 2.77Å; H174-F217 HydrophobicContact CB-CE2 4.27Å; H174-F217 HydrophobicContact CB-CZ 4.23Å; H174-F217 AromaticContact CD2-CE1 3.82Å; H174-G221 PolarHBondContact NE2-O 2.87Å; H174-G221 VanDerWaalsContact NE2-O 3.09Å
175P97Very high97.8Very high29 Ų2940.2 Ų40.219%0.18820%0.198CC..SBendtrans-71-6-17126.7-38000116.3N113 P219N113-P175 VanDerWaalsContact ND2-CA 3.32Å; N113-P175 WeakPolarHBondContact ND2-CA 3.42Å; N113-P175 VanDerWaalsContact ND2-CB 3.28Å; N113-P175 WeakPolarHBondContact ND2-CB 3.22Å; P175-P219 WeakPolarHBondContact CG-O 3.38Å
176R94.6Very high97.9Very high158 Ų15835.6 Ų35.660%0.59617%0.168SC*.SBendtrans-143.4-47.1-167.2-66.2-170.3-70.6171.6-0.6111.9H174 L220 D222H174-R176 PolarHBondContact ND1-N 3.36Å; H174-R176 PolarHBondContact O-N 2.99Å; H174-R176 VanDerWaalsContact O-N 3.1Å; R176-L220 PolarHBondContact NE-O 3.16Å; R176-L220 PolarHBondContact NH2-O 2.56Å; R176-D222 IonicContact NH2-OD1 3.95Å; R176-D222 PolarHBondContact NH2-OD1 3.11Å
177E96Very high97.9Very high111 Ų11134.4 Ų34.452%0.51916%0.164SC..SBendtrans-92.3158.5-179.8-56-170.3177.500112H174 I179H174-E177 PolarHBondContact ND1-N 2.67Å; H174-E177 VanDerWaalsContact ND1-N 3.16Å; E177-I179 HydrophobicContact CB-CD1 3.96Å; E177-I179 HydrophobicContact CB-CG1 4.12Å; E177-I179 PolarHBondContact O-N 2.83Å; E177-I179 WeakPolarHBondContact OE2-CD1 3.37Å
178Q96.2Very high97.9Very high111 Ų11133.9 Ų33.952%0.51916%0.163SC..SBendtrans-77.955.8174.4-70.7-174.481.500111.6F194 A195Q178-F194 HydrophobicContact CB-CD2 4.08Å; Q178-F194 HydrophobicContact CB-CE1 4.38Å; Q178-F194 HydrophobicContact CB-CE2 3.7Å; Q178-F194 HydrophobicContact CB-CZ 3.87Å; Q178-F194 HydrophobicContact CG-CE2 3.93Å; Q178-F194 HydrophobicContact CG-CZ 4.29Å; Q178-F194 WeakPolarHBondContact O-CD1 3.22Å; Q178-F194 WeakPolarHBondContact O-CE1 3.31Å; Q178-F194 PolarHBondContact O-N 2.89Å; Q178-A195 HydrophobicContact CB-CB 4.13Å
179I97.2Very high97.9Very high13 Ų1333.9 Ų33.97%0.06716%0.163CC..EExtended strand (participates in β ladder)trans-115.3133.3179.2-65.4168.8000109.4H174 E177 F191 F192 F203H174-I179 HydrophobicContact CB-CB 3.78Å; H174-I179 HydrophobicContact CB-CG2 4.35Å; H174-I179 WeakPolarHBondContact CB-O 3.39Å; H174-I179 PolarHBondContact N-O 2.77Å; E177-I179 HydrophobicContact CB-CD1 3.96Å; E177-I179 HydrophobicContact CB-CG1 4.12Å; E177-I179 PolarHBondContact O-N 2.83Å; E177-I179 WeakPolarHBondContact OE2-CD1 3.37Å; I179-F191 HydrophobicContact CG2-CB 4.17Å; I179-F191 HydrophobicContact CG2-CD1 4.06Å; I179-F192 CarbonylContact C-O 3.51Å; I179-F192 VanDerWaalsContact CA-O 3.29Å; I179-F192 WeakPolarHBondContact CA-O 3.4Å; I179-F203 HydrophobicContact CD1-CE1 4.4Å; I179-F203 HydrophobicContact CD1-CZ 3.89Å; I179-F203 HydrophobicContact CG1-CE1 4.19Å; I179-F203 HydrophobicContact CG1-CZ 4.19Å; I179-F203 HydrophobicContact CG2-CE1 4.15Å; I179-F203 HydrophobicContact CG2-CZ 4.26Å
180L98.4Very high97.9Very high0 Ų033.3 Ų33.30%016%0.159CC..EExtended strand (participates in β ladder)trans-111.9126.1170-178.170.3000108.8A119 I127 I129 L161 L171 F173 F191 F192 F194A119-L180 HydrophobicContact CB-CD1 3.85Å; A119-L180 HydrophobicContact CB-CD2 3.87Å; I127-L180 HydrophobicContact CG2-CD2 3.65Å; I129-L180 HydrophobicContact CD1-CD2 3.9Å; I129-L180 HydrophobicContact CG1-CD2 4.01Å; L161-L180 HydrophobicContact CD1-CD2 4.11Å; L171-L180 HydrophobicContact CD2-CD2 4.22Å; L171-L180 HydrophobicContact CD2-CG 4.43Å; F173-L180 HydrophobicContact CD1-CD1 3.86Å; F173-L180 HydrophobicContact CD2-CD1 4.01Å; F173-L180 HydrophobicContact CE1-CD1 3.94Å; F173-L180 HydrophobicContact CE2-CD1 4.1Å; F173-L180 HydrophobicContact CG-CD1 3.92Å; F173-L180 HydrophobicContact CZ-CD1 4.07Å; L180-F191 CarbonylContact O-C 3.5Å; L180-F191 WeakPolarHBondContact O-CA 3.4Å; L180-F192 PolarHBondContact N-O 3.03Å; L180-F192 PolarHBondContact O-N 2.86Å; L180-F194 HydrophobicContact CB-CD1 3.84Å; L180-F194 HydrophobicContact CB-CE1 3.98Å
181A98.5Very high97.9Very high0 Ų032.7 Ų32.70%015%0.154CC..EExtended strand (participates in β ladder)trans-94.4141.9168.100000110.4L171 A172 L189 K190 F191 M215 F217 I224L171-A181 WeakPolarHBondContact CA-O 3.47Å; A172-A181 PolarHBondContact N-O 2.94Å; A172-A181 PolarHBondContact O-N 3.06Å; A181-L189 HydrophobicContact CB-CD1 4.29Å; A181-K190 CarbonylContact C-O 3.43Å; A181-K190 VanDerWaalsContact CA-O 3.29Å; A181-K190 WeakPolarHBondContact CA-O 3.36Å; A181-F191 HydrophobicContact CB-CD1 4.06Å; A181-F191 HydrophobicContact CB-CE1 4.08Å; A181-M215 HydrophobicContact CB-SD 3.89Å; A181-F217 HydrophobicContact CB-CE2 3.58Å; A181-F217 HydrophobicContact CB-CZ 3.66Å; A181-I224 HydrophobicContact CB-CD1 3.84Å
182S98.6Very high97.9Very high0 Ų032 Ų320%015%0.151CC..EExtended strand (participates in β ladder)trans-137.6141.6176.164.60000112.1I127 H164 C170 L171 L189 K190 F192 M215I127-S182 WeakPolarHBondContact CD1-OG 3.34Å; H164-S182 PolarHBondContact CD2-OG 2.76Å; H164-S182 PolarHBondContact NE2-OG 3.33Å; C170-S182 WeakPolarHBondContact O-CA 3.38Å; L171-S182 VanDerWaalsContact CD2-CB 3.49Å; S182-L189 CarbonylContact O-C 3.58Å; S182-L189 VanDerWaalsContact O-CA 3.27Å; S182-L189 WeakPolarHBondContact O-CA 3.18Å; S182-K190 PolarHBondContact N-O 3.03Å; S182-K190 PolarHBondContact O-N 2.88Å; S182-F192 VanDerWaalsContact OG-CE2 3.29Å; S182-F192 WeakPolarHBondContact OG-CE2 3.39Å; S182-M215 VanDerWaalsContact C-CE 3.49Å
183G98.6Very high97.8Very high0 Ų033.9 Ų33.90%016%0.159CC..EExtended strand (participates in β ladder)trans-121.2132.7-179.500000109.5N169 C170N169-G183 PolarHBondContact N-O 2.85Å; C170-G183 PolarHBondContact N-O 3.35Å; C170-G183 PolarHBondContact O-N 3.04Å
184S98.6Very high97.6Very high0 Ų033.6 Ų33.60%016%0.158CC..EExtended strand (participates in β ladder)trans-126.3164.5-172.3170.10000112.3H164 D166 Q167 D186 C187 T188 V212H164-S184 WeakPolarHBondContact CE1-CB 3.29Å; H164-S184 WeakPolarHBondContact ND1-CB 3.35Å; D166-S184 PolarHBondContact O-OG 2.72Å; Q167-S184 CarbonylContact O-C 3.52Å; Q167-S184 VanDerWaalsContact O-CA 3.26Å; Q167-S184 WeakPolarHBondContact O-CA 3.44Å; Q167-S184 WeakPolarHBondContact O-CB 3.44Å; Q167-S184 PolarHBondContact O-OG 3.44Å; S184-D186 WeakPolarHBondContact CB-OD1 3.24Å; S184-D186 PolarHBondContact O-N 2.79Å; S184-D186 PolarHBondContact OG-N 2.89Å; S184-D186 VanDerWaalsContact OG-N 3.09Å; S184-D186 PolarHBondContact OG-OD1 2.81Å; S184-D186 PolarHBondContact OG-OD2 2.84Å; S184-C187 PolarHBondContact O-N 2.81Å; S184-T188 PolarHBondContact N-O 3.48Å; S184-T188 VanDerWaalsContact N-O 3.12Å; S184-V212 PolarHBondContact O-N 3.09Å
185K98.3Very high97.4Very high105 Ų10535 Ų3546%0.45717%0.172SC..THydrogen-bonded Turntrans-65.2-16.9168.1-168.5178169.8-153.60113D166 Q167 N169 C187 P211D166-K185 HydrophobicContact CB-CB 4.17Å; D166-K185 WeakPolarHBondContact OD2-CD 3.22Å; D166-K185 WeakPolarHBondContact OD2-CG 3.36Å; D166-K185 IonicContact OD2-NZ 2.79Å; Q167-K185 HydrophobicContact CB-CB 4.3Å; Q167-K185 PolarHBondContact O-N 3.09Å; N169-K185 PolarHBondContact ND2-N 3.1Å; K185-C187 PolarHBondContact O-N 3.21Å; K185-P211 HydrophobicContact CG-CB 4.36Å; K185-P211 HydrophobicContact CG-CG 4.37Å
186D98.4Very high97Very high31 Ų3139.9 Ų39.917%0.16619%0.191CC..THydrogen-bonded Turntrans-72.812.3173.368.313.9000114.7H164 V165 D166 S184 T188H164-D186 WeakPolarHBondContact CA-OD2 3.44Å; H164-D186 WeakPolarHBondContact CB-OD2 3.19Å; H164-D186 IonicContact CE1-OD1 2.81Å; H164-D186 IonicContact CE1-OD2 2.77Å; H164-D186 IonicContact CG-OD2 3.77Å; H164-D186 IonicContact ND1-OD1 3.5Å; H164-D186 PolarHBondContact ND1-OD1 2.99Å; H164-D186 IonicContact ND1-OD2 3.71Å; H164-D186 PolarHBondContact ND1-OD2 3.05Å; V165-D186 HydrophobicContact CG2-CB 3.49Å; V165-D186 VanDerWaalsContact CG2-CB 3.49Å; V165-D186 PolarHBondContact N-OD2 2.96Å; D166-D186 HydrophobicContact CB-CB 3.92Å; S184-D186 WeakPolarHBondContact CB-OD1 3.24Å; S184-D186 PolarHBondContact O-N 2.79Å; S184-D186 PolarHBondContact OG-N 2.89Å; S184-D186 VanDerWaalsContact OG-N 3.09Å; S184-D186 PolarHBondContact OG-OD1 2.81Å; S184-D186 PolarHBondContact OG-OD2 2.84Å; D186-T188 PolarHBondContact O-N 3.41Å; D186-T188 VanDerWaalsContact OD1-CB 3.32Å; D186-T188 WeakPolarHBondContact OD1-CB 3.33Å; D186-T188 PolarHBondContact OD1-N 3.17Å; D186-T188 PolarHBondContact OD1-OG1 3.13Å; D186-T188 PolarHBondContact OD2-OG1 2.9Å
187C98.4Very high96.4Very high32 Ų3237 Ų3722%0.21619%0.194CC..SBendtrans5832.6-176.8-53.30000113.1S184 K185 E208S184-C187 PolarHBondContact O-N 2.81Å; K185-C187 PolarHBondContact O-N 3.21Å; C187-E208 HydrophobicContact CB-CB 4.45Å; C187-E208 WeakPolarHBondContact CB-O 3.47Å; C187-E208 WeakPolarHBondContact O-CA 3.46Å; C187-E208 WeakPolarHBondContact O-CB 3.37Å; C187-E208 PolarHBondContact O-N 3.09Å
188T98.5Very high95.8Very high16 Ų1636.3 Ų36.310%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-124.7146.5173.974.60000113.1H164 S184 D186 T205 I206 L207H164-T188 PolarHBondContact CE1-OG1 3.05Å; H164-T188 PolarHBondContact ND1-OG1 2.98Å; S184-T188 PolarHBondContact N-O 3.48Å; S184-T188 VanDerWaalsContact N-O 3.12Å; D186-T188 PolarHBondContact O-N 3.41Å; D186-T188 VanDerWaalsContact OD1-CB 3.32Å; D186-T188 WeakPolarHBondContact OD1-CB 3.33Å; D186-T188 PolarHBondContact OD1-N 3.17Å; D186-T188 PolarHBondContact OD1-OG1 3.13Å; D186-T188 PolarHBondContact OD2-OG1 2.9Å; T188-T205 HydrophobicContact CG2-CG2 4.28Å; T188-I206 WeakPolarHBondContact CA-O 3.45Å; T188-L207 HydrophobicContact CG2-CD2 3.83Å
189L98.4Very high95.4Very high1 Ų132.5 Ų32.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-106.1126.7161.8173.179000107.7A181 S182 F191 T205 I206 M215 I224 V226A181-L189 HydrophobicContact CB-CD1 4.29Å; S182-L189 CarbonylContact O-C 3.58Å; S182-L189 VanDerWaalsContact O-CA 3.27Å; S182-L189 WeakPolarHBondContact O-CA 3.18Å; L189-F191 HydrophobicContact CD2-CE2 3.7Å; L189-F191 HydrophobicContact CD2-CZ 3.6Å; L189-F191 HydrophobicContact CG-CE2 3.93Å; L189-F191 HydrophobicContact CG-CZ 4.15Å; L189-T205 CarbonylContact O-C 3.5Å; L189-T205 VanDerWaalsContact O-CA 3.29Å; L189-T205 WeakPolarHBondContact O-CA 3.4Å; L189-I206 HydrophobicContact CB-CB 4.18Å; L189-I206 HydrophobicContact CD2-CB 4.4Å; L189-I206 HydrophobicContact CD2-CD1 3.72Å; L189-I206 HydrophobicContact CD2-CG1 4.45Å; L189-I206 PolarHBondContact N-O 3.19Å; L189-I206 PolarHBondContact O-N 2.77Å; L189-M215 HydrophobicContact CD1-CE 3.23Å; L189-M215 HydrophobicContact CD1-SD 3.44Å; L189-M215 WeakPolarHBondContact CD1-SD 3.14Å; L189-I224 HydrophobicContact CD1-CD1 4.25Å; L189-I224 HydrophobicContact CD2-CD1 4.33Å; L189-I224 HydrophobicContact CD2-CG2 4.13Å; L189-V226 HydrophobicContact CD2-CG2 4.05Å
190K98.5Very high95.1Very high21 Ų2138 Ų389%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-121.9140.8-176.7-75.7-176.4179.5-74.90111.1D163 A181 S182 F192 A202 T205D163-K190 HydrophobicContact CB-CD 4.13Å; D163-K190 WeakPolarHBondContact O-CE 3.47Å; D163-K190 WeakPolarHBondContact OD2-CD 2.97Å; D163-K190 WeakPolarHBondContact OD2-CE 3.35Å; D163-K190 IonicContact OD2-NZ 2.87Å; D163-K190 PolarHBondContact OD2-NZ 3.39Å; A181-K190 CarbonylContact C-O 3.43Å; A181-K190 VanDerWaalsContact CA-O 3.29Å; A181-K190 WeakPolarHBondContact CA-O 3.36Å; S182-K190 PolarHBondContact N-O 3.03Å; S182-K190 PolarHBondContact O-N 2.88Å; K190-F192 HydrophobicContact CB-CD2 4.4Å; K190-F192 HydrophobicContact CB-CE2 3.51Å; K190-F192 HydrophobicContact CB-CZ 3.85Å; K190-F192 HydrophobicContact CD-CZ 4.07Å; K190-A202 HydrophobicContact CB-CB 3.71Å; K190-A202 HydrophobicContact CD-CB 4.08Å; K190-A202 HydrophobicContact CG-CB 3.91Å; K190-T205 HydrophobicContact CG-CG2 4.12Å; K190-T205 PolarHBondContact NZ-OG1 3.18Å
191F98.3Very high94.9Very high1 Ų146.3 Ų46.30%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-114.2130.7176.3-57.9-101.7000110.3I179 L180 A181 L189 A202 F203 K204 I206 F217 I224 V238I179-F191 HydrophobicContact CG2-CB 4.17Å; I179-F191 HydrophobicContact CG2-CD1 4.06Å; L180-F191 CarbonylContact O-C 3.5Å; L180-F191 WeakPolarHBondContact O-CA 3.4Å; A181-F191 HydrophobicContact CB-CD1 4.06Å; A181-F191 HydrophobicContact CB-CE1 4.08Å; L189-F191 HydrophobicContact CD2-CE2 3.7Å; L189-F191 HydrophobicContact CD2-CZ 3.6Å; L189-F191 HydrophobicContact CG-CE2 3.93Å; L189-F191 HydrophobicContact CG-CZ 4.15Å; F191-A202 CarbonylContact O-C 3.54Å; F191-A202 WeakPolarHBondContact O-CA 3.36Å; F191-A202 WeakPolarHBondContact O-CB 3.32Å; F191-F203 HydrophobicContact CB-CD1 4.26Å; F191-F203 HydrophobicContact CB-CE1 3.59Å; F191-F203 HydrophobicContact CB-CE2 4.44Å; F191-F203 HydrophobicContact CB-CZ 3.69Å; F191-F203 WeakPolarHBondContact O-CD1 3.36Å; F191-F203 WeakPolarHBondContact O-CE1 3.44Å; F191-F203 PolarHBondContact O-N 3.47Å; F191-K204 HydrophobicContact CB-CB 4.13Å; F191-K204 HydrophobicContact CD2-CB 3.98Å; F191-K204 HydrophobicContact CD2-CD 4.32Å; F191-K204 HydrophobicContact CD2-CG 4.12Å; F191-K204 HydrophobicContact CG-CB 4.36Å; F191-K204 PolarHBondContact N-O 3.38Å; F191-I206 HydrophobicContact CE2-CD1 4.04Å; F191-I206 HydrophobicContact CE2-CG1 4.33Å; F191-I206 HydrophobicContact CZ-CD1 4.35Å; F191-F217 HydrophobicContact CD1-CZ 4.2Å; F191-F217 HydrophobicContact CE1-CE1 4.05Å; F191-F217 AromaticContact CE1-CZ 3.84Å; F191-F217 HydrophobicContact CE1-CZ 3.84Å; F191-I224 HydrophobicContact CE1-CD1 4.48Å; F191-I224 HydrophobicContact CZ-CG2 4.2Å; F191-V238 HydrophobicContact CE1-CG1 4.12Å; F191-V238 HydrophobicContact CE1-CG2 4.45Å
192F97.9Very high94.8Very high1 Ų147.3 Ų47.30%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-121.3121.1-177.9-59-96.2000109.9I127 L161 D163 I179 L180 S182 K190 F194 A202I127-F192 HydrophobicContact CD1-CE2 4.04Å; I127-F192 HydrophobicContact CD1-CZ 4.4Å; L161-F192 HydrophobicContact CB-CD1 4.13Å; L161-F192 HydrophobicContact CB-CE1 4Å; L161-F192 HydrophobicContact CD1-CB 3.81Å; L161-F192 HydrophobicContact CD1-CD1 3.81Å; L161-F192 HydrophobicContact CD1-CD2 3.99Å; L161-F192 HydrophobicContact CD1-CE1 4.34Å; L161-F192 HydrophobicContact CD1-CG 3.6Å; L161-F192 HydrophobicContact CD2-CD1 4.05Å; L161-F192 HydrophobicContact CD2-CG 4.49Å; L161-F192 HydrophobicContact CG-CD1 4.21Å; L161-F192 HydrophobicContact CG-CG 4.48Å; D163-F192 HydrophobicContact CB-CE1 3.88Å; D163-F192 HydrophobicContact CB-CZ 4.02Å; I179-F192 CarbonylContact C-O 3.51Å; I179-F192 VanDerWaalsContact CA-O 3.29Å; I179-F192 WeakPolarHBondContact CA-O 3.4Å; L180-F192 PolarHBondContact N-O 3.03Å; L180-F192 PolarHBondContact O-N 2.86Å; S182-F192 VanDerWaalsContact OG-CE2 3.29Å; S182-F192 WeakPolarHBondContact OG-CE2 3.39Å; K190-F192 HydrophobicContact CB-CD2 4.4Å; K190-F192 HydrophobicContact CB-CE2 3.51Å; K190-F192 HydrophobicContact CB-CZ 3.85Å; K190-F192 HydrophobicContact CD-CZ 4.07Å; F192-F194 PolarHBondContact O-N 2.6Å; F192-A202 HydrophobicContact CD1-CB 4.27Å; F192-A202 HydrophobicContact CE1-CB 3.98Å; F192-A202 VanDerWaalsContact CE1-N 3.31Å; F192-A202 HydrophobicContact CE2-CB 4.36Å; F192-A202 HydrophobicContact CZ-CB 4.02Å
193D96.1Very high94.7Very high53 Ų5352.7 Ų52.728%0.28327%0.273SS..EExtended strand (participates in β ladder)trans-79105.1165.9170.77.2000107.3A195 V199 F203D193-A195 VanDerWaalsContact OD1-CB 3.23Å; D193-A195 WeakPolarHBondContact OD1-CB 3.4Å; D193-A195 PolarHBondContact OD1-N 3.3Å; D193-V199 WeakPolarHBondContact O-CB 3.48Å; D193-V199 WeakPolarHBondContact O-CG1 3.37Å; D193-V199 WeakPolarHBondContact O-CG2 3.08Å; D193-F203 HydrophobicContact CB-CD1 3.99Å; D193-F203 HydrophobicContact CB-CE1 4.14Å
194F95.4Very high94.6Very high7 Ų754.8 Ų54.83%0.03128%0.282CS..  trans-95.44.4-176.361.3-100.4000113.5L117 I129 R159 F173 Q178 L180 F192 K196L117-F194 HydrophobicContact CD1-CE2 3.67Å; L117-F194 HydrophobicContact CD1-CZ 4.07Å; I129-F194 HydrophobicContact CD1-CB 3.6Å; I129-F194 HydrophobicContact CD1-CD1 3.77Å; I129-F194 HydrophobicContact CD1-CD2 4.17Å; I129-F194 HydrophobicContact CD1-CE1 4.46Å; I129-F194 HydrophobicContact CD1-CG 3.59Å; R159-F194 HydrophobicContact CG-CB 4.27Å; R159-F194 PolarHBondContact NE-O 2.73Å; R159-F194 PolarHBondContact NH2-O 2.88Å; F173-F194 AromaticContact CD1-CE1 3.74Å; F173-F194 HydrophobicContact CD1-CE1 3.74Å; F173-F194 AromaticContact CD1-CZ 3.79Å; F173-F194 HydrophobicContact CD1-CZ 3.79Å; F173-F194 AromaticContact CE1-CE1 3.85Å; F173-F194 HydrophobicContact CE1-CE1 3.85Å; F173-F194 AromaticContact CE1-CZ 3.81Å; F173-F194 HydrophobicContact CE1-CZ 3.81Å; Q178-F194 HydrophobicContact CB-CD2 4.08Å; Q178-F194 HydrophobicContact CB-CE1 4.38Å; Q178-F194 HydrophobicContact CB-CE2 3.7Å; Q178-F194 HydrophobicContact CB-CZ 3.87Å; Q178-F194 HydrophobicContact CG-CE2 3.93Å; Q178-F194 HydrophobicContact CG-CZ 4.29Å; Q178-F194 WeakPolarHBondContact O-CD1 3.22Å; Q178-F194 WeakPolarHBondContact O-CE1 3.31Å; Q178-F194 PolarHBondContact O-N 2.89Å; L180-F194 HydrophobicContact CB-CD1 3.84Å; L180-F194 HydrophobicContact CB-CE1 3.98Å; F192-F194 PolarHBondContact O-N 2.6Å; F194-K196 PolarHBondContact O-N 3.15Å
195A93.6Very high94.6Very high45 Ų4557.2 Ų57.237%0.37230%0.297SS..SBendtrans-58.3-37.9175.300000110.9R159 Q178 D193R159-A195 PolarHBondContact NH2-O 3.18Å; R159-A195 VanDerWaalsContact NH2-O 3.16Å; Q178-A195 HydrophobicContact CB-CB 4.13Å; D193-A195 VanDerWaalsContact OD1-CB 3.23Å; D193-A195 WeakPolarHBondContact OD1-CB 3.4Å; D193-A195 PolarHBondContact OD1-N 3.3Å
196K87.9Confident94.6Very high132 Ų13252.7 Ų52.757%0.57428%0.278SS*.SBendtrans-90.2132.3177.9-61.2175.8-169.6170.20111.5R159 F194 S198 V199R159-K196 PolarHBondContact NE-O 3.41Å; F194-K196 PolarHBondContact O-N 3.15Å; K196-S198 VanDerWaalsContact C-N 3.32Å; K196-S198 PolarHBondContact O-N 2.97Å; K196-V199 HydrophobicContact CB-CG2 3.86Å; K196-V199 PolarHBondContact O-N 2.87Å
197S82.2Confident94.5Very high96 Ų9657.8 Ų57.867%0.67130%0.304SS*.THydrogen-bonded Turntrans-68.3-24.3-178.958.90000115.3V199S197-V199 VanDerWaalsContact C-N 3.31Å; S197-V199 PolarHBondContact O-N 2.89Å
198S84.9Confident94.5Very high98 Ų9857 Ų5769%0.68530%0.297SS*.THydrogen-bonded Turntrans-80.2-8.5179.856.40000114.3K196 K200K196-S198 VanDerWaalsContact C-N 3.32Å; K196-S198 PolarHBondContact O-N 2.97Å; S198-K200 PolarHBondContact O-N 3.31Å
199V86.5Confident94.3Very high31 Ų3162 Ų6219%0.18833%0.327CS..  trans-72.5121.9-175.8175.70000110L161 D193 K196 S197 R201L161-V199 WeakPolarHBondContact CD2-O 3.33Å; D193-V199 WeakPolarHBondContact O-CB 3.48Å; D193-V199 WeakPolarHBondContact O-CG1 3.37Å; D193-V199 WeakPolarHBondContact O-CG2 3.08Å; K196-V199 HydrophobicContact CB-CG2 3.86Å; K196-V199 PolarHBondContact O-N 2.87Å; S197-V199 VanDerWaalsContact C-N 3.31Å; S197-V199 PolarHBondContact O-N 2.89Å; V199-R201 WeakPolarHBondContact CG1-O 3.37Å
200K90.6Very high94.3Very high127 Ų12765.5 Ų65.555%0.55234%0.344SS*.  trans-120.5-17.3172.8-63.2-176.1-179.3-179.80113Y162 S198Y162-K200 CarbonylContact C-O 3.54Å; Y162-K200 PolarHBondContact N-O 3.41Å; S198-K200 PolarHBondContact O-N 3.31Å
201R94.9Very high94.3Very high176 Ų17665.2 Ų65.266%0.66434%0.344SS*.SBendtrans-120.1154-172.1-56.9-166.273.7170.94.2111.6D163 V199D163-R201 HydrophobicContact CB-CB 4.36Å; D163-R201 HydrophobicContact CB-CG 4.46Å; D163-R201 IonicContact OD1-CZ 2.79Å; D163-R201 VanDerWaalsContact OD1-CZ 3.31Å; D163-R201 IonicContact OD1-NE 3.86Å; D163-R201 PolarHBondContact OD1-NE 3.28Å; D163-R201 IonicContact OD1-NH2 2.79Å; D163-R201 PolarHBondContact OD1-NH2 3.42Å; V199-R201 WeakPolarHBondContact CG1-O 3.37Å
202A96.7Very high94.3Very high21 Ų2165.1 Ų65.117%0.17434%0.344CS..  trans-69.6143.3179.600000110.7D163 K190 F191 F192D163-A202 WeakPolarHBondContact OD2-CB 3.26Å; D163-A202 PolarHBondContact OD2-N 2.77Å; D163-A202 VanDerWaalsContact OD2-N 3.08Å; K190-A202 HydrophobicContact CB-CB 3.71Å; K190-A202 HydrophobicContact CD-CB 4.08Å; K190-A202 HydrophobicContact CG-CB 3.91Å; F191-A202 CarbonylContact O-C 3.54Å; F191-A202 WeakPolarHBondContact O-CA 3.36Å; F191-A202 WeakPolarHBondContact O-CB 3.32Å; F192-A202 HydrophobicContact CD1-CB 4.27Å; F192-A202 HydrophobicContact CE1-CB 3.98Å; F192-A202 VanDerWaalsContact CE1-N 3.31Å; F192-A202 HydrophobicContact CE2-CB 4.36Å; F192-A202 HydrophobicContact CZ-CB 4.02Å
203F96.1Very high94.3Very high112 Ų11266.7 Ų66.749%0.49135%0.349SS..SBendtrans-88-15.5171.371-88.2000112I179 F191 D193I179-F203 HydrophobicContact CD1-CE1 4.4Å; I179-F203 HydrophobicContact CD1-CZ 3.89Å; I179-F203 HydrophobicContact CG1-CE1 4.19Å; I179-F203 HydrophobicContact CG1-CZ 4.19Å; I179-F203 HydrophobicContact CG2-CE1 4.15Å; I179-F203 HydrophobicContact CG2-CZ 4.26Å; F191-F203 HydrophobicContact CB-CD1 4.26Å; F191-F203 HydrophobicContact CB-CE1 3.59Å; F191-F203 HydrophobicContact CB-CE2 4.44Å; F191-F203 HydrophobicContact CB-CZ 3.69Å; F191-F203 WeakPolarHBondContact O-CD1 3.36Å; F191-F203 WeakPolarHBondContact O-CE1 3.44Å; F191-F203 PolarHBondContact O-N 3.47Å; D193-F203 HydrophobicContact CB-CD1 3.99Å; D193-F203 HydrophobicContact CB-CE1 4.14Å
204K96.6Very high94.4Very high44 Ų4464.4 Ų64.419%0.19134%0.338CS..EExtended strand (participates in β ladder)trans-146.4141.1-179.4-168175-102.7-1120109.2F191 V238 D239 L241F191-K204 HydrophobicContact CB-CB 4.13Å; F191-K204 HydrophobicContact CD2-CB 3.98Å; F191-K204 HydrophobicContact CD2-CD 4.32Å; F191-K204 HydrophobicContact CD2-CG 4.12Å; F191-K204 HydrophobicContact CG-CB 4.36Å; F191-K204 PolarHBondContact N-O 3.38Å; K204-V238 WeakPolarHBondContact CE-O 3.37Å; K204-V238 PolarHBondContact NZ-O 3.4Å; K204-D239 VanDerWaalsContact NZ-C 3.32Å; K204-D239 PolarHBondContact NZ-O 2.84Å; K204-L241 HydrophobicContact CD-CD1 4.22Å; K204-L241 HydrophobicContact CD-CD2 3.53Å; K204-L241 HydrophobicContact CD-CG 4.1Å; K204-L241 HydrophobicContact CG-CD1 3.77Å; K204-L241 HydrophobicContact CG-CD2 3.78Å; K204-L241 HydrophobicContact CG-CG 4.19Å
205T98.2Very high94.5Very high52 Ų5264.8 Ų64.832%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-140.2132.2-179.7-61.80000109.2T188 L189 K190 L207T188-T205 HydrophobicContact CG2-CG2 4.28Å; L189-T205 CarbonylContact O-C 3.5Å; L189-T205 VanDerWaalsContact O-CA 3.29Å; L189-T205 WeakPolarHBondContact O-CA 3.4Å; K190-T205 HydrophobicContact CG-CG2 4.12Å; K190-T205 PolarHBondContact NZ-OG1 3.18Å; T205-L207 HydrophobicContact CG2-CD2 4.43Å
206I98Very high94.7Very high10 Ų1063.3 Ų63.35%0.05133%0.327CS..EExtended strand (participates in β ladder)trans-105.6134.1168.9-64.3172000107.5T188 L189 F191 Y236 L241T188-I206 WeakPolarHBondContact CA-O 3.45Å; L189-I206 HydrophobicContact CB-CB 4.18Å; L189-I206 HydrophobicContact CD2-CB 4.4Å; L189-I206 HydrophobicContact CD2-CD1 3.72Å; L189-I206 HydrophobicContact CD2-CG1 4.45Å; L189-I206 PolarHBondContact N-O 3.19Å; L189-I206 PolarHBondContact O-N 2.77Å; F191-I206 HydrophobicContact CE2-CD1 4.04Å; F191-I206 HydrophobicContact CE2-CG1 4.33Å; F191-I206 HydrophobicContact CZ-CD1 4.35Å; I206-Y236 HydrophobicContact CD1-CD1 3.51Å; I206-Y236 HydrophobicContact CD1-CD2 4.27Å; I206-Y236 HydrophobicContact CD1-CE1 4.1Å; I206-Y236 HydrophobicContact CD1-CG 3.59Å; I206-Y236 HydrophobicContact CG1-CD1 4.37Å; I206-Y236 HydrophobicContact CG2-CD1 4.02Å; I206-Y236 HydrophobicContact CG2-CE1 3.46Å; I206-Y236 VanDerWaalsContact CG2-CE1 3.46Å; I206-Y236 HydrophobicContact CG2-CE2 4.29Å; I206-L241 HydrophobicContact CD1-CD2 3.58Å; I206-L241 HydrophobicContact CG1-CB 4.39Å; I206-L241 HydrophobicContact CG1-CD1 4.29Å; I206-L241 HydrophobicContact CG1-CD2 3.56Å; I206-L241 HydrophobicContact CG1-CG 4.3Å
207L97.9Very high95.2Very high137 Ų13758 Ų5872%0.71730%0.304SS*.EExtended strand (participates in β ladder)trans-91.8133.2173.3-60.4177.7000109.5T188 T205T188-L207 HydrophobicContact CG2-CD2 3.83Å; T205-L207 HydrophobicContact CG2-CD2 4.43Å
208E97.3Very high95.9Very high17 Ų1754.3 Ų54.38%0.07928%0.277CS..  trans-111.8161.9172.8-82.5-71.8-17400110.2C187 V212 T228 R234 Y236C187-E208 HydrophobicContact CB-CB 4.45Å; C187-E208 WeakPolarHBondContact CB-O 3.47Å; C187-E208 WeakPolarHBondContact O-CA 3.46Å; C187-E208 WeakPolarHBondContact O-CB 3.37Å; C187-E208 PolarHBondContact O-N 3.09Å; E208-V212 HydrophobicContact CB-CG2 4.32Å; E208-V212 HydrophobicContact CG-CG2 4.09Å; E208-T228 HydrophobicContact CG-CG2 4.26Å; E208-R234 VanDerWaalsContact OE1-CD 3.24Å; E208-R234 WeakPolarHBondContact OE1-CD 3.4Å; E208-R234 IonicContact OE1-NE 3.04Å; E208-R234 IonicContact OE1-NH1 2.8Å; E208-R234 PolarHBondContact OE1-NH1 2.76Å; E208-R234 IonicContact OE2-CZ 3.57Å; E208-R234 IonicContact OE2-NE 2.75Å; E208-R234 IonicContact OE2-NH1 2.9Å; E208-R234 PolarHBondContact OE2-NH1 3.25Å; E208-R234 IonicContact OE2-NH2 3.58Å; E208-Y236 WeakPolarHBondContact OE1-CE2 3.35Å; E208-Y236 PolarHBondContact OE1-OH 2.92Å
209V94.5Very high96.5Very high120 Ų12051.7 Ų51.773%0.72726%0.258SS*.SBendtrans-88-24.6176-174.30000111.1
210E98Very high96.9Very high74 Ų7455 Ų5535%0.34627%0.274SS..SBendtrans-129153.7-175.8-72.7-66.5170.200110.9V212 E229 H230E210-V212 PolarHBondContact O-N 3.48Å; E210-E229 HydrophobicContact CB-CB 4.31Å; E210-H230 HydrophobicContact CG-CB 4.18Å
211P98.4Very high97.3Very high15 Ų1549 Ų4910%0.09725%0.248CC..  trans-49.9131.9176.3-33.139.5000113.3K185 T228 E229K185-P211 HydrophobicContact CG-CB 4.36Å; K185-P211 HydrophobicContact CG-CG 4.37Å; P211-T228 CarbonylContact O-C 3.6Å; P211-T228 WeakPolarHBondContact O-CA 3.33Å; P211-T228 WeakPolarHBondContact O-CB 3.19Å; P211-E229 HydrophobicContact CB-CG 4.16Å; P211-E229 HydrophobicContact CG-CG 4.49Å; P211-E229 PolarHBondContact O-N 2.91Å
212V98.5Very high97.4Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-77.8130.9177.6-174.90000109.5N169 S184 E208 E210 M215 V226 T228N169-V212 VanDerWaalsContact CB-O 3.25Å; N169-V212 WeakPolarHBondContact CB-O 3.45Å; N169-V212 PolarHBondContact ND2-O 2.75Å; S184-V212 PolarHBondContact O-N 3.09Å; E208-V212 HydrophobicContact CB-CG2 4.32Å; E208-V212 HydrophobicContact CG-CG2 4.09Å; E210-V212 PolarHBondContact O-N 3.48Å; V212-M215 HydrophobicContact CG1-CE 3.86Å; V212-V226 HydrophobicContact CG1-CG1 3.83Å; V212-V226 HydrophobicContact CG2-CG1 4.34Å; V212-T228 HydrophobicContact CG2-CG2 4.47Å
213R97.7Very high97.4Very high33 Ų3344.4 Ų44.413%0.12524%0.236CC..EExtended strand (participates in β ladder)trans-112.3-33.8-173.9-62.5-170.469.573.511114.2C170 G227 T228 E229 I257 R348C170-R213 VanDerWaalsContact SG-C 3.55Å; R213-G227 PolarHBondContact N-O 2.77Å; R213-T228 WeakPolarHBondContact CD-O 3.24Å; R213-E229 HydrophobicContact CG-CG 4.02Å; R213-E229 IonicContact NH1-OE1 3.85Å; R213-E229 PolarHBondContact NH1-OE1 2.97Å; R213-I257 WeakPolarHBondContact CB-O 3.27Å; R213-I257 VanDerWaalsContact CD-O 3.31Å; R213-I257 WeakPolarHBondContact CD-O 3.4Å; R213-R348 PolarHBondContact O-NH1 3.4Å
214C97.7Very high97.5Very high6 Ų639 Ų394%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-157158.7-179.253.20000110.3C170 G227 T258 I260C170-C214 VanDerWaalsContact SG-CA 3.53Å; C170-C214 PolarHBondContact SG-N 3.46Å; C170-C214 VanDerWaalsContact SG-N 3.44Å; C214-G227 PolarHBondContact N-O 2.82Å; C214-G227 PolarHBondContact O-N 2.83Å; C214-T258 WeakPolarHBondContact CB-O 3.37Å; C214-T258 VanDerWaalsContact SG-C 3.52Å; C214-T258 PolarHBondContact SG-O 3.28Å; C214-T258 VanDerWaalsContact SG-O 3.41Å; C214-I260 VanDerWaalsContact SG-CD1 3.57Å
215M98.1Very high97.6Very high15 Ų1537 Ų377%0.07420%0.204CC..EExtended strand (participates in β ladder)trans-156.5156.9175.561-174.372.400111.3C170 A172 A181 S182 L189 V212 I224 L225C170-M215 HydrophobicContact CB-CE 4.48Å; C170-M215 WeakPolarHBondContact SG-CE 3.24Å; A172-M215 HydrophobicContact CB-CG 3.98Å; A172-M215 HydrophobicContact CB-SD 4.27Å; A181-M215 HydrophobicContact CB-SD 3.89Å; S182-M215 VanDerWaalsContact C-CE 3.49Å; L189-M215 HydrophobicContact CD1-CE 3.23Å; L189-M215 HydrophobicContact CD1-SD 3.44Å; L189-M215 WeakPolarHBondContact CD1-SD 3.14Å; V212-M215 HydrophobicContact CG1-CE 3.86Å; M215-I224 HydrophobicContact CB-CD1 4.18Å; M215-I224 HydrophobicContact CB-CG1 4.31Å; M215-I224 HydrophobicContact CG-CD1 4.4Å; M215-I224 HydrophobicContact SD-CD1 4Å; M215-L225 CarbonylContact C-O 3.59Å; M215-L225 WeakPolarHBondContact CA-O 3.48Å; M215-L225 VanDerWaalsContact CB-O 3.28Å; M215-L225 WeakPolarHBondContact CB-O 3.33Å
216A98.2Very high97.6Very high13 Ų1334.6 Ų34.611%0.10719%0.188CC..EExtended strand (participates in β ladder)trans-149129.1173.100000110.2L225 I260 Y262A216-L225 PolarHBondContact N-O 2.87Å; A216-L225 PolarHBondContact O-N 3.24Å; A216-I260 HydrophobicContact CB-CB 4.42Å; A216-I260 HydrophobicContact CB-CG2 4.01Å; A216-Y262 HydrophobicContact CB-CD2 4.09Å
217F98.5Very high97.6Very high20 Ų2034.1 Ų34.19%0.08819%0.186CC..EExtended strand (participates in β ladder)trans-68.2146.3165.6-77.6-78000110A172 F173 H174 A181 F191 C223 I224 V238 Y262A172-F217 HydrophobicContact CB-CD2 3.87Å; A172-F217 HydrophobicContact CB-CE2 4.1Å; F173-F217 WeakPolarHBondContact O-CD2 3.15Å; H174-F217 HydrophobicContact CB-CE2 4.27Å; H174-F217 HydrophobicContact CB-CZ 4.23Å; H174-F217 AromaticContact CD2-CE1 3.82Å; A181-F217 HydrophobicContact CB-CE2 3.58Å; A181-F217 HydrophobicContact CB-CZ 3.66Å; F191-F217 HydrophobicContact CD1-CZ 4.2Å; F191-F217 HydrophobicContact CE1-CE1 4.05Å; F191-F217 AromaticContact CE1-CZ 3.84Å; F191-F217 HydrophobicContact CE1-CZ 3.84Å; F217-C223 WeakPolarHBondContact CA-O 3.4Å; F217-I224 HydrophobicContact CD1-CB 4.02Å; F217-I224 HydrophobicContact CD1-CD1 4.26Å; F217-I224 HydrophobicContact CD1-CG1 4.33Å; F217-I224 HydrophobicContact CD2-CD1 4.26Å; F217-I224 HydrophobicContact CE1-CB 4.16Å; F217-I224 HydrophobicContact CE1-CD1 4.02Å; F217-I224 HydrophobicContact CE1-CG1 4.48Å; F217-I224 HydrophobicContact CE2-CD1 4.01Å; F217-I224 HydrophobicContact CG-CD1 4.38Å; F217-I224 HydrophobicContact CG-CG1 4.49Å; F217-I224 HydrophobicContact CZ-CD1 3.9Å; F217-V238 HydrophobicContact CD1-CG2 4.25Å; F217-V238 HydrophobicContact CE1-CG2 3.81Å; F217-Y262 WeakPolarHBondContact O-CD2 3.42Å
218D97.3Very high97.6Very high20 Ų2027.6 Ų27.611%0.10715%0.152CC..  trans-66.2163.2161.684.3-69000109.9L220 G221 D222 C223 Y262D218-L220 PolarHBondContact O-N 2.79Å; D218-L220 WeakPolarHBondContact OD2-CA 3.11Å; D218-L220 VanDerWaalsContact OD2-CB 3.31Å; D218-L220 WeakPolarHBondContact OD2-CB 3.29Å; D218-L220 PolarHBondContact OD2-N 3.18Å; D218-G221 PolarHBondContact O-N 3.34Å; D218-G221 VanDerWaalsContact OD1-C 3.24Å; D218-G221 WeakPolarHBondContact OD1-CA 3.14Å; D218-G221 PolarHBondContact OD1-N 2.69Å; D218-G221 PolarHBondContact OD2-N 3.42Å; D218-D222 PolarHBondContact OD1-N 3.47Å; D218-C223 HydrophobicContact CB-CB 4.32Å; D218-C223 PolarHBondContact N-O 2.91Å; D218-C223 WeakPolarHBondContact OD1-CA 3.33Å; D218-C223 PolarHBondContact OD1-N 2.77Å; D218-Y262 HydrophobicContact CB-CD2 4.38Å; D218-Y262 HydrophobicContact CB-CE1 4.21Å; D218-Y262 HydrophobicContact CB-CE2 3.99Å
219P96.4Very high97.7Very high43 Ų4330.6 Ų30.628%0.27917%0.166SC..SBendtrans-63-24.5-176.2-25.436.3000115.2P175 T263 H264P175-P219 WeakPolarHBondContact CG-O 3.38Å; P219-T263 WeakPolarHBondContact CG-O 3.27Å; P219-H264 WeakPolarHBondContact CB-O 3.32Å; P219-H264 VanDerWaalsContact CG-O 3.31Å; P219-H264 WeakPolarHBondContact CG-O 3.28Å
220L96.4Very high97.8Very high99 Ų9928.9 Ų28.952%0.51815%0.15SC..SBendtrans-82.8-27.3173.3-56.7175.7000110.6R176 D218 D222R176-L220 PolarHBondContact NE-O 3.16Å; R176-L220 PolarHBondContact NH2-O 2.56Å; D218-L220 PolarHBondContact O-N 2.79Å; D218-L220 WeakPolarHBondContact OD2-CA 3.11Å; D218-L220 VanDerWaalsContact OD2-CB 3.31Å; D218-L220 WeakPolarHBondContact OD2-CB 3.29Å; D218-L220 PolarHBondContact OD2-N 3.18Å; L220-D222 VanDerWaalsContact C-N 3.31Å
221G97.3Very high97.8Very high1 Ų126.6 Ų26.61%0.0114%0.142CC..SBendtrans84.47.4-177.800000113.4H174 D218 C223 V238H174-G221 PolarHBondContact NE2-O 2.87Å; H174-G221 VanDerWaalsContact NE2-O 3.09Å; D218-G221 PolarHBondContact O-N 3.34Å; D218-G221 VanDerWaalsContact OD1-C 3.24Å; D218-G221 WeakPolarHBondContact OD1-CA 3.14Å; D218-G221 PolarHBondContact OD1-N 2.69Å; D218-G221 PolarHBondContact OD2-N 3.42Å; G221-C223 VanDerWaalsContact C-N 3.26Å; G221-C223 PolarHBondContact O-N 2.88Å; G221-V238 WeakPolarHBondContact O-CG2 3.38Å
222D97.1Very high97.7Very high73 Ų7327.3 Ų27.339%0.3915%0.146SC..SBendtrans-74.3-23.2177.8-55.7-24.4000111.1R176 D218 L220 V238R176-D222 IonicContact NH2-OD1 3.95Å; R176-D222 PolarHBondContact NH2-OD1 3.11Å; D218-D222 PolarHBondContact OD1-N 3.47Å; L220-D222 VanDerWaalsContact C-N 3.31Å; D222-V238 PolarHBondContact O-N 2.98Å
223C97.4Very high97.7Very high28 Ų2827.7 Ų27.719%0.18915%0.148CC..EExtended strand (participates in β ladder)trans-130.8151.5-178.6-65.10000112F217 D218 G221 L235 Y236F217-C223 WeakPolarHBondContact CA-O 3.4Å; D218-C223 HydrophobicContact CB-CB 4.32Å; D218-C223 PolarHBondContact N-O 2.91Å; D218-C223 WeakPolarHBondContact OD1-CA 3.33Å; D218-C223 PolarHBondContact OD1-N 2.77Å; G221-C223 VanDerWaalsContact C-N 3.26Å; G221-C223 PolarHBondContact O-N 2.88Å; C223-L235 HydrophobicContact CB-CD1 4.29Å; C223-L235 HydrophobicContact CB-CD2 4.13Å; C223-L235 HydrophobicContact CB-CG 4.2Å; C223-Y236 CarbonylContact C-O 3.58Å; C223-Y236 VanDerWaalsContact CA-O 3.27Å; C223-Y236 WeakPolarHBondContact CA-O 3.35Å
224I98.2Very high97.7Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-132.2128.9173.1-171166.9000110.6A181 L189 F191 M215 F217 L235 Y236 V238A181-I224 HydrophobicContact CB-CD1 3.84Å; L189-I224 HydrophobicContact CD1-CD1 4.25Å; L189-I224 HydrophobicContact CD2-CD1 4.33Å; L189-I224 HydrophobicContact CD2-CG2 4.13Å; F191-I224 HydrophobicContact CE1-CD1 4.48Å; F191-I224 HydrophobicContact CZ-CG2 4.2Å; M215-I224 HydrophobicContact CB-CD1 4.18Å; M215-I224 HydrophobicContact CB-CG1 4.31Å; M215-I224 HydrophobicContact CG-CD1 4.4Å; M215-I224 HydrophobicContact SD-CD1 4Å; F217-I224 HydrophobicContact CD1-CB 4.02Å; F217-I224 HydrophobicContact CD1-CD1 4.26Å; F217-I224 HydrophobicContact CD1-CG1 4.33Å; F217-I224 HydrophobicContact CD2-CD1 4.26Å; F217-I224 HydrophobicContact CE1-CB 4.16Å; F217-I224 HydrophobicContact CE1-CD1 4.02Å; F217-I224 HydrophobicContact CE1-CG1 4.48Å; F217-I224 HydrophobicContact CE2-CD1 4.01Å; F217-I224 HydrophobicContact CG-CD1 4.38Å; F217-I224 HydrophobicContact CG-CG1 4.49Å; F217-I224 HydrophobicContact CZ-CD1 3.9Å; I224-L235 WeakPolarHBondContact O-CA 3.5Å; I224-Y236 PolarHBondContact N-O 2.98Å; I224-Y236 PolarHBondContact O-N 3.14Å; I224-V238 HydrophobicContact CB-CG2 4.35Å; I224-V238 HydrophobicContact CG2-CG2 4.2Å
225L98.4Very high97.7Very high2 Ų228.7 Ų28.71%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-84.4140.4169.6-71.5173.7000110.1M215 A216 L233 R234 L235 I260 Y262 F269M215-L225 CarbonylContact C-O 3.59Å; M215-L225 WeakPolarHBondContact CA-O 3.48Å; M215-L225 VanDerWaalsContact CB-O 3.28Å; M215-L225 WeakPolarHBondContact CB-O 3.33Å; A216-L225 PolarHBondContact N-O 2.87Å; A216-L225 PolarHBondContact O-N 3.24Å; L225-L233 HydrophobicContact CD2-CD2 4.07Å; L225-L233 HydrophobicContact CD2-CG 4.21Å; L225-R234 CarbonylContact C-O 3.57Å; L225-R234 WeakPolarHBondContact CA-O 3.41Å; L225-L235 HydrophobicContact CD2-CB 3.82Å; L225-L235 HydrophobicContact CD2-CD1 4.14Å; L225-L235 HydrophobicContact CD2-CG 4.26Å; L225-I260 HydrophobicContact CB-CD1 4.33Å; L225-I260 HydrophobicContact CB-CG2 3.86Å; L225-I260 HydrophobicContact CD1-CG2 3.65Å; L225-I260 HydrophobicContact CG-CG2 4.43Å; L225-Y262 HydrophobicContact CB-CE2 4.27Å; L225-Y262 HydrophobicContact CD1-CD2 4.06Å; L225-Y262 HydrophobicContact CD1-CE1 4.29Å; L225-Y262 HydrophobicContact CD1-CE2 3.29Å; L225-Y262 VanDerWaalsContact CD1-CZ 3.42Å; L225-Y262 WeakPolarHBondContact CD1-OH 3.4Å; L225-Y262 HydrophobicContact CG-CE2 3.55Å; L225-Y262 WeakPolarHBondContact CG-OH 3.46Å; L225-F269 HydrophobicContact CD1-CB 4.01Å; L225-F269 HydrophobicContact CD1-CD1 3.82Å; L225-F269 HydrophobicContact CD1-CD2 3.39Å; L225-F269 HydrophobicContact CD1-CE1 4.07Å; L225-F269 HydrophobicContact CD1-CE2 3.67Å; L225-F269 HydrophobicContact CD1-CG 3.46Å; L225-F269 VanDerWaalsContact CD1-CG 3.46Å; L225-F269 HydrophobicContact CD1-CZ 3.99Å; L225-F269 HydrophobicContact CD2-CE2 4.44Å; L225-F269 HydrophobicContact CD2-CZ 4.27Å
226V98.4Very high97.7Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-131.6125.8-178.1-1770000109.2L189 V212 T228 R234 Y236L189-V226 HydrophobicContact CD2-CG2 4.05Å; V212-V226 HydrophobicContact CG1-CG1 3.83Å; V212-V226 HydrophobicContact CG2-CG1 4.34Å; V226-T228 HydrophobicContact CG1-CG2 4.09Å; V226-R234 PolarHBondContact N-O 2.94Å; V226-R234 PolarHBondContact O-N 2.93Å; V226-R234 VanDerWaalsContact O-N 3.14Å; V226-Y236 HydrophobicContact CB-CD2 4.32Å; V226-Y236 HydrophobicContact CB-CE2 4.24Å; V226-Y236 HydrophobicContact CG2-CD2 3.72Å; V226-Y236 HydrophobicContact CG2-CE2 4.04Å
227G98.1Very high97.7Very high0 Ų029.8 Ų29.80%016%0.157CC..EExtended strand (participates in β ladder)trans-113.4130172.900000110.3R213 C214 I260R213-G227 PolarHBondContact N-O 2.77Å; C214-G227 PolarHBondContact N-O 2.82Å; C214-G227 PolarHBondContact O-N 2.83Å; G227-I260 VanDerWaalsContact N-CD1 3.28Å
228T98.4Very high97.6Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-117.9-171.9-175.265.70000111.5E208 P211 V212 R213 V226 H230 I257E208-T228 HydrophobicContact CG-CG2 4.26Å; P211-T228 CarbonylContact O-C 3.6Å; P211-T228 WeakPolarHBondContact O-CA 3.33Å; P211-T228 WeakPolarHBondContact O-CB 3.19Å; V212-T228 HydrophobicContact CG2-CG2 4.47Å; R213-T228 WeakPolarHBondContact CD-O 3.24Å; V226-T228 HydrophobicContact CG1-CG2 4.09Å; T228-H230 PolarHBondContact O-N 2.85Å; T228-H230 WeakPolarHBondContact OG1-CB 3.25Å; T228-H230 PolarHBondContact OG1-N 2.84Å; T228-H230 VanDerWaalsContact OG1-N 3.08Å; T228-I257 PolarHBondContact O-N 3.09Å; T228-I257 VanDerWaalsContact O-N 3.17Å
229E98.1Very high97.5Very high81 Ų8134.6 Ų34.638%0.37918%0.184SC..SBendtrans-67.5-13165.3-73.8-169.6169.200113.3E210 P211 R213 P256E210-E229 HydrophobicContact CB-CB 4.31Å; P211-E229 HydrophobicContact CB-CG 4.16Å; P211-E229 HydrophobicContact CG-CG 4.49Å; P211-E229 PolarHBondContact O-N 2.91Å; R213-E229 HydrophobicContact CG-CG 4.02Å; R213-E229 IonicContact NH1-OE1 3.85Å; R213-E229 PolarHBondContact NH1-OE1 2.97Å; E229-P256 WeakPolarHBondContact O-CG 3.36Å
230H97.8Very high97.5Very high83 Ų8336.2 Ų36.238%0.38419%0.193SC..SBendtrans-78.1160.6166.1-159.2-98.5000111.5E210 T228 T232E210-H230 HydrophobicContact CG-CB 4.18Å; T228-H230 PolarHBondContact O-N 2.85Å; T228-H230 WeakPolarHBondContact OG1-CB 3.25Å; T228-H230 PolarHBondContact OG1-N 2.84Å; T228-H230 VanDerWaalsContact OG1-N 3.08Å; H230-T232 VanDerWaalsContact C-N 3.32Å; H230-T232 PolarHBondContact CE1-OG1 3.41Å; H230-T232 WeakPolarHBondContact ND1-CB 3.4Å; H230-T232 PolarHBondContact ND1-N 3.14Å; H230-T232 PolarHBondContact ND1-OG1 2.96Å
231S97.1Very high97.5Very high27 Ų2734.3 Ų34.319%0.18918%0.183CC..SBendtrans-84.7-5.4-17979.70000114.7H253 G255S231-H253 WeakPolarHBondContact CB-O 3.22Å; S231-H253 WeakPolarHBondContact O-CB 3.42Å; S231-H253 PolarHBondContact O-N 3.19Å; S231-H253 PolarHBondContact OG-O 3.41Å; S231-G255 WeakPolarHBondContact CA-O 3.16Å; S231-G255 WeakPolarHBondContact CB-O 3.39Å
232T97.7Very high97.5Very high29 Ų2939.5 Ų39.518%0.17821%0.207CC..  trans-91.4123.7-176.9-53.90000110.3H230 V245 Q252H230-T232 VanDerWaalsContact C-N 3.32Å; H230-T232 PolarHBondContact CE1-OG1 3.41Å; H230-T232 WeakPolarHBondContact ND1-CB 3.4Å; H230-T232 PolarHBondContact ND1-N 3.14Å; H230-T232 PolarHBondContact ND1-OG1 2.96Å; T232-V245 HydrophobicContact CG2-CB 4.16Å; T232-V245 HydrophobicContact CG2-CG1 3.7Å; T232-Q252 HydrophobicContact CG2-CG 4.37Å
233L97.7Very high97.5Very high8 Ų838.8 Ų38.84%0.04221%0.207CC..  trans-79.2131.1170.9-172.273000109.6L225 I257 I260 F269 W281L225-L233 HydrophobicContact CD2-CD2 4.07Å; L225-L233 HydrophobicContact CD2-CG 4.21Å; L233-I257 HydrophobicContact CB-CD1 3.73Å; L233-I257 HydrophobicContact CD1-CD1 3.87Å; L233-I257 HydrophobicContact CD1-CG2 4.49Å; L233-I257 HydrophobicContact CG-CD1 4.43Å; L233-I260 HydrophobicContact CD1-CD1 3.32Å; L233-I260 HydrophobicContact CD1-CG1 3.8Å; L233-F269 HydrophobicContact CD2-CD2 4.18Å; L233-F269 HydrophobicContact CD2-CE2 3.27Å; L233-F269 HydrophobicContact CD2-CZ 3.92Å; L233-W281 HydrophobicContact CD2-CD2 4.46Å; L233-W281 HydrophobicContact CD2-CZ2 4.31Å
234R97.5Very high97.5Very high41 Ų4142.4 Ų42.416%0.15522%0.22CC..EExtended strand (participates in β ladder)trans-115.4141.6179.6-66.4179.6-178114.9-9110.8E208 L225 V226 Y236 V245E208-R234 VanDerWaalsContact OE1-CD 3.24Å; E208-R234 WeakPolarHBondContact OE1-CD 3.4Å; E208-R234 IonicContact OE1-NE 3.04Å; E208-R234 IonicContact OE1-NH1 2.8Å; E208-R234 PolarHBondContact OE1-NH1 2.76Å; E208-R234 IonicContact OE2-CZ 3.57Å; E208-R234 IonicContact OE2-NE 2.75Å; E208-R234 IonicContact OE2-NH1 2.9Å; E208-R234 PolarHBondContact OE2-NH1 3.25Å; E208-R234 IonicContact OE2-NH2 3.58Å; L225-R234 CarbonylContact C-O 3.57Å; L225-R234 WeakPolarHBondContact CA-O 3.41Å; V226-R234 PolarHBondContact N-O 2.94Å; V226-R234 PolarHBondContact O-N 2.93Å; V226-R234 VanDerWaalsContact O-N 3.14Å; R234-Y236 HydrophobicContact CB-CD2 4.32Å; R234-Y236 HydrophobicContact CB-CE2 3.73Å; R234-V245 HydrophobicContact CG-CG1 3.84Å
235L97.7Very high97.4Very high19 Ų1945.9 Ų45.910%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-111.9126.6170.3-178149.6000108.3C223 I224 L225 V237 C243 F244 C286C223-L235 HydrophobicContact CB-CD1 4.29Å; C223-L235 HydrophobicContact CB-CD2 4.13Å; C223-L235 HydrophobicContact CB-CG 4.2Å; I224-L235 WeakPolarHBondContact O-CA 3.5Å; L225-L235 HydrophobicContact CD2-CB 3.82Å; L225-L235 HydrophobicContact CD2-CD1 4.14Å; L225-L235 HydrophobicContact CD2-CG 4.26Å; L235-V237 HydrophobicContact CD2-CG2 4.45Å; L235-C243 CarbonylContact O-C 3.55Å; L235-C243 WeakPolarHBondContact O-CA 3.2Å; L235-F244 HydrophobicContact CB-CB 4.44Å; L235-F244 HydrophobicContact CD2-CB 4.4Å; L235-F244 HydrophobicContact CD2-CD2 4.03Å; L235-F244 PolarHBondContact N-O 2.08Å; L235-F244 PolarHBondContact O-N 3.43Å; L235-C286 VanDerWaalsContact CD1-SG 3.59Å
236Y98.1Very high97.2Very high16 Ų1646.2 Ų46.26%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-111131.8173.5-70.8-90.2000110.2I206 E208 C223 I224 V226 R234 V238 Q242 C243I206-Y236 HydrophobicContact CD1-CD1 3.51Å; I206-Y236 HydrophobicContact CD1-CD2 4.27Å; I206-Y236 HydrophobicContact CD1-CE1 4.1Å; I206-Y236 HydrophobicContact CD1-CG 3.59Å; I206-Y236 HydrophobicContact CG1-CD1 4.37Å; I206-Y236 HydrophobicContact CG2-CD1 4.02Å; I206-Y236 HydrophobicContact CG2-CE1 3.46Å; I206-Y236 VanDerWaalsContact CG2-CE1 3.46Å; I206-Y236 HydrophobicContact CG2-CE2 4.29Å; E208-Y236 WeakPolarHBondContact OE1-CE2 3.35Å; E208-Y236 PolarHBondContact OE1-OH 2.92Å; C223-Y236 CarbonylContact C-O 3.58Å; C223-Y236 VanDerWaalsContact CA-O 3.27Å; C223-Y236 WeakPolarHBondContact CA-O 3.35Å; I224-Y236 PolarHBondContact N-O 2.98Å; I224-Y236 PolarHBondContact O-N 3.14Å; V226-Y236 HydrophobicContact CB-CD2 4.32Å; V226-Y236 HydrophobicContact CB-CE2 4.24Å; V226-Y236 HydrophobicContact CG2-CD2 3.72Å; V226-Y236 HydrophobicContact CG2-CE2 4.04Å; R234-Y236 HydrophobicContact CB-CD2 4.32Å; R234-Y236 HydrophobicContact CB-CE2 3.73Å; Y236-V238 PolarHBondContact O-N 3.5Å; Y236-Q242 WeakPolarHBondContact CA-O 3.31Å; Y236-C243 HydrophobicContact CD1-CB 3.85Å; Y236-C243 HydrophobicContact CE1-CB 3.42Å; Y236-C243 VanDerWaalsContact CE1-CB 3.42Å; Y236-C243 VanDerWaalsContact CZ-SG 3.54Å
237V97.6Very high96.9Very high36 Ų3651.1 Ų51.122%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-75.3122.4165.8175.70000107.8L235 D239 T240 L241 Q242 F244L235-V237 HydrophobicContact CD2-CG2 4.45Å; V237-D239 VanDerWaalsContact C-N 3.33Å; V237-D239 PolarHBondContact O-N 3.22Å; V237-T240 WeakPolarHBondContact CB-OG1 3.2Å; V237-T240 HydrophobicContact CG1-CG2 4.32Å; V237-T240 WeakPolarHBondContact CG1-OG1 3.16Å; V237-L241 WeakPolarHBondContact O-CA 3.31Å; V237-L241 PolarHBondContact O-N 3.08Å; V237-Q242 PolarHBondContact N-O 2.61Å; V237-F244 HydrophobicContact CG2-CD2 4.22Å; V237-F244 HydrophobicContact CG2-CE2 3.72Å
238V96.4Very high96.9Very high10 Ų1053.3 Ų53.36%0.06129%0.289CS..THydrogen-bonded Turntrans-64.3-38.6-168.81750000111.5F191 K204 F217 G221 D222 I224 Y236F191-V238 HydrophobicContact CE1-CG1 4.12Å; F191-V238 HydrophobicContact CE1-CG2 4.45Å; K204-V238 WeakPolarHBondContact CE-O 3.37Å; K204-V238 PolarHBondContact NZ-O 3.4Å; F217-V238 HydrophobicContact CD1-CG2 4.25Å; F217-V238 HydrophobicContact CE1-CG2 3.81Å; G221-V238 WeakPolarHBondContact O-CG2 3.38Å; D222-V238 PolarHBondContact O-N 2.98Å; I224-V238 HydrophobicContact CB-CG2 4.35Å; I224-V238 HydrophobicContact CG2-CG2 4.2Å; Y236-V238 PolarHBondContact O-N 3.5Å
239D95.9Very high96.7Very high130 Ų13058.5 Ų58.570%0.69532%0.322SS*.THydrogen-bonded Turntrans-74-45.9-179.1-74.1-23000113.4K204 V237K204-D239 VanDerWaalsContact NZ-C 3.32Å; K204-D239 PolarHBondContact NZ-O 2.84Å; V237-D239 VanDerWaalsContact C-N 3.33Å; V237-D239 PolarHBondContact O-N 3.22Å
240T96.9Very high96.7Very high78 Ų7858.3 Ų58.348%0.47934%0.335SS..THydrogen-bonded Turntrans-93-14.7-173.765.80000113.4V237 Q242V237-T240 WeakPolarHBondContact CB-OG1 3.2Å; V237-T240 HydrophobicContact CG1-CG2 4.32Å; V237-T240 WeakPolarHBondContact CG1-OG1 3.16Å; T240-Q242 PolarHBondContact O-N 2.59Å; T240-Q242 WeakPolarHBondContact OG1-CB 3.26Å; T240-Q242 WeakPolarHBondContact OG1-CG 3.37Å; T240-Q242 PolarHBondContact OG1-N 3.42Å; T240-Q242 PolarHBondContact OG1-OE1 3.28Å
241L96.2Very high96.6Very high58 Ų5855.1 Ų55.130%0.30432%0.32SS..  trans57.817.1-170.2-55.5-177.8000114.5K204 I206 V237K204-L241 HydrophobicContact CD-CD1 4.22Å; K204-L241 HydrophobicContact CD-CD2 3.53Å; K204-L241 HydrophobicContact CD-CG 4.1Å; K204-L241 HydrophobicContact CG-CD1 3.77Å; K204-L241 HydrophobicContact CG-CD2 3.78Å; K204-L241 HydrophobicContact CG-CG 4.19Å; I206-L241 HydrophobicContact CD1-CD2 3.58Å; I206-L241 HydrophobicContact CG1-CB 4.39Å; I206-L241 HydrophobicContact CG1-CD1 4.29Å; I206-L241 HydrophobicContact CG1-CD2 3.56Å; I206-L241 HydrophobicContact CG1-CG 4.3Å; V237-L241 WeakPolarHBondContact O-CA 3.31Å; V237-L241 PolarHBondContact O-N 3.08Å
242Q97.4Very high96.7Very high111 Ų11154.4 Ų54.452%0.51931%0.314SS..  trans-69.9133.6176-72.3176.5-27.700110.2Y236 V237 T240 F244Y236-Q242 WeakPolarHBondContact CA-O 3.31Å; V237-Q242 PolarHBondContact N-O 2.61Å; T240-Q242 PolarHBondContact O-N 2.59Å; T240-Q242 WeakPolarHBondContact OG1-CB 3.26Å; T240-Q242 WeakPolarHBondContact OG1-CG 3.37Å; T240-Q242 PolarHBondContact OG1-N 3.42Å; T240-Q242 PolarHBondContact OG1-OE1 3.28Å; Q242-F244 HydrophobicContact CB-CE2 3.75Å; Q242-F244 HydrophobicContact CB-CZ 4.13Å
243C97.1Very high96.7Very high58 Ų5853 Ų5339%0.39231%0.306SS..EExtended strand (participates in β ladder)trans-97.9134.1-179.9-173.30000110.6L235 Y236L235-C243 CarbonylContact O-C 3.55Å; L235-C243 WeakPolarHBondContact O-CA 3.2Å; Y236-C243 HydrophobicContact CD1-CB 3.85Å; Y236-C243 HydrophobicContact CE1-CB 3.42Å; Y236-C243 VanDerWaalsContact CE1-CB 3.42Å; Y236-C243 VanDerWaalsContact CZ-SG 3.54Å
244F96.5Very high96.7Very high103 Ų10359.9 Ų59.945%0.45234%0.337SS..EExtended strand (participates in β ladder)trans-126.6149.9174-59.6-86.7000109.7L235 V237 Q242L235-F244 HydrophobicContact CB-CB 4.44Å; L235-F244 HydrophobicContact CD2-CB 4.4Å; L235-F244 HydrophobicContact CD2-CD2 4.03Å; L235-F244 PolarHBondContact N-O 2.08Å; L235-F244 PolarHBondContact O-N 3.43Å; V237-F244 HydrophobicContact CG2-CD2 4.22Å; V237-F244 HydrophobicContact CG2-CE2 3.72Å; Q242-F244 HydrophobicContact CB-CE2 3.75Å; Q242-F244 HydrophobicContact CB-CZ 4.13Å
245V96.4Very high96.7Very high73 Ų7358.4 Ų58.444%0.44234%0.335SS..  trans-136.3160174-63.10000108.1T232 R234T232-V245 HydrophobicContact CG2-CB 4.16Å; T232-V245 HydrophobicContact CG2-CG1 3.7Å; R234-V245 HydrophobicContact CG-CG1 3.84Å
246S95Very high96.8Very high9 Ų959 Ų596%0.06334%0.34CS..  trans-54.2133.2173.11770000110V248 D251 C286S246-V248 PolarHBondContact O-N 3.48Å; S246-V248 PolarHBondContact OG-N 2.91Å; S246-D251 PolarHBondContact OG-OD2 2.85Å; S246-C286 WeakPolarHBondContact CB-O 3.39Å
247P92.2Very high96.8Very high103 Ų10358.2 Ų58.267%0.66934%0.337SS*.SBendtrans-68.3-9.8176.729-36.1000113.1
248V96.6Very high96.8Very high47 Ų4756.5 Ų56.529%0.28533%0.327SS..  trans-108.6108.6179.6177.20000109.6S246 A250 D251S246-V248 PolarHBondContact O-N 3.48Å; S246-V248 PolarHBondContact OG-N 2.91Å; V248-A250 HydrophobicContact CG1-CB 4.21Å; V248-A250 PolarHBondContact O-N 2.82Å; V248-A250 VanDerWaalsContact O-N 3.16Å; V248-D251 WeakPolarHBondContact CG1-OD1 3.31Å; V248-D251 VanDerWaalsContact O-CB 3.29Å; V248-D251 WeakPolarHBondContact O-CB 3.31Å; V248-D251 PolarHBondContact O-N 3.2Å
249P95.7Very high96.9Very high108 Ų10857.1 Ų57.170%0.70133%0.33SS*.G310 helixtrans-57.4-32.4-177.6-28.435.8000114.4D251 Q252P249-D251 PolarHBondContact O-N 2.94Å; P249-Q252 WeakPolarHBondContact O-CB 3.49Å; P249-Q252 PolarHBondContact O-N 3.28Å
250A96.8Very high97Very high78 Ų7851.2 Ų51.265%0.64530%0.298SS*.G310 helixtrans-67.7-18178.400000113.9V248 Q252V248-A250 HydrophobicContact CG1-CB 4.21Å; V248-A250 PolarHBondContact O-N 2.82Å; V248-A250 VanDerWaalsContact O-N 3.16Å; A250-Q252 PolarHBondContact O-N 3.47Å
251D97.3Very high97Very high15 Ų1550.6 Ų50.68%0.0829%0.29CS..G310 helixtrans-67.9-31.3175-70.22.3000110.8S246 V248 P249 K279 W281 R287 C288S246-D251 PolarHBondContact OG-OD2 2.85Å; V248-D251 WeakPolarHBondContact CG1-OD1 3.31Å; V248-D251 VanDerWaalsContact O-CB 3.29Å; V248-D251 WeakPolarHBondContact O-CB 3.31Å; V248-D251 PolarHBondContact O-N 3.2Å; P249-D251 PolarHBondContact O-N 2.94Å; D251-K279 VanDerWaalsContact O-CD 3.23Å; D251-K279 WeakPolarHBondContact O-CD 3.4Å; D251-K279 WeakPolarHBondContact O-CE 3.38Å; D251-K279 PolarHBondContact O-NZ 2.94Å; D251-W281 HydrophobicContact CB-CH2 4.22Å; D251-W281 HydrophobicContact CB-CZ3 3.77Å; D251-W281 WeakPolarHBondContact O-CH2 3.5Å; D251-R287 IonicContact OD1-NH2 2.95Å; D251-R287 PolarHBondContact OD1-NH2 3.01Å; D251-R287 WeakPolarHBondContact OD2-CA 3.34Å; D251-R287 IonicContact OD2-CZ 3.32Å; D251-R287 IonicContact OD2-NE 3.42Å; D251-R287 PolarHBondContact OD2-NE 2.75Å; D251-R287 IonicContact OD2-NH2 3.26Å; D251-C288 HydrophobicContact CB-CB 3.62Å; D251-C288 PolarHBondContact OD2-N 2.72Å; D251-C288 VanDerWaalsContact OD2-N 3.07Å
252Q98Very high97.1Very high13 Ų1348.9 Ų48.96%0.06128%0.279CS..SBendtrans-66154.2-174.3-58.9-63.3-19.100112.7T232 P249 A250 Q254T232-Q252 HydrophobicContact CG2-CG 4.37Å; P249-Q252 WeakPolarHBondContact O-CB 3.49Å; P249-Q252 PolarHBondContact O-N 3.28Å; A250-Q252 PolarHBondContact O-N 3.47Å; Q252-Q254 PolarHBondContact O-NE2 2.93Å
253H98.3Very high97.1Very high0 Ų043.7 Ų43.70%026%0.255CS..  trans-63.5165.3170-78-71.5000111S231 S271 S273 D275 S277S231-H253 WeakPolarHBondContact CB-O 3.22Å; S231-H253 WeakPolarHBondContact O-CB 3.42Å; S231-H253 PolarHBondContact O-N 3.19Å; S231-H253 PolarHBondContact OG-O 3.41Å; H253-S271 PolarHBondContact CD2-OG 2.73Å; H253-S271 PolarHBondContact NE2-OG 2.98Å; H253-S273 VanDerWaalsContact CG-CB 3.49Å; H253-S273 WeakPolarHBondContact ND1-CB 3.48Å; H253-D275 WeakPolarHBondContact CA-OD2 3.49Å; H253-D275 WeakPolarHBondContact CB-OD2 3.31Å; H253-D275 IonicContact CG-OD2 2.78Å; H253-D275 IonicContact ND1-OD1 2.72Å; H253-D275 IonicContact ND1-OD2 3.61Å; H253-D275 PolarHBondContact ND1-OD2 2.92Å; H253-S277 PolarHBondContact CE1-OG 3.39Å; H253-S277 VanDerWaalsContact CE1-OG 3.29Å; H253-S277 PolarHBondContact ND1-OG 2.89Å; H253-S277 VanDerWaalsContact ND1-OG 3.09Å
254Q97.9Very high96.9Very high151 Ų15147.6 Ų47.671%0.70627%0.267SS*.SBendtrans-107.45.4177.2-56.5-56.9-52.500112.5Q252 D275Q252-Q254 PolarHBondContact O-NE2 2.93Å; Q254-D275 HydrophobicContact CB-CB 4.15Å; Q254-D275 PolarHBondContact N-OD2 3.44Å
255G97.9Very high96.8Very high10 Ų1047.9 Ų47.910%0.10328%0.278CS..SBendtrans-156.8177.3176.100000112.4S231 I257 S273S231-G255 WeakPolarHBondContact CA-O 3.16Å; S231-G255 WeakPolarHBondContact CB-O 3.39Å; G255-I257 PolarHBondContact O-N 3.03Å; G255-S273 PolarHBondContact O-OG 2.76Å
256P98.1Very high96.7Very high32 Ų3245.1 Ų45.121%0.20826%0.264CS..  trans-48.5132.1-177.4-29.832.9000113.5E229 T258 S273 K274E229-P256 WeakPolarHBondContact O-CG 3.36Å; P256-T258 PolarHBondContact O-N 2.61Å; P256-S273 WeakPolarHBondContact O-CA 3.31Å; P256-S273 PolarHBondContact O-OG 2.71Å; P256-S273 VanDerWaalsContact O-OG 3.05Å; P256-K274 HydrophobicContact CB-CB 4.42Å; P256-K274 HydrophobicContact CB-CD 3.91Å; P256-K274 HydrophobicContact CB-CG 4.05Å; P256-K274 HydrophobicContact CG-CB 4.5Å; P256-K274 HydrophobicContact CG-CD 3.91Å; P256-K274 HydrophobicContact CG-CG 4.41Å; P256-K274 PolarHBondContact O-N 3.28Å
257I98.4Very high96.7Very high0 Ų052.1 Ų52.10%029%0.289CS..EExtended strand (participates in β ladder)trans-78.5124.4179-57.4171.8000108.3R213 T228 L233 G255 I260R213-I257 WeakPolarHBondContact CB-O 3.27Å; R213-I257 VanDerWaalsContact CD-O 3.31Å; R213-I257 WeakPolarHBondContact CD-O 3.4Å; T228-I257 PolarHBondContact O-N 3.09Å; T228-I257 VanDerWaalsContact O-N 3.17Å; L233-I257 HydrophobicContact CB-CD1 3.73Å; L233-I257 HydrophobicContact CD1-CD1 3.87Å; L233-I257 HydrophobicContact CD1-CG2 4.49Å; L233-I257 HydrophobicContact CG-CD1 4.43Å; G255-I257 PolarHBondContact O-N 3.03Å; I257-I260 HydrophobicContact CG2-CD1 4.14Å; I257-I260 HydrophobicContact CG2-CG1 3.9Å
258T97.7Very high97Very high0 Ų049.8 Ų49.80%027%0.267CS..EExtended strand (participates in β ladder)trans-95.7-43-174.650.80000111.2C214 P256 A272 S273 K274 V301 R348C214-T258 WeakPolarHBondContact CB-O 3.37Å; C214-T258 VanDerWaalsContact SG-C 3.52Å; C214-T258 PolarHBondContact SG-O 3.28Å; C214-T258 VanDerWaalsContact SG-O 3.41Å; P256-T258 PolarHBondContact O-N 2.61Å; T258-A272 PolarHBondContact N-O 3.08Å; T258-A272 WeakPolarHBondContact OG1-CB 3.33Å; T258-A272 PolarHBondContact OG1-O 2.81Å; T258-A272 VanDerWaalsContact OG1-O 3.09Å; T258-S273 PolarHBondContact OG1-N 3.19Å; T258-K274 HydrophobicContact CG2-CG 3.69Å; T258-V301 VanDerWaalsContact CB-O 3.32Å; T258-V301 WeakPolarHBondContact CB-O 3.19Å; T258-V301 WeakPolarHBondContact CG2-O 3.42Å; T258-V301 PolarHBondContact OG1-O 2.87Å; T258-R348 PolarHBondContact O-NH1 2.75Å; T258-R348 PolarHBondContact O-NH2 2.82Å
259D97.8Very high97.1Very high22 Ų2247.6 Ų47.612%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-146.4152.4-174.8-159.121000111.8S271 A272 S303 A304D259-S271 CarbonylContact O-C 3.59Å; D259-S271 WeakPolarHBondContact O-CA 3.23Å; D259-A272 HydrophobicContact CB-CB 4.07Å; D259-A272 PolarHBondContact O-N 3.38Å; D259-S303 WeakPolarHBondContact OD2-CA 3.42Å; D259-S303 VanDerWaalsContact OD2-CB 3.25Å; D259-S303 WeakPolarHBondContact OD2-CB 3.45Å; D259-A304 PolarHBondContact OD2-N 3.32Å
260I98.1Very high97.2Very high6 Ų642.4 Ų42.43%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-145135.8179.7-57.3157.5000108.5C214 A216 L225 G227 L233 I257 V270C214-I260 VanDerWaalsContact SG-CD1 3.57Å; A216-I260 HydrophobicContact CB-CB 4.42Å; A216-I260 HydrophobicContact CB-CG2 4.01Å; L225-I260 HydrophobicContact CB-CD1 4.33Å; L225-I260 HydrophobicContact CB-CG2 3.86Å; L225-I260 HydrophobicContact CD1-CG2 3.65Å; L225-I260 HydrophobicContact CG-CG2 4.43Å; G227-I260 VanDerWaalsContact N-CD1 3.28Å; L233-I260 HydrophobicContact CD1-CD1 3.32Å; L233-I260 HydrophobicContact CD1-CG1 3.8Å; I257-I260 HydrophobicContact CG2-CD1 4.14Å; I257-I260 HydrophobicContact CG2-CG1 3.9Å; I260-V270 VanDerWaalsContact CA-O 3.31Å; I260-V270 WeakPolarHBondContact CA-O 3.32Å
261Q97.7Very high97.3Very high66 Ų6638.7 Ų38.731%0.30819%0.19SC..EExtended strand (participates in β ladder)trans-146.4137.1171.6-159.9-170.842.100111.6F269 V270 V305 F306Q261-F269 CarbonylContact O-C 3.55Å; Q261-F269 VanDerWaalsContact O-CA 3.22Å; Q261-F269 WeakPolarHBondContact O-CA 3.41Å; Q261-F269 VanDerWaalsContact O-CB 3.3Å; Q261-F269 WeakPolarHBondContact O-CB 3.36Å; Q261-V270 HydrophobicContact CB-CG1 4.08Å; Q261-V270 PolarHBondContact N-O 3.24Å; Q261-V270 PolarHBondContact O-N 3.46Å; Q261-V305 VanDerWaalsContact OE1-CB 3.29Å; Q261-F306 WeakPolarHBondContact O-CE2 3.31Å
262Y98Very high97.3Very high22 Ų2238 Ų389%0.08619%0.186CC..EExtended strand (participates in β ladder)trans-82.4148.3167.3-85.4-84.2000111.5A216 F217 D218 L225 F269A216-Y262 HydrophobicContact CB-CD2 4.09Å; F217-Y262 WeakPolarHBondContact O-CD2 3.42Å; D218-Y262 HydrophobicContact CB-CD2 4.38Å; D218-Y262 HydrophobicContact CB-CE1 4.21Å; D218-Y262 HydrophobicContact CB-CE2 3.99Å; L225-Y262 HydrophobicContact CB-CE2 4.27Å; L225-Y262 HydrophobicContact CD1-CD2 4.06Å; L225-Y262 HydrophobicContact CD1-CE1 4.29Å; L225-Y262 HydrophobicContact CD1-CE2 3.29Å; L225-Y262 VanDerWaalsContact CD1-CZ 3.42Å; L225-Y262 WeakPolarHBondContact CD1-OH 3.4Å; L225-Y262 HydrophobicContact CG-CE2 3.55Å; L225-Y262 WeakPolarHBondContact CG-OH 3.46Å; Y262-F269 HydrophobicContact CD1-CB 3.69Å; Y262-F269 HydrophobicContact CD1-CD1 4.2Å; Y262-F269 HydrophobicContact CD1-CG 4.37Å; Y262-F269 HydrophobicContact CD2-CB 4.44Å; Y262-F269 HydrophobicContact CE1-CB 3.93Å; Y262-F269 AromaticContact CE1-CD1 3.59Å; Y262-F269 HydrophobicContact CE1-CD1 3.59Å; Y262-F269 HydrophobicContact CE1-CE1 4.47Å; Y262-F269 HydrophobicContact CE1-CG 4.1Å; Y262-F269 HydrophobicContact CG-CB 3.97Å
263T96.7Very high97.3Very high2 Ų237.4 Ų37.41%0.01218%0.183CC..  trans-66.4151.9157.656.60000110.1P219 T265 G266 R267 Y268 F306 S310P219-T263 WeakPolarHBondContact CG-O 3.27Å; T263-T265 PolarHBondContact O-N 3Å; T263-T265 VanDerWaalsContact O-N 3.09Å; T263-G266 PolarHBondContact O-N 3.49Å; T263-G266 PolarHBondContact OG1-N 2.93Å; T263-R267 PolarHBondContact OG1-N 3.49Å; T263-Y268 WeakPolarHBondContact CB-O 3.4Å; T263-Y268 WeakPolarHBondContact CG2-O 3.46Å; T263-Y268 PolarHBondContact N-O 3.36Å; T263-Y268 PolarHBondContact OG1-N 3.02Å; T263-Y268 VanDerWaalsContact OG1-N 3.17Å; T263-Y268 PolarHBondContact OG1-O 3.34Å; T263-F306 HydrophobicContact CG2-CD1 3.95Å; T263-F306 HydrophobicContact CG2-CD2 3.66Å; T263-F306 HydrophobicContact CG2-CE1 3.9Å; T263-F306 HydrophobicContact CG2-CE2 3.6Å; T263-F306 HydrophobicContact CG2-CG 3.82Å; T263-F306 HydrophobicContact CG2-CZ 3.72Å; T263-S310 WeakPolarHBondContact CG2-OG 3.33Å
264H93.4Very high97.3Very high139 Ų13940.7 Ų40.764%0.64420%0.197SC*.THydrogen-bonded Turntrans-59.2-24.9179.1-62.8-59.2000114.1P219P219-H264 WeakPolarHBondContact CB-O 3.32Å; P219-H264 VanDerWaalsContact CG-O 3.31Å; P219-H264 WeakPolarHBondContact CG-O 3.28Å
265T93.8Very high97.3Very high109 Ų10935.4 Ų35.467%0.66917%0.174SC*.THydrogen-bonded Turntrans-84.8-13.4177.262.60000113T263 R267T263-T265 PolarHBondContact O-N 3Å; T263-T265 VanDerWaalsContact O-N 3.09Å; T265-R267 PolarHBondContact O-N 2.85Å; T265-R267 WeakPolarHBondContact OG1-CB 3.1Å; T265-R267 PolarHBondContact OG1-N 2.86Å
266G95.3Very high97.3Very high15 Ų1534.9 Ų34.916%0.15517%0.169CC..SBendtrans72.70.5-174.700000113.2T263 Y268 G283T263-G266 PolarHBondContact O-N 3.49Å; T263-G266 PolarHBondContact OG1-N 2.93Å; G266-Y268 VanDerWaalsContact C-N 3.3Å; G266-Y268 PolarHBondContact O-N 3.29Å; G266-G283 WeakPolarHBondContact O-CA 3.27Å
267R95.8Very high97.3Very high156 Ų15633.4 Ų33.459%0.58916%0.159SC*.SBendtrans-63-39.2-178.9-178179.2174176.2-0.8111.9T263 T265 G283T263-R267 PolarHBondContact OG1-N 3.49Å; T265-R267 PolarHBondContact O-N 2.85Å; T265-R267 WeakPolarHBondContact OG1-CB 3.1Å; T265-R267 PolarHBondContact OG1-N 2.86Å; R267-G283 PolarHBondContact O-N 3Å
268Y97.5Very high97.3Very high54 Ų5433.4 Ų33.421%0.21216%0.159CC..EExtended strand (participates in β ladder)trans-133.2157.5176.7-56.7-67.3000111.1T263 G266 L280 W281 V289T263-Y268 WeakPolarHBondContact CB-O 3.4Å; T263-Y268 WeakPolarHBondContact CG2-O 3.46Å; T263-Y268 PolarHBondContact N-O 3.36Å; T263-Y268 PolarHBondContact OG1-N 3.02Å; T263-Y268 VanDerWaalsContact OG1-N 3.17Å; T263-Y268 PolarHBondContact OG1-O 3.34Å; G266-Y268 VanDerWaalsContact C-N 3.3Å; G266-Y268 PolarHBondContact O-N 3.29Å; Y268-L280 HydrophobicContact CG-CD1 4.28Å; Y268-W281 WeakPolarHBondContact CA-O 3.42Å; Y268-W281 WeakPolarHBondContact CB-O 3.45Å; Y268-W281 WeakPolarHBondContact CD1-O 3.46Å; Y268-V289 HydrophobicContact CE1-CG2 4.5Å
269F98.1Very high97.3Very high1 Ų134.2 Ų34.20%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-132.8157.8161.761.2-92.7000110.2L225 L233 Q261 Y262 W281L225-F269 HydrophobicContact CD1-CB 4.01Å; L225-F269 HydrophobicContact CD1-CD1 3.82Å; L225-F269 HydrophobicContact CD1-CD2 3.39Å; L225-F269 HydrophobicContact CD1-CE1 4.07Å; L225-F269 HydrophobicContact CD1-CE2 3.67Å; L225-F269 HydrophobicContact CD1-CG 3.46Å; L225-F269 VanDerWaalsContact CD1-CG 3.46Å; L225-F269 HydrophobicContact CD1-CZ 3.99Å; L225-F269 HydrophobicContact CD2-CE2 4.44Å; L225-F269 HydrophobicContact CD2-CZ 4.27Å; L233-F269 HydrophobicContact CD2-CD2 4.18Å; L233-F269 HydrophobicContact CD2-CE2 3.27Å; L233-F269 HydrophobicContact CD2-CZ 3.92Å; Q261-F269 CarbonylContact O-C 3.55Å; Q261-F269 VanDerWaalsContact O-CA 3.22Å; Q261-F269 WeakPolarHBondContact O-CA 3.41Å; Q261-F269 VanDerWaalsContact O-CB 3.3Å; Q261-F269 WeakPolarHBondContact O-CB 3.36Å; Y262-F269 HydrophobicContact CD1-CB 3.69Å; Y262-F269 HydrophobicContact CD1-CD1 4.2Å; Y262-F269 HydrophobicContact CD1-CG 4.37Å; Y262-F269 HydrophobicContact CD2-CB 4.44Å; Y262-F269 HydrophobicContact CE1-CB 3.93Å; Y262-F269 AromaticContact CE1-CD1 3.59Å; Y262-F269 HydrophobicContact CE1-CD1 3.59Å; Y262-F269 HydrophobicContact CE1-CE1 4.47Å; Y262-F269 HydrophobicContact CE1-CG 4.1Å; Y262-F269 HydrophobicContact CG-CB 3.97Å; F269-W281 HydrophobicContact CD1-CB 3.97Å; F269-W281 HydrophobicContact CD2-CB 3.62Å; F269-W281 AromaticContact CD2-CD1 3.45Å; F269-W281 VanDerWaalsContact CD2-CD1 3.45Å; F269-W281 AromaticContact CD2-CG 3.65Å; F269-W281 HydrophobicContact CD2-CG 3.65Å; F269-W281 HydrophobicContact CE1-CB 3.58Å; F269-W281 HydrophobicContact CE1-CG 4.37Å; F269-W281 HydrophobicContact CE2-CB 3.17Å; F269-W281 AromaticContact CE2-CD1 3.24Å; F269-W281 AromaticContact CE2-CD2 3.65Å; F269-W281 HydrophobicContact CE2-CD2 3.65Å; F269-W281 HydrophobicContact CE2-CE3 4.38Å; F269-W281 AromaticContact CE2-CG 3.06Å; F269-W281 HydrophobicContact CE2-CG 3.06Å; F269-W281 AromaticContact CE2-NE1 3.87Å; F269-W281 HydrophobicContact CG-CB 4Å; F269-W281 HydrophobicContact CG-CG 4.49Å; F269-W281 HydrophobicContact CZ-CB 3.16Å; F269-W281 AromaticContact CZ-CD2 3.99Å; F269-W281 HydrophobicContact CZ-CD2 3.99Å; F269-W281 HydrophobicContact CZ-CE3 4.33Å; F269-W281 AromaticContact CZ-CG 3.52Å; F269-W281 HydrophobicContact CZ-CG 3.52Å; F269-W281 PolarHBondContact N-O 2.78Å; F269-W281 VanDerWaalsContact N-O 3.1Å; F269-W281 PolarHBondContact O-N 3.17Å
270V98.3Very high97.3Very high0 Ų033.7 Ų33.70%016%0.16CC..EExtended strand (participates in β ladder)trans-115145.6177.565.30000109.2I260 Q261 I278 K279 A304 F306 I313I260-V270 VanDerWaalsContact CA-O 3.31Å; I260-V270 WeakPolarHBondContact CA-O 3.32Å; Q261-V270 HydrophobicContact CB-CG1 4.08Å; Q261-V270 PolarHBondContact N-O 3.24Å; Q261-V270 PolarHBondContact O-N 3.46Å; V270-I278 HydrophobicContact CG2-CG2 3.31Å; V270-K279 CarbonylContact C-O 3.5Å; V270-K279 VanDerWaalsContact CA-O 3.3Å; V270-K279 WeakPolarHBondContact CA-O 3.49Å; V270-K279 WeakPolarHBondContact CG2-O 3.2Å; V270-A304 HydrophobicContact CG1-CB 4.3Å; V270-A304 WeakPolarHBondContact CG1-O 3.38Å; V270-A304 HydrophobicContact CG2-CB 3.89Å; V270-F306 HydrophobicContact CB-CD2 4.43Å; V270-F306 HydrophobicContact CB-CE1 4.41Å; V270-F306 HydrophobicContact CB-CE2 3.61Å; V270-F306 HydrophobicContact CB-CZ 3.61Å; V270-F306 HydrophobicContact CG1-CD2 3.87Å; V270-F306 HydrophobicContact CG1-CE2 3.47Å; V270-F306 VanDerWaalsContact CG1-CE2 3.47Å; V270-F306 HydrophobicContact CG1-CZ 3.97Å; V270-I313 HydrophobicContact CB-CD1 4.33Å; V270-I313 HydrophobicContact CG2-CD1 3.74Å; V270-I313 HydrophobicContact CG2-CG1 4.46Å; V270-I313 HydrophobicContact CG2-CG2 4.48Å
271S98.4Very high97.3Very high0 Ų033.5 Ų33.50%016%0.159CC..EExtended strand (participates in β ladder)trans-130.5144.6166.263.10000111.8H253 D259 I278 K279 W281H253-S271 PolarHBondContact CD2-OG 2.73Å; H253-S271 PolarHBondContact NE2-OG 2.98Å; D259-S271 CarbonylContact O-C 3.59Å; D259-S271 WeakPolarHBondContact O-CA 3.23Å; S271-I278 CarbonylContact O-C 3.54Å; S271-I278 WeakPolarHBondContact O-CA 3.32Å; S271-K279 PolarHBondContact N-O 3.4Å; S271-K279 PolarHBondContact O-N 3.02Å; S271-W281 PolarHBondContact OG-NE1 3.47Å
272A98.3Very high97.2Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-110.2153.5172.700000110.4T258 D259 V301 A304T258-A272 PolarHBondContact N-O 3.08Å; T258-A272 WeakPolarHBondContact OG1-CB 3.33Å; T258-A272 PolarHBondContact OG1-O 2.81Å; T258-A272 VanDerWaalsContact OG1-O 3.09Å; D259-A272 HydrophobicContact CB-CB 4.07Å; D259-A272 PolarHBondContact O-N 3.38Å; A272-V301 HydrophobicContact CB-CB 3.99Å; A272-V301 HydrophobicContact CB-CG1 3.7Å; A272-A304 HydrophobicContact CB-CB 3.94Å
273S98.3Very high97.1Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-144159.2179.8175.50000113.5H253 G255 P256 T258 D275 G276 S277 V301H253-S273 VanDerWaalsContact CG-CB 3.49Å; H253-S273 WeakPolarHBondContact ND1-CB 3.48Å; G255-S273 PolarHBondContact O-OG 2.76Å; P256-S273 WeakPolarHBondContact O-CA 3.31Å; P256-S273 PolarHBondContact O-OG 2.71Å; P256-S273 VanDerWaalsContact O-OG 3.05Å; T258-S273 PolarHBondContact OG1-N 3.19Å; S273-D275 VanDerWaalsContact CB-OD1 3.3Å; S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact O-N 3.06Å; S273-D275 VanDerWaalsContact OG-CG 3.28Å; S273-D275 PolarHBondContact OG-N 2.84Å; S273-D275 VanDerWaalsContact OG-N 3.11Å; S273-D275 PolarHBondContact OG-OD1 2.94Å; S273-D275 PolarHBondContact OG-OD2 3.44Å; S273-G276 PolarHBondContact O-N 3.16Å; S273-S277 PolarHBondContact N-O 2.8Å; S273-V301 PolarHBondContact O-N 2.83Å
274K97.8Very high96.9Very high69 Ų6938.1 Ų38.130%0.320%0.195SC..THydrogen-bonded Turntrans-64-14167.4-66.5-163.4-175.6171.60113.7P256 T258 G276 E300P256-K274 HydrophobicContact CB-CB 4.42Å; P256-K274 HydrophobicContact CB-CD 3.91Å; P256-K274 HydrophobicContact CB-CG 4.05Å; P256-K274 HydrophobicContact CG-CB 4.5Å; P256-K274 HydrophobicContact CG-CD 3.91Å; P256-K274 HydrophobicContact CG-CG 4.41Å; P256-K274 PolarHBondContact O-N 3.28Å; T258-K274 HydrophobicContact CG2-CG 3.69Å; K274-G276 PolarHBondContact O-N 3.23Å; K274-E300 HydrophobicContact CB-CB 4.41Å; K274-E300 HydrophobicContact CB-CG 3.91Å; K274-E300 WeakPolarHBondContact CD-OE2 3.49Å; K274-E300 HydrophobicContact CG-CB 4.42Å; K274-E300 HydrophobicContact CG-CG 4.09Å; K274-E300 WeakPolarHBondContact CG-OE2 3.45Å
275D97.9Very high97Very high40 Ų4034.3 Ų34.321%0.21418%0.184CC..THydrogen-bonded Turntrans-71.1-2.9172.668.916.3000113.8H253 Q254 S273 S277H253-D275 WeakPolarHBondContact CA-OD2 3.49Å; H253-D275 WeakPolarHBondContact CB-OD2 3.31Å; H253-D275 IonicContact CG-OD2 2.78Å; H253-D275 IonicContact ND1-OD1 2.72Å; H253-D275 IonicContact ND1-OD2 3.61Å; H253-D275 PolarHBondContact ND1-OD2 2.92Å; Q254-D275 HydrophobicContact CB-CB 4.15Å; Q254-D275 PolarHBondContact N-OD2 3.44Å; S273-D275 VanDerWaalsContact CB-OD1 3.3Å; S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact O-N 3.06Å; S273-D275 VanDerWaalsContact OG-CG 3.28Å; S273-D275 PolarHBondContact OG-N 2.84Å; S273-D275 VanDerWaalsContact OG-N 3.11Å; S273-D275 PolarHBondContact OG-OD1 2.94Å; S273-D275 PolarHBondContact OG-OD2 3.44Å; D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 VanDerWaalsContact CG-OG 3.27Å; D275-S277 WeakPolarHBondContact OD1-CA 3.16Å; D275-S277 VanDerWaalsContact OD1-CB 3.28Å; D275-S277 WeakPolarHBondContact OD1-CB 3.28Å; D275-S277 PolarHBondContact OD1-N 2.82Å; D275-S277 PolarHBondContact OD1-OG 2.94Å; D275-S277 PolarHBondContact OD2-OG 3.05Å
276G97.1Very high97Very high0 Ų030.1 Ų30.10%016%0.159CC..SBendtrans82.19.7178.400000114.2S273 K274 R294 A295 A299S273-G276 PolarHBondContact O-N 3.16Å; K274-G276 PolarHBondContact O-N 3.23Å; G276-R294 CarbonylContact O-C 3.58Å; G276-R294 VanDerWaalsContact O-CA 3.31Å; G276-R294 WeakPolarHBondContact O-CA 3.4Å; G276-R294 PolarHBondContact O-N 2.98Å; G276-A295 PolarHBondContact O-N 2.93Å; G276-A299 VanDerWaalsContact CA-O 3.23Å; G276-A299 WeakPolarHBondContact CA-O 3.41Å
277S98Very high97.1Very high1 Ų133.9 Ų33.91%0.00717%0.168CC..  trans-105.2154.1175.773.10000113H253 S273 D275 F292H253-S277 PolarHBondContact CE1-OG 3.39Å; H253-S277 VanDerWaalsContact CE1-OG 3.29Å; H253-S277 PolarHBondContact ND1-OG 2.89Å; H253-S277 VanDerWaalsContact ND1-OG 3.09Å; S273-S277 PolarHBondContact N-O 2.8Å; D275-S277 VanDerWaalsContact C-N 3.33Å; D275-S277 VanDerWaalsContact CG-OG 3.27Å; D275-S277 WeakPolarHBondContact OD1-CA 3.16Å; D275-S277 VanDerWaalsContact OD1-CB 3.28Å; D275-S277 WeakPolarHBondContact OD1-CB 3.28Å; D275-S277 PolarHBondContact OD1-N 2.82Å; D275-S277 PolarHBondContact OD1-OG 2.94Å; D275-S277 PolarHBondContact OD2-OG 3.05Å; S277-F292 WeakPolarHBondContact CA-O 3.36Å
278I98.3Very high97.2Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-113.4132.6162.7-56.7161.1000106.5V270 S271 T291 F292 A295 V301 A304 I313 S315V270-I278 HydrophobicContact CG2-CG2 3.31Å; S271-I278 CarbonylContact O-C 3.54Å; S271-I278 WeakPolarHBondContact O-CA 3.32Å; I278-T291 CarbonylContact O-C 3.47Å; I278-T291 WeakPolarHBondContact O-CA 3.31Å; I278-F292 HydrophobicContact CB-CB 4.09Å; I278-F292 HydrophobicContact CB-CD2 4.12Å; I278-F292 HydrophobicContact CB-CG 4.44Å; I278-F292 HydrophobicContact CG2-CD2 4.25Å; I278-F292 PolarHBondContact N-O 2.96Å; I278-F292 PolarHBondContact O-N 2.83Å; I278-A295 HydrophobicContact CD1-CB 3.61Å; I278-A295 HydrophobicContact CG1-CB 3.95Å; I278-V301 HydrophobicContact CD1-CG1 4.23Å; I278-V301 HydrophobicContact CG1-CB 4.47Å; I278-V301 HydrophobicContact CG1-CG1 3.85Å; I278-V301 HydrophobicContact CG1-CG2 4.17Å; I278-A304 HydrophobicContact CG2-CB 4.09Å; I278-I313 HydrophobicContact CG2-CD1 4.36Å; I278-S315 WeakPolarHBondContact CD1-OG 3.27Å
279K98.2Very high97.1Very high17 Ų1729 Ų297%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-115.5134.9177.9-73-179.5174.2-800110.4D251 V270 S271 W281 T291D251-K279 VanDerWaalsContact O-CD 3.23Å; D251-K279 WeakPolarHBondContact O-CD 3.4Å; D251-K279 WeakPolarHBondContact O-CE 3.38Å; D251-K279 PolarHBondContact O-NZ 2.94Å; V270-K279 CarbonylContact C-O 3.5Å; V270-K279 VanDerWaalsContact CA-O 3.3Å; V270-K279 WeakPolarHBondContact CA-O 3.49Å; V270-K279 WeakPolarHBondContact CG2-O 3.2Å; S271-K279 PolarHBondContact N-O 3.4Å; S271-K279 PolarHBondContact O-N 3.02Å; K279-W281 HydrophobicContact CB-CZ2 3.92Å; K279-W281 VanDerWaalsContact CB-NE1 3.32Å; K279-W281 HydrophobicContact CD-CH2 4.24Å; K279-W281 HydrophobicContact CD-CZ2 3.61Å; K279-W281 HydrophobicContact CG-CZ2 4.43Å; K279-W281 VanDerWaalsContact O-CD1 3.32Å; K279-W281 PolarHBondContact O-NE1 2.79Å; K279-T291 HydrophobicContact CG-CG2 4.12Å; K279-T291 PolarHBondContact NZ-OG1 3.25Å; K279-T291 VanDerWaalsContact NZ-OG1 3.09Å
280L98Very high97Very high11 Ų1130.6 Ų30.66%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-101.5134.1169.7-178.370.6000108.4Y268 V289 N290 F306 L327Y268-L280 HydrophobicContact CG-CD1 4.28Å; L280-V289 PolarHBondContact O-N 2.96Å; L280-N290 HydrophobicContact CB-CB 4.15Å; L280-N290 HydrophobicContact CD2-CB 4.42Å; L280-N290 PolarHBondContact N-O 2.73Å; L280-N290 PolarHBondContact O-N 3.36Å; L280-F306 HydrophobicContact CD1-CE1 3.8Å; L280-F306 HydrophobicContact CD1-CZ 3.57Å; L280-L327 HydrophobicContact CD2-CD2 4.21Å
281W98.1Very high97Very high2 Ų232.7 Ų32.71%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-127.9146.4-173.8-51.480000110.9L233 D251 Y268 F269 S271 K279 R287 C288L233-W281 HydrophobicContact CD2-CD2 4.46Å; L233-W281 HydrophobicContact CD2-CZ2 4.31Å; D251-W281 HydrophobicContact CB-CH2 4.22Å; D251-W281 HydrophobicContact CB-CZ3 3.77Å; D251-W281 WeakPolarHBondContact O-CH2 3.5Å; Y268-W281 WeakPolarHBondContact CA-O 3.42Å; Y268-W281 WeakPolarHBondContact CB-O 3.45Å; Y268-W281 WeakPolarHBondContact CD1-O 3.46Å; F269-W281 HydrophobicContact CD1-CB 3.97Å; F269-W281 HydrophobicContact CD2-CB 3.62Å; F269-W281 AromaticContact CD2-CD1 3.45Å; F269-W281 VanDerWaalsContact CD2-CD1 3.45Å; F269-W281 AromaticContact CD2-CG 3.65Å; F269-W281 HydrophobicContact CD2-CG 3.65Å; F269-W281 HydrophobicContact CE1-CB 3.58Å; F269-W281 HydrophobicContact CE1-CG 4.37Å; F269-W281 HydrophobicContact CE2-CB 3.17Å; F269-W281 AromaticContact CE2-CD1 3.24Å; F269-W281 AromaticContact CE2-CD2 3.65Å; F269-W281 HydrophobicContact CE2-CD2 3.65Å; F269-W281 HydrophobicContact CE2-CE3 4.38Å; F269-W281 AromaticContact CE2-CG 3.06Å; F269-W281 HydrophobicContact CE2-CG 3.06Å; F269-W281 AromaticContact CE2-NE1 3.87Å; F269-W281 HydrophobicContact CG-CB 4Å; F269-W281 HydrophobicContact CG-CG 4.49Å; F269-W281 HydrophobicContact CZ-CB 3.16Å; F269-W281 AromaticContact CZ-CD2 3.99Å; F269-W281 HydrophobicContact CZ-CD2 3.99Å; F269-W281 HydrophobicContact CZ-CE3 4.33Å; F269-W281 AromaticContact CZ-CG 3.52Å; F269-W281 HydrophobicContact CZ-CG 3.52Å; F269-W281 PolarHBondContact N-O 2.78Å; F269-W281 VanDerWaalsContact N-O 3.1Å; F269-W281 PolarHBondContact O-N 3.17Å; S271-W281 PolarHBondContact OG-NE1 3.47Å; K279-W281 HydrophobicContact CB-CZ2 3.92Å; K279-W281 VanDerWaalsContact CB-NE1 3.32Å; K279-W281 HydrophobicContact CD-CH2 4.24Å; K279-W281 HydrophobicContact CD-CZ2 3.61Å; K279-W281 HydrophobicContact CG-CZ2 4.43Å; K279-W281 VanDerWaalsContact O-CD1 3.32Å; K279-W281 PolarHBondContact O-NE1 2.79Å; W281-R287 VanDerWaalsContact CA-O 3.31Å; W281-R287 WeakPolarHBondContact CA-O 3.06Å; W281-C288 HydrophobicContact CD2-CB 4.35Å; W281-C288 HydrophobicContact CE3-CB 3.94Å; W281-C288 HydrophobicContact CH2-CB 4.46Å; W281-C288 HydrophobicContact CZ3-CB 4Å
282D96.5Very high96.9Very high41 Ų4133.2 Ų33.222%0.21919%0.186CC..EExtended strand (participates in β ladder)trans-73.8124.3169.7-179.7-101.6000109.3V284 S285 C286 R287 V289D282-V284 PolarHBondContact O-N 3.41Å; D282-V284 PolarHBondContact OD1-N 3.5Å; D282-S285 WeakPolarHBondContact CB-OG 3.22Å; D282-S285 WeakPolarHBondContact OD1-CB 3.1Å; D282-S285 PolarHBondContact OD1-N 3.27Å; D282-S285 PolarHBondContact OD1-OG 3.25Å; D282-C286 VanDerWaalsContact O-CA 3.24Å; D282-C286 WeakPolarHBondContact O-CA 3.46Å; D282-C286 PolarHBondContact O-N 3.02Å; D282-R287 PolarHBondContact N-O 2.94Å; D282-V289 HydrophobicContact CB-CG2 3.7Å
283G94.9Very high96.8Very high15 Ų1539.3 Ų39.316%0.15522%0.215CC..THydrogen-bonded Turntrans-72.1-13.9-173.200000114.8G266 R267G266-G283 WeakPolarHBondContact O-CA 3.27Å; R267-G283 PolarHBondContact O-N 3Å
284V92.9Very high96.6Very high131 Ų13146.6 Ų46.679%0.79424%0.242SC*.THydrogen-bonded Turntrans-95.6-51.8179.1-179.40000110.7D282D282-V284 PolarHBondContact O-N 3.41Å; D282-V284 PolarHBondContact OD1-N 3.5Å
285S94.5Very high96.5Very high59 Ų5943.4 Ų43.441%0.41323%0.228SC..THydrogen-bonded Turntrans-86.9-11.2-175.964.90000114D282 R287D282-S285 WeakPolarHBondContact CB-OG 3.22Å; D282-S285 WeakPolarHBondContact OD1-CB 3.1Å; D282-S285 PolarHBondContact OD1-N 3.27Å; D282-S285 PolarHBondContact OD1-OG 3.25Å; S285-R287 PolarHBondContact O-N 3.31Å; S285-R287 VanDerWaalsContact O-N 3.15Å; S285-R287 WeakPolarHBondContact OG-CG 3.49Å
286C94.7Very high96.4Very high21 Ų2141.5 Ų41.514%0.14222%0.218CC..  trans54.825.6-173.1-67.10000113.7L235 S246 D282L235-C286 VanDerWaalsContact CD1-SG 3.59Å; S246-C286 WeakPolarHBondContact CB-O 3.39Å; D282-C286 VanDerWaalsContact O-CA 3.24Å; D282-C286 WeakPolarHBondContact O-CA 3.46Å; D282-C286 PolarHBondContact O-N 3.02Å
287R97.4Very high96.2Very high93 Ų9347 Ų4735%0.35125%0.248SC..  trans-88.2143.2176.4-63.7-59.7-51.4-67.3-11.2110.5D251 W281 D282 S285 V289D251-R287 IonicContact OD1-NH2 2.95Å; D251-R287 PolarHBondContact OD1-NH2 3.01Å; D251-R287 WeakPolarHBondContact OD2-CA 3.34Å; D251-R287 IonicContact OD2-CZ 3.32Å; D251-R287 IonicContact OD2-NE 3.42Å; D251-R287 PolarHBondContact OD2-NE 2.75Å; D251-R287 IonicContact OD2-NH2 3.26Å; W281-R287 VanDerWaalsContact CA-O 3.31Å; W281-R287 WeakPolarHBondContact CA-O 3.06Å; D282-R287 PolarHBondContact N-O 2.94Å; S285-R287 PolarHBondContact O-N 3.31Å; S285-R287 VanDerWaalsContact O-N 3.15Å; S285-R287 WeakPolarHBondContact OG-CG 3.49Å; R287-V289 PolarHBondContact O-N 2.68Å
288C97.5Very high96Very high23 Ų2348.7 Ų48.716%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-71.3118.8172.5-175.80000109.2D251 W281 N290 T291D251-C288 HydrophobicContact CB-CB 3.62Å; D251-C288 PolarHBondContact OD2-N 2.72Å; D251-C288 VanDerWaalsContact OD2-N 3.07Å; W281-C288 HydrophobicContact CD2-CB 4.35Å; W281-C288 HydrophobicContact CE3-CB 3.94Å; W281-C288 HydrophobicContact CH2-CB 4.46Å; W281-C288 HydrophobicContact CZ3-CB 4Å; C288-N290 PolarHBondContact SG-O 2.8Å; C288-N290 VanDerWaalsContact SG-O 3.37Å; C288-T291 PolarHBondContact SG-OG1 3.14Å; C288-T291 VanDerWaalsContact SG-OG1 3.4Å
289V96Very high95.8Very high84 Ų8449.7 Ų49.751%0.50927%0.273SS..EExtended strand (participates in β ladder)trans-89.3-34.7-179.8178.50000110.4Y268 L280 D282 R287Y268-V289 HydrophobicContact CE1-CG2 4.5Å; L280-V289 PolarHBondContact O-N 2.96Å; D282-V289 HydrophobicContact CB-CG2 3.7Å; R287-V289 PolarHBondContact O-N 2.68Å
290N96.5Very high95.7Very high35 Ų3551.3 Ų51.319%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-157.4151.6-175.7-174.125.6000111.5L280 C288 N330L280-N290 HydrophobicContact CB-CB 4.15Å; L280-N290 HydrophobicContact CD2-CB 4.42Å; L280-N290 PolarHBondContact N-O 2.73Å; L280-N290 PolarHBondContact O-N 3.36Å; C288-N290 PolarHBondContact SG-O 2.8Å; C288-N290 VanDerWaalsContact SG-O 3.37Å; N290-N330 PolarHBondContact ND2-ND2 3.09Å; N290-N330 VanDerWaalsContact ND2-ND2 3.16Å; N290-N330 PolarHBondContact ND2-OD1 3.39Å; N290-N330 PolarHBondContact OD1-ND2 2.98Å
291T96.9Very high95.6Very high44 Ų4450.8 Ų50.827%0.2728%0.278SS..EExtended strand (participates in β ladder)trans-133.5119178.7-62.30000109.8I278 K279 C288 Q293I278-T291 CarbonylContact O-C 3.47Å; I278-T291 WeakPolarHBondContact O-CA 3.31Å; K279-T291 HydrophobicContact CG-CG2 4.12Å; K279-T291 PolarHBondContact NZ-OG1 3.25Å; K279-T291 VanDerWaalsContact NZ-OG1 3.09Å; C288-T291 PolarHBondContact SG-OG1 3.14Å; C288-T291 VanDerWaalsContact SG-OG1 3.4Å; T291-Q293 PolarHBondContact O-N 2.77Å; T291-Q293 VanDerWaalsContact O-N 3.16Å
292F96.9Very high95.5Very high11 Ų1150.7 Ų50.75%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-8287.8168.3-59.3-98.6000108.2S277 I278 A295 I313 W325 L327 N330S277-F292 WeakPolarHBondContact CA-O 3.36Å; I278-F292 HydrophobicContact CB-CB 4.09Å; I278-F292 HydrophobicContact CB-CD2 4.12Å; I278-F292 HydrophobicContact CB-CG 4.44Å; I278-F292 HydrophobicContact CG2-CD2 4.25Å; I278-F292 PolarHBondContact N-O 2.96Å; I278-F292 PolarHBondContact O-N 2.83Å; F292-A295 HydrophobicContact CB-CB 4.2Å; F292-I313 HydrophobicContact CE2-CD1 3.98Å; F292-I313 HydrophobicContact CZ-CD1 4.46Å; F292-W325 HydrophobicContact CD1-CD2 4.06Å; F292-W325 AromaticContact CD1-CE3 3.74Å; F292-W325 HydrophobicContact CD1-CE3 3.74Å; F292-W325 HydrophobicContact CD1-CG 4.4Å; F292-W325 HydrophobicContact CD1-CZ3 4.29Å; F292-W325 HydrophobicContact CE1-CB 3.94Å; F292-W325 HydrophobicContact CE1-CD2 4.32Å; F292-W325 HydrophobicContact CE1-CE3 4.07Å; F292-W325 HydrophobicContact CE1-CG 4.29Å; F292-W325 HydrophobicContact CZ-CB 4.39Å; F292-L327 HydrophobicContact CE2-CD2 4.25Å; F292-L327 HydrophobicContact CZ-CD2 3.98Å; F292-N330 HydrophobicContact CD1-CB 4.46Å; F292-N330 HydrophobicContact CE1-CB 3.93Å
293Q95.3Very high95.5Very high129 Ų12948.8 Ų48.860%0.60327%0.268SS*.THydrogen-bonded Turntrans-68.3135.4-178.9-167.7604100110.4T291 A295T291-Q293 PolarHBondContact O-N 2.77Å; T291-Q293 VanDerWaalsContact O-N 3.16Å; Q293-A295 PolarHBondContact O-N 2.81Å
294R95.5Very high95.7Very high152 Ų15248.1 Ų48.157%0.57426%0.261SS*.THydrogen-bonded Turntrans5142.9179.9-60.4172.767.8836.7112.1G276 H296 D297G276-R294 CarbonylContact O-C 3.58Å; G276-R294 VanDerWaalsContact O-CA 3.31Å; G276-R294 WeakPolarHBondContact O-CA 3.4Å; G276-R294 PolarHBondContact O-N 2.98Å; R294-H296 PolarHBondContact O-N 3.43Å; R294-D297 PolarHBondContact NH2-O 3.4Å; R294-D297 PolarHBondContact O-N 3.31Å
295A95.7Very high95.9Very high2 Ų242.9 Ų42.92%0.01723%0.229CC..THydrogen-bonded Turntrans-51.4-37.8-175.800000112.4G276 I278 F292 Q293 V301 K323 W325G276-A295 PolarHBondContact O-N 2.93Å; I278-A295 HydrophobicContact CD1-CB 3.61Å; I278-A295 HydrophobicContact CG1-CB 3.95Å; F292-A295 HydrophobicContact CB-CB 4.2Å; Q293-A295 PolarHBondContact O-N 2.81Å; A295-V301 HydrophobicContact CB-CG2 4.39Å; A295-K323 WeakPolarHBondContact O-CD 3.44Å; A295-K323 PolarHBondContact O-NZ 3.04Å; A295-W325 HydrophobicContact CB-CH2 4.2Å; A295-W325 HydrophobicContact CB-CZ2 3.75Å; A295-W325 VanDerWaalsContact O-CH2 3.31Å; A295-W325 WeakPolarHBondContact O-CH2 3.35Å; A295-W325 WeakPolarHBondContact O-CZ2 3.29Å
296H94.9Very high96Very high1 Ų140.8 Ų40.81%0.00521%0.213CC..THydrogen-bonded Turntrans-111.946.2176-72.8-86.8000111.6R294 G298 A299 S315 G317 D319 V321R294-H296 PolarHBondContact O-N 3.43Å; H296-G298 PolarHBondContact O-N 3.12Å; H296-G298 VanDerWaalsContact O-N 3.07Å; H296-A299 HydrophobicContact CB-CB 4.32Å; H296-A299 WeakPolarHBondContact O-CB 3.27Å; H296-A299 PolarHBondContact O-N 2.96Å; H296-S315 PolarHBondContact NE2-OG 3.44Å; H296-G317 PolarHBondContact CE1-N 2.86Å; H296-G317 VanDerWaalsContact CE1-N 3.27Å; H296-G317 PolarHBondContact ND1-N 2.84Å; H296-D319 VanDerWaalsContact CB-OD2 3.31Å; H296-D319 WeakPolarHBondContact CB-OD2 3.32Å; H296-D319 IonicContact CE1-OD1 3.79Å; H296-D319 IonicContact CG-OD1 2.87Å; H296-D319 IonicContact CG-OD2 3.01Å; H296-D319 VanDerWaalsContact ND1-CG 3.3Å; H296-D319 IonicContact ND1-OD1 3.29Å; H296-D319 PolarHBondContact ND1-OD1 3.5Å; H296-D319 IonicContact ND1-OD2 3.02Å; H296-D319 PolarHBondContact ND1-OD2 3.16Å; H296-V321 PolarHBondContact CE1-O 2.98Å; H296-V321 PolarHBondContact ND1-O 2.96Å
297D93.4Very high96.1Very high116 Ų11639.9 Ų39.962%0.6221%0.207SC*.THydrogen-bonded Turntrans57.327.3179.3-62.4-59.8000114.1R294 K323R294-D297 PolarHBondContact NH2-O 3.4Å; R294-D297 PolarHBondContact O-N 3.31Å; D297-K323 IonicContact OD2-NZ 2.75Å
298G93.5Very high95.9Very high35 Ų3539 Ų3936%0.36121%0.205SC..THydrogen-bonded Turntrans88.5-2.7-177.400000114.5H296H296-G298 PolarHBondContact O-N 3.12Å; H296-G298 VanDerWaalsContact O-N 3.07Å
299A94.2Very high95.6Very high22 Ų2240 Ų4018%0.18221%0.209CC..SBendtrans-67.3153.2167.500000110.9G276 H296 V301 K318 D319G276-A299 VanDerWaalsContact CA-O 3.23Å; G276-A299 WeakPolarHBondContact CA-O 3.41Å; H296-A299 HydrophobicContact CB-CB 4.32Å; H296-A299 WeakPolarHBondContact O-CB 3.27Å; H296-A299 PolarHBondContact O-N 2.96Å; A299-V301 PolarHBondContact O-N 2.87Å; A299-K318 HydrophobicContact CB-CB 4.44Å; A299-D319 HydrophobicContact CB-CB 4.18Å
300E95.8Very high95.6Very high50 Ų5037.3 Ų37.323%0.23419%0.194CC..PPolyproline II helixtrans-55132.9176.6-60.5177.5-143.400110.9K274 G317 K318K274-E300 HydrophobicContact CB-CB 4.41Å; K274-E300 HydrophobicContact CB-CG 3.91Å; K274-E300 WeakPolarHBondContact CD-OE2 3.49Å; K274-E300 HydrophobicContact CG-CB 4.42Å; K274-E300 HydrophobicContact CG-CG 4.09Å; K274-E300 WeakPolarHBondContact CG-OE2 3.45Å; E300-G317 CarbonylContact O-C 3.6Å; E300-G317 WeakPolarHBondContact O-CA 3.48Å; E300-K318 HydrophobicContact CB-CB 4.41Å; E300-K318 HydrophobicContact CB-CD 3.93Å; E300-K318 HydrophobicContact CB-CG 4.05Å; E300-K318 VanDerWaalsContact CD-CE 3.49Å; E300-K318 HydrophobicContact CG-CD 4.12Å; E300-K318 PolarHBondContact O-N 3.17Å; E300-K318 IonicContact OE1-NZ 3.05Å; E300-K318 PolarHBondContact OE1-NZ 2.73Å; E300-K318 WeakPolarHBondContact OE2-CE 3.41Å; E300-K318 IonicContact OE2-NZ 3.02Å; E300-K318 PolarHBondContact OE2-NZ 3.16Å
301V97.5Very high95.4Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-86.5125.7171.6-167.50000108.2T258 A272 S273 I278 A295 A299T258-V301 VanDerWaalsContact CB-O 3.32Å; T258-V301 WeakPolarHBondContact CB-O 3.19Å; T258-V301 WeakPolarHBondContact CG2-O 3.42Å; T258-V301 PolarHBondContact OG1-O 2.87Å; A272-V301 HydrophobicContact CB-CB 3.99Å; A272-V301 HydrophobicContact CB-CG1 3.7Å; S273-V301 PolarHBondContact O-N 2.83Å; I278-V301 HydrophobicContact CD1-CG1 4.23Å; I278-V301 HydrophobicContact CG1-CB 4.47Å; I278-V301 HydrophobicContact CG1-CG1 3.85Å; I278-V301 HydrophobicContact CG1-CG2 4.17Å; A295-V301 HydrophobicContact CB-CG2 4.39Å; A299-V301 PolarHBondContact O-N 2.87Å
302C96Very high95.4Very high1 Ų136.4 Ų36.41%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-91.8-38-173.7-65.50000113.7C316 R348 I349C302-C316 WeakPolarHBondContact CB-O 3.49Å; C302-C316 PolarHBondContact N-O 3.12Å; C302-R348 HydrophobicContact CB-CB 4.33Å; C302-R348 PolarHBondContact O-NH2 2.87Å; C302-I349 WeakPolarHBondContact CB-O 3.29Å
303S96.1Very high95.4Very high1 Ų135.9 Ų35.91%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-148.6152.7179.770.50000111.5D259 S315 C316 A351D259-S303 WeakPolarHBondContact OD2-CA 3.42Å; D259-S303 VanDerWaalsContact OD2-CB 3.25Å; D259-S303 WeakPolarHBondContact OD2-CB 3.45Å; S303-S315 CarbonylContact O-C 3.51Å; S303-S315 VanDerWaalsContact O-CA 3.24Å; S303-S315 WeakPolarHBondContact O-CA 3.32Å; S303-C316 PolarHBondContact N-O 2.87Å; S303-C316 PolarHBondContact O-N 2.98Å; S303-C316 WeakPolarHBondContact OG-CB 3.2Å; S303-A351 PolarHBondContact OG-N 2.84Å
304A97.7Very high95.5Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-149.6119.8171.500000109.6D259 V270 A272 I278 I313 L314D259-A304 PolarHBondContact OD2-N 3.32Å; V270-A304 HydrophobicContact CG1-CB 4.3Å; V270-A304 WeakPolarHBondContact CG1-O 3.38Å; V270-A304 HydrophobicContact CG2-CB 3.89Å; A272-A304 HydrophobicContact CB-CB 3.94Å; I278-A304 HydrophobicContact CG2-CB 4.09Å; A304-I313 HydrophobicContact CB-CG2 4.14Å; A304-L314 CarbonylContact C-O 3.53Å; A304-L314 WeakPolarHBondContact CA-O 3.49Å
305V97.1Very high95.6Very high22 Ų2222.5 Ų22.513%0.13313%0.127CC..EExtended strand (participates in β ladder)trans-128.9147.4-178.3-63.80000110.5Q261 I313 L314Q261-V305 VanDerWaalsContact OE1-CB 3.29Å; V305-I313 CarbonylContact O-C 3.59Å; V305-I313 WeakPolarHBondContact O-CA 3.43Å; V305-L314 HydrophobicContact CG2-CB 3.85Å; V305-L314 HydrophobicContact CG2-CD2 4.17Å; V305-L314 PolarHBondContact N-O 2.84Å; V305-L314 PolarHBondContact O-N 2.95Å
306F97.4Very high95.6Very high14 Ų1422.5 Ų22.56%0.06113%0.126CC..EExtended strand (participates in β ladder)trans-79.1152.6173.7-70.5-76.3000111.8Q261 T263 V270 L280 Y312 I313 L327Q261-F306 WeakPolarHBondContact O-CE2 3.31Å; T263-F306 HydrophobicContact CG2-CD1 3.95Å; T263-F306 HydrophobicContact CG2-CD2 3.66Å; T263-F306 HydrophobicContact CG2-CE1 3.9Å; T263-F306 HydrophobicContact CG2-CE2 3.6Å; T263-F306 HydrophobicContact CG2-CG 3.82Å; T263-F306 HydrophobicContact CG2-CZ 3.72Å; V270-F306 HydrophobicContact CB-CD2 4.43Å; V270-F306 HydrophobicContact CB-CE1 4.41Å; V270-F306 HydrophobicContact CB-CE2 3.61Å; V270-F306 HydrophobicContact CB-CZ 3.61Å; V270-F306 HydrophobicContact CG1-CD2 3.87Å; V270-F306 HydrophobicContact CG1-CE2 3.47Å; V270-F306 VanDerWaalsContact CG1-CE2 3.47Å; V270-F306 HydrophobicContact CG1-CZ 3.97Å; L280-F306 HydrophobicContact CD1-CE1 3.8Å; L280-F306 HydrophobicContact CD1-CZ 3.57Å; F306-Y312 WeakPolarHBondContact CA-O 3.42Å; F306-I313 HydrophobicContact CD1-CG1 3.85Å; F306-I313 HydrophobicContact CE1-CD1 4.13Å; F306-I313 HydrophobicContact CE1-CG1 3.81Å; F306-L327 HydrophobicContact CD1-CD1 4.24Å; F306-L327 HydrophobicContact CE1-CD1 3.87Å
307S96Very high95.5Very high2 Ų222.4 Ų22.41%0.01413%0.126CC..  trans-68.8157.3154.461.50000110.8N309 S310 K311 Y312 E357S307-N309 VanDerWaalsContact C-N 3.29Å; S307-N309 PolarHBondContact O-N 3.27Å; S307-N309 PolarHBondContact OG-OD1 3.4Å; S307-S310 WeakPolarHBondContact O-CA 3.38Å; S307-S310 PolarHBondContact O-N 3.26Å; S307-K311 PolarHBondContact OG-N 3.44Å; S307-Y312 PolarHBondContact N-O 3.05Å; S307-Y312 PolarHBondContact OG-N 3.42Å; S307-Y312 PolarHBondContact OG-O 3.09Å; S307-E357 WeakPolarHBondContact CA-OE1 3.33Å
308K93.9Very high95.4Very high75 Ų7518.7 Ų18.733%0.32610%0.104SC..THydrogen-bonded Turntrans-57.5-39.9-178.5-75.8-175.9178.8-165.70113C75 S310 Q355 E357C75-K308 HydrophobicContact CB-CB 4.01Å; K308-S310 PolarHBondContact O-N 2.83Å; K308-Q355 VanDerWaalsContact CE-O 3.27Å; K308-Q355 WeakPolarHBondContact CE-O 3.26Å; K308-Q355 PolarHBondContact NZ-O 2.81Å; K308-E357 HydrophobicContact CD-CG 4.39Å; K308-E357 HydrophobicContact CG-CG 4.35Å; K308-E357 WeakPolarHBondContact CG-OE1 3.15Å; K308-E357 PolarHBondContact N-OE1 2.59Å; K308-E357 PolarHBondContact N-OE2 3.29Å
309N92.3Very high95.3Very high43 Ų4318.8 Ų18.823%0.2310%0.096CC..THydrogen-bonded Turntrans-76.3-0.4175.9665.7000113.6L76 S307 K311L76-N309 PolarHBondContact O-ND2 3.46Å; S307-N309 VanDerWaalsContact C-N 3.29Å; S307-N309 PolarHBondContact O-N 3.27Å; S307-N309 PolarHBondContact OG-OD1 3.4Å; N309-K311 HydrophobicContact CB-CG 4.49Å; N309-K311 PolarHBondContact O-N 3.12Å; N309-K311 VanDerWaalsContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.33Å; N309-K311 PolarHBondContact OD1-N 2.85Å; N309-K311 VanDerWaalsContact OD1-N 3.1Å
310S94.3Very high94.9Very high29 Ų2918 Ų1820%0.2039%0.091CC..SBendtrans57.224.2179.7-50.50000114T263 S307 K308 L327T263-S310 WeakPolarHBondContact CG2-OG 3.33Å; S307-S310 WeakPolarHBondContact O-CA 3.38Å; S307-S310 PolarHBondContact O-N 3.26Å; K308-S310 PolarHBondContact O-N 2.83Å; S310-L327 WeakPolarHBondContact O-CD1 3.46Å
311K93.5Very high94.7Very high60 Ų6016.9 Ų16.926%0.2619%0.087SC..SBendtrans-89.1-25174.3-69.6-173.5177.4-179.30112.8D77 D79 S307 N309 L327D77-K311 VanDerWaalsContact CG-NZ 3.25Å; D77-K311 IonicContact OD1-NZ 3.59Å; D77-K311 PolarHBondContact OD1-NZ 3.19Å; D77-K311 IonicContact OD2-NZ 3.99Å; D77-K311 PolarHBondContact OD2-NZ 3.27Å; D79-K311 IonicContact OD2-NZ 3.01Å; D79-K311 PolarHBondContact OD2-NZ 3.05Å; S307-K311 PolarHBondContact OG-N 3.44Å; N309-K311 HydrophobicContact CB-CG 4.49Å; N309-K311 PolarHBondContact O-N 3.12Å; N309-K311 VanDerWaalsContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.33Å; N309-K311 PolarHBondContact OD1-N 2.85Å; N309-K311 VanDerWaalsContact OD1-N 3.1Å; K311-L327 WeakPolarHBondContact O-CB 3.43Å; K311-L327 WeakPolarHBondContact O-CG 3.19Å; K311-L327 PolarHBondContact O-N 3.39Å
312Y96.1Very high94.6Very high0 Ų016.9 Ų16.90%09%0.087CC..EExtended strand (participates in β ladder)trans-126.1153.3-173.7-48.6-74.5000112.3L76 M78 F306 S307 L324 W325 E326 L333L76-Y312 HydrophobicContact CD2-CD2 4.42Å; L76-Y312 HydrophobicContact CG-CD2 4.4Å; L76-Y312 VanDerWaalsContact O-CE2 3.29Å; L76-Y312 WeakPolarHBondContact O-CE2 3.43Å; M78-Y312 WeakPolarHBondContact CB-OH 3.22Å; M78-Y312 HydrophobicContact CG-CE1 4.31Å; M78-Y312 HydrophobicContact CG-CE2 4.38Å; M78-Y312 PolarHBondContact N-OH 2.91Å; M78-Y312 VanDerWaalsContact N-OH 3.07Å; F306-Y312 WeakPolarHBondContact CA-O 3.42Å; S307-Y312 PolarHBondContact N-O 3.05Å; S307-Y312 PolarHBondContact OG-N 3.42Å; S307-Y312 PolarHBondContact OG-O 3.09Å; Y312-L324 HydrophobicContact CG-CD1 4.44Å; Y312-W325 CarbonylContact C-O 3.6Å; Y312-W325 WeakPolarHBondContact CA-O 3.38Å; Y312-W325 WeakPolarHBondContact CB-O 3.29Å; Y312-E326 HydrophobicContact CD1-CB 4.15Å; Y312-E326 HydrophobicContact CD1-CG 4.34Å; Y312-E326 HydrophobicContact CE1-CB 4.18Å; Y312-E326 HydrophobicContact CE1-CG 4.01Å; Y312-L333 HydrophobicContact CD1-CD1 3.91Å; Y312-L333 HydrophobicContact CE1-CD1 3.56Å
313I97.7Very high94.6Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-114.7130.1165.7-67.9169.8000108.2V270 I278 F292 A304 V305 F306 L324 W325 L327V270-I313 HydrophobicContact CB-CD1 4.33Å; V270-I313 HydrophobicContact CG2-CD1 3.74Å; V270-I313 HydrophobicContact CG2-CG1 4.46Å; V270-I313 HydrophobicContact CG2-CG2 4.48Å; I278-I313 HydrophobicContact CG2-CD1 4.36Å; F292-I313 HydrophobicContact CE2-CD1 3.98Å; F292-I313 HydrophobicContact CZ-CD1 4.46Å; A304-I313 HydrophobicContact CB-CG2 4.14Å; V305-I313 CarbonylContact O-C 3.59Å; V305-I313 WeakPolarHBondContact O-CA 3.43Å; F306-I313 HydrophobicContact CD1-CG1 3.85Å; F306-I313 HydrophobicContact CE1-CD1 4.13Å; F306-I313 HydrophobicContact CE1-CG1 3.81Å; I313-L324 CarbonylContact O-C 3.53Å; I313-L324 WeakPolarHBondContact O-CA 3.09Å; I313-W325 HydrophobicContact CB-CB 4.35Å; I313-W325 PolarHBondContact N-O 2.71Å; I313-W325 PolarHBondContact O-N 2.98Å; I313-L327 HydrophobicContact CD1-CD2 3.34Å; I313-L327 HydrophobicContact CG1-CD2 3.67Å; I313-L327 HydrophobicContact CG1-CG 4.39Å
314L97.9Very high94.7Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-97.9120.1166-174.376.4000108.7A304 V305 V322 K323 L324 Y336 A351 F353 V360A304-L314 CarbonylContact C-O 3.53Å; A304-L314 WeakPolarHBondContact CA-O 3.49Å; V305-L314 HydrophobicContact CG2-CB 3.85Å; V305-L314 HydrophobicContact CG2-CD2 4.17Å; V305-L314 PolarHBondContact N-O 2.84Å; V305-L314 PolarHBondContact O-N 2.95Å; L314-V322 HydrophobicContact CD1-CG1 3.45Å; L314-V322 VanDerWaalsContact CD1-CG1 3.45Å; L314-V322 HydrophobicContact CD2-CG1 4.32Å; L314-V322 HydrophobicContact CG-CG1 3.76Å; L314-K323 CarbonylContact C-O 3.59Å; L314-K323 WeakPolarHBondContact CA-O 3.08Å; L314-L324 HydrophobicContact CB-CD1 4.45Å; L314-L324 HydrophobicContact CD1-CD1 4.25Å; L314-Y336 HydrophobicContact CD1-CD2 4.3Å; L314-Y336 HydrophobicContact CD1-CE2 3.86Å; L314-A351 HydrophobicContact CD2-CB 4.03Å; L314-A351 HydrophobicContact CG-CB 4.44Å; L314-F353 HydrophobicContact CB-CD2 4.47Å; L314-F353 HydrophobicContact CB-CE2 3.6Å; L314-F353 HydrophobicContact CB-CZ 3.71Å; L314-F353 HydrophobicContact CD1-CE1 4.4Å; L314-F353 HydrophobicContact CD1-CZ 4.13Å; L314-F353 HydrophobicContact CD2-CD1 4.44Å; L314-F353 HydrophobicContact CD2-CD2 4.19Å; L314-F353 HydrophobicContact CD2-CE1 4.26Å; L314-F353 HydrophobicContact CD2-CE2 4Å; L314-F353 HydrophobicContact CD2-CG 4.41Å; L314-F353 HydrophobicContact CD2-CZ 4.05Å; L314-F353 HydrophobicContact CG-CE2 4.33Å; L314-F353 HydrophobicContact CG-CZ 4.19Å; L314-V360 HydrophobicContact CD1-CG1 4.01Å; L314-V360 HydrophobicContact CD1-CG2 3.87Å; L314-V360 HydrophobicContact CD2-CG1 4.04Å; L314-V360 HydrophobicContact CD2-CG2 4.23Å
315S97.2Very high94.6Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-120.9152.5178.570.90000112.3I278 H296 S303 V322 K323 W325I278-S315 WeakPolarHBondContact CD1-OG 3.27Å; H296-S315 PolarHBondContact NE2-OG 3.44Å; S303-S315 CarbonylContact O-C 3.51Å; S303-S315 VanDerWaalsContact O-CA 3.24Å; S303-S315 WeakPolarHBondContact O-CA 3.32Å; S315-V322 CarbonylContact O-C 3.49Å; S315-V322 WeakPolarHBondContact O-CA 3.39Å; S315-V322 WeakPolarHBondContact O-CG1 3.46Å; S315-K323 PolarHBondContact N-O 3.1Å; S315-K323 PolarHBondContact O-N 3.47Å; S315-W325 PolarHBondContact OG-NE1 3.17Å
316C94.8Very high94.5Very high1 Ų118.5 Ų18.51%0.0079%0.092CC..EExtended strand (participates in β ladder)trans-125.1134.9173.3-173.20000110.1C302 S303 V322 I349 A351C302-C316 WeakPolarHBondContact CB-O 3.49Å; C302-C316 PolarHBondContact N-O 3.12Å; S303-C316 PolarHBondContact N-O 2.87Å; S303-C316 PolarHBondContact O-N 2.98Å; S303-C316 WeakPolarHBondContact OG-CB 3.2Å; C316-V322 HydrophobicContact CB-CG2 4.04Å; C316-I349 VanDerWaalsContact SG-CB 3.58Å; C316-I349 VanDerWaalsContact SG-CG2 3.56Å; C316-A351 HydrophobicContact CB-CB 3.97Å
317G93.6Very high94.2Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-113.7166179.100000113.6H296 E300 D319 G320 V321H296-G317 PolarHBondContact CE1-N 2.86Å; H296-G317 VanDerWaalsContact CE1-N 3.27Å; H296-G317 PolarHBondContact ND1-N 2.84Å; E300-G317 CarbonylContact O-C 3.6Å; E300-G317 WeakPolarHBondContact O-CA 3.48Å; G317-D319 VanDerWaalsContact C-OD1 3.28Å; G317-D319 VanDerWaalsContact CA-OD1 3.26Å; G317-D319 WeakPolarHBondContact CA-OD1 3.27Å; G317-D319 PolarHBondContact O-N 3.07Å; G317-G320 PolarHBondContact O-N 3.32Å; G317-V321 PolarHBondContact N-O 3.06Å; G317-V321 VanDerWaalsContact N-O 3.15Å
318K91.6Very high93.9Very high38 Ų3824.5 Ų24.517%0.16513%0.132CC..THydrogen-bonded Turntrans-68.7-8.8167.6-80.6-165.2178.6174.20113.5A299 E300 G320 Q344 S345A299-K318 HydrophobicContact CB-CB 4.44Å; E300-K318 HydrophobicContact CB-CB 4.41Å; E300-K318 HydrophobicContact CB-CD 3.93Å; E300-K318 HydrophobicContact CB-CG 4.05Å; E300-K318 VanDerWaalsContact CD-CE 3.49Å; E300-K318 HydrophobicContact CG-CD 4.12Å; E300-K318 PolarHBondContact O-N 3.17Å; E300-K318 IonicContact OE1-NZ 3.05Å; E300-K318 PolarHBondContact OE1-NZ 2.73Å; E300-K318 WeakPolarHBondContact OE2-CE 3.41Å; E300-K318 IonicContact OE2-NZ 3.02Å; E300-K318 PolarHBondContact OE2-NZ 3.16Å; K318-G320 PolarHBondContact O-N 3.08Å; K318-Q344 CarbonylContact O-C 3.56Å; K318-Q344 VanDerWaalsContact O-CA 3.26Å; K318-Q344 WeakPolarHBondContact O-CA 3.32Å; K318-S345 PolarHBondContact O-N 2.78Å
319D90Very high93.6Very high36 Ų3623.6 Ų23.619%0.19313%0.133CC..THydrogen-bonded Turntrans-67.4-8.6167.563.6-10.9000112.9H296 A299 G317 V321H296-D319 VanDerWaalsContact CB-OD2 3.31Å; H296-D319 WeakPolarHBondContact CB-OD2 3.32Å; H296-D319 IonicContact CE1-OD1 3.79Å; H296-D319 IonicContact CG-OD1 2.87Å; H296-D319 IonicContact CG-OD2 3.01Å; H296-D319 VanDerWaalsContact ND1-CG 3.3Å; H296-D319 IonicContact ND1-OD1 3.29Å; H296-D319 PolarHBondContact ND1-OD1 3.5Å; H296-D319 IonicContact ND1-OD2 3.02Å; H296-D319 PolarHBondContact ND1-OD2 3.16Å; A299-D319 HydrophobicContact CB-CB 4.18Å; G317-D319 VanDerWaalsContact C-OD1 3.28Å; G317-D319 VanDerWaalsContact CA-OD1 3.26Å; G317-D319 WeakPolarHBondContact CA-OD1 3.27Å; G317-D319 PolarHBondContact O-N 3.07Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 HydrophobicContact CB-CG2 4.42Å; D319-V321 PolarHBondContact OD1-N 3.02Å; D319-V321 VanDerWaalsContact OD1-N 3.1Å
320G87.6Confident93.5Very high7 Ų724.9 Ų24.97%0.07214%0.14CC..SBendtrans79.811.8-179.600000113.3G317 K318G317-G320 PolarHBondContact O-N 3.32Å; K318-G320 PolarHBondContact O-N 3.08Å
321V91.6Very high93.2Very high25 Ų2528.5 Ų28.515%0.15215%0.149CC..EExtended strand (participates in β ladder)trans-108.2137.3-179.5-171.40000109.3H296 G317 D319 K323 A335 T337H296-V321 PolarHBondContact CE1-O 2.98Å; H296-V321 PolarHBondContact ND1-O 2.96Å; G317-V321 PolarHBondContact N-O 3.06Å; G317-V321 VanDerWaalsContact N-O 3.15Å; D319-V321 VanDerWaalsContact C-N 3.28Å; D319-V321 HydrophobicContact CB-CG2 4.42Å; D319-V321 PolarHBondContact OD1-N 3.02Å; D319-V321 VanDerWaalsContact OD1-N 3.1Å; V321-K323 HydrophobicContact CG1-CG 3.85Å; V321-A335 HydrophobicContact CG1-CB 3.85Å; V321-T337 HydrophobicContact CG1-CG2 4.02Å; V321-T337 HydrophobicContact CG2-CG2 4.12Å
322V95.1Very high93.2Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-100.7127.8164.6-179.50000108.1L314 S315 C316 A335 Y336 A351 V360 F362L314-V322 HydrophobicContact CD1-CG1 3.45Å; L314-V322 VanDerWaalsContact CD1-CG1 3.45Å; L314-V322 HydrophobicContact CD2-CG1 4.32Å; L314-V322 HydrophobicContact CG-CG1 3.76Å; S315-V322 CarbonylContact O-C 3.49Å; S315-V322 WeakPolarHBondContact O-CA 3.39Å; S315-V322 WeakPolarHBondContact O-CG1 3.46Å; C316-V322 HydrophobicContact CB-CG2 4.04Å; V322-A335 CarbonylContact O-C 3.53Å; V322-A335 WeakPolarHBondContact O-CA 3.1Å; V322-Y336 HydrophobicContact CB-CD2 4.14Å; V322-Y336 HydrophobicContact CG1-CD2 3.98Å; V322-Y336 PolarHBondContact N-O 3.25Å; V322-Y336 WeakPolarHBondContact O-CD2 3.42Å; V322-Y336 PolarHBondContact O-N 3.49Å; V322-A351 HydrophobicContact CB-CB 4.47Å; V322-A351 HydrophobicContact CG1-CB 3.73Å; V322-A351 HydrophobicContact CG2-CB 3.83Å; V322-V360 HydrophobicContact CG1-CG1 3.94Å; V322-F362 HydrophobicContact CB-CD1 4.36Å; V322-F362 HydrophobicContact CB-CE1 4.2Å; V322-F362 HydrophobicContact CG2-CB 4.37Å; V322-F362 HydrophobicContact CG2-CD1 3.55Å; V322-F362 HydrophobicContact CG2-CD2 4.09Å; V322-F362 HydrophobicContact CG2-CE1 3.68Å; V322-F362 HydrophobicContact CG2-CE2 4.2Å; V322-F362 HydrophobicContact CG2-CG 3.76Å; V322-F362 HydrophobicContact CG2-CZ 4Å
323K96Very high93Very high26 Ų2629.1 Ų29.111%0.11316%0.159CC..EExtended strand (participates in β ladder)trans-117.1140.2-176.5-68.7-178.3-179.3-177.70110.7A295 D297 L314 S315 V321 W325 M334A295-K323 WeakPolarHBondContact O-CD 3.44Å; A295-K323 PolarHBondContact O-NZ 3.04Å; D297-K323 IonicContact OD2-NZ 2.75Å; L314-K323 CarbonylContact C-O 3.59Å; L314-K323 WeakPolarHBondContact CA-O 3.08Å; S315-K323 PolarHBondContact N-O 3.1Å; S315-K323 PolarHBondContact O-N 3.47Å; V321-K323 HydrophobicContact CG1-CG 3.85Å; K323-W325 HydrophobicContact CB-CZ2 3.86Å; K323-W325 HydrophobicContact CD-CH2 3.96Å; K323-W325 HydrophobicContact CD-CZ2 3.42Å; K323-W325 VanDerWaalsContact CD-CZ2 3.42Å; K323-W325 HydrophobicContact CG-CZ2 4.27Å; K323-M334 WeakPolarHBondContact CA-O 3.13Å
324L97Very high92.7Very high0 Ų029.8 Ų29.80%016%0.162CC..EExtended strand (participates in β ladder)trans-103.8120.8171-172.271.2000109.2L76 Y312 I313 L314 C332 L333 M334 Y336 F353L76-L324 HydrophobicContact CD2-CD1 4.22Å; L76-L324 HydrophobicContact CD2-CD2 3.94Å; Y312-L324 HydrophobicContact CG-CD1 4.44Å; I313-L324 CarbonylContact O-C 3.53Å; I313-L324 WeakPolarHBondContact O-CA 3.09Å; L314-L324 HydrophobicContact CB-CD1 4.45Å; L314-L324 HydrophobicContact CD1-CD1 4.25Å; L324-C332 CarbonylContact O-C 3.52Å; L324-C332 WeakPolarHBondContact O-CA 3.35Å; L324-L333 PolarHBondContact O-N 3.3Å; L324-M334 HydrophobicContact CB-CB 3.93Å; L324-M334 HydrophobicContact CB-CG 4.46Å; L324-M334 HydrophobicContact CD2-CG 4.29Å; L324-M334 PolarHBondContact N-O 2.84Å; L324-M334 PolarHBondContact O-N 3.14Å; L324-Y336 HydrophobicContact CB-CE2 4.09Å; L324-F353 HydrophobicContact CD1-CE1 4.44Å; L324-F353 HydrophobicContact CD1-CZ 3.73Å
325W96.4Very high92.5Very high23 Ų2332 Ų329%0.08718%0.18CC..EExtended strand (participates in β ladder)trans-110.2135.6-177.5-52.789.1000110.7F292 A295 Y312 I313 S315 K323 R331 C332F292-W325 HydrophobicContact CD1-CD2 4.06Å; F292-W325 AromaticContact CD1-CE3 3.74Å; F292-W325 HydrophobicContact CD1-CE3 3.74Å; F292-W325 HydrophobicContact CD1-CG 4.4Å; F292-W325 HydrophobicContact CD1-CZ3 4.29Å; F292-W325 HydrophobicContact CE1-CB 3.94Å; F292-W325 HydrophobicContact CE1-CD2 4.32Å; F292-W325 HydrophobicContact CE1-CE3 4.07Å; F292-W325 HydrophobicContact CE1-CG 4.29Å; F292-W325 HydrophobicContact CZ-CB 4.39Å; A295-W325 HydrophobicContact CB-CH2 4.2Å; A295-W325 HydrophobicContact CB-CZ2 3.75Å; A295-W325 VanDerWaalsContact O-CH2 3.31Å; A295-W325 WeakPolarHBondContact O-CH2 3.35Å; A295-W325 WeakPolarHBondContact O-CZ2 3.29Å; Y312-W325 CarbonylContact C-O 3.6Å; Y312-W325 WeakPolarHBondContact CA-O 3.38Å; Y312-W325 WeakPolarHBondContact CB-O 3.29Å; I313-W325 HydrophobicContact CB-CB 4.35Å; I313-W325 PolarHBondContact N-O 2.71Å; I313-W325 PolarHBondContact O-N 2.98Å; S315-W325 PolarHBondContact OG-NE1 3.17Å; K323-W325 HydrophobicContact CB-CZ2 3.86Å; K323-W325 HydrophobicContact CD-CH2 3.96Å; K323-W325 HydrophobicContact CD-CZ2 3.42Å; K323-W325 VanDerWaalsContact CD-CZ2 3.42Å; K323-W325 HydrophobicContact CG-CZ2 4.27Å; W325-R331 CarbonylContact C-O 3.46Å; W325-R331 WeakPolarHBondContact CA-O 3.34Å; W325-C332 HydrophobicContact CD2-CB 4.33Å; W325-C332 HydrophobicContact CE3-CB 3.72Å; W325-C332 HydrophobicContact CH2-CB 4.05Å; W325-C332 HydrophobicContact CZ3-CB 3.57Å
326E93.8Very high92.3Very high9 Ų932 Ų324%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-88.3126.4168.5-173.3-178.6-129.500110.5Y19 Y312 T329 N330 R331 L333Y19-E326 WeakPolarHBondContact CE2-OE1 3.45Å; Y19-E326 PolarHBondContact OH-OE1 3.29Å; Y19-E326 PolarHBondContact OH-OE2 3.39Å; Y312-E326 HydrophobicContact CD1-CB 4.15Å; Y312-E326 HydrophobicContact CD1-CG 4.34Å; Y312-E326 HydrophobicContact CE1-CB 4.18Å; Y312-E326 HydrophobicContact CE1-CG 4.01Å; E326-T329 WeakPolarHBondContact OE2-CB 2.98Å; E326-T329 WeakPolarHBondContact OE2-CG2 3.42Å; E326-T329 PolarHBondContact OE2-OG1 2.84Å; E326-N330 WeakPolarHBondContact O-CA 3.48Å; E326-N330 PolarHBondContact O-N 3.03Å; E326-R331 PolarHBondContact N-O 3.34Å; E326-L333 HydrophobicContact CB-CD1 3.94Å; E326-L333 HydrophobicContact CB-CD2 4.3Å; E326-L333 HydrophobicContact CB-CG 4.02Å
327L92.6Very high92Very high25 Ų2535 Ų3513%0.13120%0.199CC..THydrogen-bonded Turntrans-70.3-34.4-175.5-70-176.9000113.8L280 F292 F306 S310 K311 I313 T329 N330L280-L327 HydrophobicContact CD2-CD2 4.21Å; F292-L327 HydrophobicContact CE2-CD2 4.25Å; F292-L327 HydrophobicContact CZ-CD2 3.98Å; F306-L327 HydrophobicContact CD1-CD1 4.24Å; F306-L327 HydrophobicContact CE1-CD1 3.87Å; S310-L327 WeakPolarHBondContact O-CD1 3.46Å; K311-L327 WeakPolarHBondContact O-CB 3.43Å; K311-L327 WeakPolarHBondContact O-CG 3.19Å; K311-L327 PolarHBondContact O-N 3.39Å; I313-L327 HydrophobicContact CD1-CD2 3.34Å; I313-L327 HydrophobicContact CG1-CD2 3.67Å; I313-L327 HydrophobicContact CG1-CG 4.39Å; L327-T329 VanDerWaalsContact C-N 3.35Å; L327-N330 PolarHBondContact O-OD1 3.22Å
328C88.9Confident91Very high117 Ų11735.3 Ų35.379%0.79120%0.201SC*.THydrogen-bonded Turntrans-70.1-32.9-175.4-66.60000112.6
329T87.8Confident89.6Confident57 Ų5739.8 Ų39.835%0.3523%0.226SC..THydrogen-bonded Turntrans-113.6-9.5-174.566.80000113.4E326 L327 R331E326-T329 WeakPolarHBondContact OE2-CB 2.98Å; E326-T329 WeakPolarHBondContact OE2-CG2 3.42Å; E326-T329 PolarHBondContact OE2-OG1 2.84Å; L327-T329 VanDerWaalsContact C-N 3.35Å; T329-R331 PolarHBondContact O-N 2.84Å; T329-R331 WeakPolarHBondContact OG1-CB 3.29Å; T329-R331 WeakPolarHBondContact OG1-CG 3.45Å; T329-R331 PolarHBondContact OG1-N 2.83Å
330N89.2Confident87.9Confident69 Ų6941.7 Ų41.737%0.36925%0.254SS..  trans58.916.8-170.8-61-24.6000115N290 F292 E326 L327N290-N330 PolarHBondContact ND2-ND2 3.09Å; N290-N330 VanDerWaalsContact ND2-ND2 3.16Å; N290-N330 PolarHBondContact ND2-OD1 3.39Å; N290-N330 PolarHBondContact OD1-ND2 2.98Å; F292-N330 HydrophobicContact CD1-CB 4.46Å; F292-N330 HydrophobicContact CE1-CB 3.93Å; E326-N330 WeakPolarHBondContact O-CA 3.48Å; E326-N330 PolarHBondContact O-N 3.03Å; L327-N330 PolarHBondContact O-OD1 3.22Å
331R90Very high86.1Confident106 Ų10644 Ų4440%0.427%0.266SS..  trans-80.9140.1-179.4-67.9178177.3-178.2-0.7110.9Y19 D20 W325 E326 T329 L333Y19-R331 PolarHBondContact O-NH1 2.93Å; D20-R331 IonicContact OD1-CZ 3.96Å; D20-R331 IonicContact OD1-NH1 2.9Å; D20-R331 PolarHBondContact OD1-NH1 3.01Å; W325-R331 CarbonylContact C-O 3.46Å; W325-R331 WeakPolarHBondContact CA-O 3.34Å; E326-R331 PolarHBondContact N-O 3.34Å; T329-R331 PolarHBondContact O-N 2.84Å; T329-R331 WeakPolarHBondContact OG1-CB 3.29Å; T329-R331 WeakPolarHBondContact OG1-CG 3.45Å; T329-R331 PolarHBondContact OG1-N 2.83Å; R331-L333 HydrophobicContact CB-CD2 4.47Å; R331-L333 PolarHBondContact O-N 3.37Å
332C92.9Very high84.1Confident55 Ų5549.1 Ų49.137%0.37230%0.304SS..EExtended strand (participates in β ladder)trans-77.1109.7163.9-175.40000108L324 W325 M334L324-C332 CarbonylContact O-C 3.52Å; L324-C332 WeakPolarHBondContact O-CA 3.35Å; W325-C332 HydrophobicContact CD2-CB 4.33Å; W325-C332 HydrophobicContact CE3-CB 3.72Å; W325-C332 HydrophobicContact CH2-CB 4.05Å; W325-C332 HydrophobicContact CZ3-CB 3.57Å; C332-M334 PolarHBondContact SG-O 3.1Å; C332-M334 VanDerWaalsContact SG-O 3.34Å
333L91.6Very high82.2Confident17 Ų1751.2 Ų51.29%0.08933%0.325CS..EExtended strand (participates in β ladder)trans-80-41179.8-62.2-176000111.9Y19 M78 Y312 L324 E326 R331Y19-L333 HydrophobicContact CD2-CD2 3.88Å; Y19-L333 HydrophobicContact CE2-CD2 3.92Å; M78-L333 HydrophobicContact CG-CD1 4.38Å; Y312-L333 HydrophobicContact CD1-CD1 3.91Å; Y312-L333 HydrophobicContact CE1-CD1 3.56Å; L324-L333 PolarHBondContact O-N 3.3Å; E326-L333 HydrophobicContact CB-CD1 3.94Å; E326-L333 HydrophobicContact CB-CD2 4.3Å; E326-L333 HydrophobicContact CB-CG 4.02Å; R331-L333 HydrophobicContact CB-CD2 4.47Å; R331-L333 PolarHBondContact O-N 3.37Å
334M91.9Very high80.6Confident15 Ų1557.7 Ų57.77%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-138.1152.1-174.1-60.3-67.2-165.400111.8P40 P41 M78 K323 L324 C332 Y336 R376 C378P40-M334 HydrophobicContact CB-CE 4.27Å; P41-M334 HydrophobicContact CB-CE 4.37Å; P41-M334 HydrophobicContact CG-CE 3.55Å; P41-M334 HydrophobicContact CG-SD 3.8Å; M78-M334 HydrophobicContact CE-CE 3.96Å; K323-M334 WeakPolarHBondContact CA-O 3.13Å; L324-M334 HydrophobicContact CB-CB 3.93Å; L324-M334 HydrophobicContact CB-CG 4.46Å; L324-M334 HydrophobicContact CD2-CG 4.29Å; L324-M334 PolarHBondContact N-O 2.84Å; L324-M334 PolarHBondContact O-N 3.14Å; C332-M334 PolarHBondContact SG-O 3.1Å; C332-M334 VanDerWaalsContact SG-O 3.34Å; M334-Y336 HydrophobicContact CB-CE1 4.21Å; M334-Y336 HydrophobicContact CB-CE2 3.96Å; M334-R376 WeakPolarHBondContact CE-O 3.41Å; M334-C378 HydrophobicContact SD-CB 3.96Å
335A93.1Very high79.3Confident45 Ų4558.3 Ų58.337%0.37236%0.36SS..EExtended strand (participates in β ladder)trans-133.3112170.700000109.6V321 V322 C378V321-A335 HydrophobicContact CG1-CB 3.85Å; V322-A335 CarbonylContact O-C 3.53Å; V322-A335 WeakPolarHBondContact O-CA 3.1Å; A335-C378 PolarHBondContact O-SG 2.82Å
336Y92.5Very high78.1Confident0 Ų067.1 Ų67.10%039%0.393CS..EExtended strand (participates in β ladder)trans-95.7112.4177.6-41.1-87.3000108.9L314 V322 L324 M334 V360 W373 S375 C378L314-Y336 HydrophobicContact CD1-CD2 4.3Å; L314-Y336 HydrophobicContact CD1-CE2 3.86Å; V322-Y336 HydrophobicContact CB-CD2 4.14Å; V322-Y336 HydrophobicContact CG1-CD2 3.98Å; V322-Y336 PolarHBondContact N-O 3.25Å; V322-Y336 WeakPolarHBondContact O-CD2 3.42Å; V322-Y336 PolarHBondContact O-N 3.49Å; L324-Y336 HydrophobicContact CB-CE2 4.09Å; M334-Y336 HydrophobicContact CB-CE1 4.21Å; M334-Y336 HydrophobicContact CB-CE2 3.96Å; Y336-V360 HydrophobicContact CD2-CB 4.42Å; Y336-V360 HydrophobicContact CD2-CG1 3.96Å; Y336-V360 HydrophobicContact CD2-CG2 4.37Å; Y336-V360 HydrophobicContact CE1-CG2 4.31Å; Y336-V360 HydrophobicContact CE2-CB 4.37Å; Y336-V360 HydrophobicContact CE2-CG1 4.26Å; Y336-V360 HydrophobicContact CE2-CG2 3.86Å; Y336-V360 HydrophobicContact CG-CG1 4.24Å; Y336-W373 HydrophobicContact CD1-CB 3.54Å; Y336-W373 HydrophobicContact CD1-CD2 4.19Å; Y336-W373 HydrophobicContact CD1-CE3 4.35Å; Y336-W373 AromaticContact CD1-CG 3.84Å; Y336-W373 HydrophobicContact CD1-CG 3.84Å; Y336-W373 HydrophobicContact CE1-CB 4.2Å; Y336-W373 HydrophobicContact CG-CB 4.26Å; Y336-W373 HydrophobicContact CG-CG 4.25Å; Y336-S375 PolarHBondContact OH-O 2.76Å; Y336-C378 HydrophobicContact CD1-CB 4.25Å; Y336-C378 HydrophobicContact CE1-CB 4.12Å
337T88.4Confident77.5Confident65 Ų6569.1 Ų69.140%0.39940%0.403SS..EExtended strand (participates in β ladder)trans-115.1127.4-17358.10000110.8V321 W373V321-T337 HydrophobicContact CG1-CG2 4.02Å; V321-T337 HydrophobicContact CG2-CG2 4.12Å; T337-W373 WeakPolarHBondContact O-CZ2 3.18Å
338C73.4Confident77Confident7 Ų770.2 Ų70.25%0.04741%0.405CS..  trans-76.3156.1171.5-143.50000111.5T341 F362 E364 C371 R380C338-T341 PolarHBondContact O-OG1 3.18Å; C338-F362 HydrophobicContact CB-CE2 4.04Å; C338-F362 HydrophobicContact CB-CZ 4.4Å; C338-E364 HydrophobicContact CB-CG 4.23Å; C338-C371 HydrophobicContact CB-CB 4.2Å; C338-C371 WeakPolarHBondContact CB-SG 3.2Å; C338-C371 WeakPolarHBondContact SG-CB 3.16Å; C338-C371 CovalentContact SG-SG 2.08Å; C338-C371 PolarHBondContact SG-SG 3.03Å; C338-R380 PolarHBondContact SG-NH2 2.86Å
339L61.3Low76.6Confident132 Ų13265.5 Ų65.569%0.69137%0.372SS*.THydrogen-bonded Turntrans-69.9140.9-177.6-89.7161.8000109.3T341L339-T341 PolarHBondContact O-N 2.92Å
340G55.1Low76.8Confident76 Ų7665.3 Ų65.378%0.78437%0.367SS*.THydrogen-bonded Turntrans82.80.2169.100000116.3S342G340-S342 PolarHBondContact O-N 3Å
341T50.2Low77.1Confident54 Ų5462.1 Ų62.133%0.33135%0.351SS..  trans-8266.1173.159.40000110.8C338 L339 G343C338-T341 PolarHBondContact O-OG1 3.18Å; L339-T341 PolarHBondContact O-N 2.92Å; T341-G343 PolarHBondContact O-N 2.84Å
342S48.4Very low77.4Confident134 Ų13458 Ų5894%0.93734%0.339SS*.  trans-78.94.5157.455.70000111.8G340G340-S342 PolarHBondContact O-N 3Å
343G56.2Low77.6Confident44 Ų4456.2 Ų56.245%0.45433%0.325SS..SBendtrans-118.4143.7179.200000112.1T341 S345T341-G343 PolarHBondContact O-N 2.84Å; G343-S345 PolarHBondContact O-N 3.4Å
344Q61.2Low77.7Confident161 Ų16155.6 Ų55.675%0.75232%0.321SS*.  trans-58.4133.7173.4-66.3179.80.300110.5K318 R346K318-Q344 CarbonylContact O-C 3.56Å; K318-Q344 VanDerWaalsContact O-CA 3.26Å; K318-Q344 WeakPolarHBondContact O-CA 3.32Å; Q344-R346 PolarHBondContact O-N 2.93Å
345S69.6Low77.8Confident14 Ų1456.1 Ų56.110%0.09832%0.324CS..  trans-60.8131.1170.5-179.60000109.6K318 G343 H347 I349 Q365K318-S345 PolarHBondContact O-N 2.78Å; G343-S345 PolarHBondContact O-N 3.4Å; S345-H347 VanDerWaalsContact C-N 3.32Å; S345-H347 PolarHBondContact OG-N 2.98Å; S345-H347 PolarHBondContact OG-O 2.7Å; S345-I349 WeakPolarHBondContact OG-CD1 3.21Å; S345-Q365 PolarHBondContact OG-OE1 2.86Å
346R72.1Confident77.7Confident207 Ų20754.6 Ų54.678%0.78131%0.309SS*.SBendtrans-78.4-22.6180-65.6-179.5169.7-175.2-2.4111.8Q344Q344-R346 PolarHBondContact O-N 2.93Å
347H81.4Confident77.8Confident51 Ų5154.8 Ų54.824%0.23631%0.31CS..SBendtrans-124.3162.3-175.6-59.7-29.9000111.8S345 I349 Q365S345-H347 VanDerWaalsContact C-N 3.32Å; S345-H347 PolarHBondContact OG-N 2.98Å; S345-H347 PolarHBondContact OG-O 2.7Å; H347-I349 PolarHBondContact O-N 2.82Å; H347-Q365 PolarHBondContact CD2-NE2 3.12Å; H347-Q365 PolarHBondContact NE2-NE2 3.15Å
348R81.5Confident78.1Confident49 Ų4952 Ų5219%0.18529%0.293CS..  trans-64.9130.4173.5-69.7178.258.7-161.7-5.8109R213 T258 C302R213-R348 PolarHBondContact O-NH1 3.4Å; T258-R348 PolarHBondContact O-NH1 2.75Å; T258-R348 PolarHBondContact O-NH2 2.82Å; C302-R348 HydrophobicContact CB-CB 4.33Å; C302-R348 PolarHBondContact O-NH2 2.87Å
349I81.1Confident79.2Confident18 Ų1852.3 Ų52.39%0.09229%0.293CS..  trans-106.8138.1173.3-60.2167.2000107.3C302 C316 S345 H347 F362C302-I349 WeakPolarHBondContact CB-O 3.29Å; C316-I349 VanDerWaalsContact SG-CB 3.58Å; C316-I349 VanDerWaalsContact SG-CG2 3.56Å; S345-I349 WeakPolarHBondContact OG-CD1 3.21Å; H347-I349 PolarHBondContact O-N 2.82Å; I349-F362 HydrophobicContact CG2-CB 4.05Å
350Q91.7Very high80.8Confident52 Ų5246 Ų4624%0.24326%0.26CS..  trans-104.8122.1169.6-73.2173.8-47.600108.2P363 F395Q350-P363 WeakPolarHBondContact O-CD 3.41Å; Q350-F395 HydrophobicContact CB-CB 4.42Å; Q350-F395 PolarHBondContact OE1-O 3.01Å
351A94.5Very high82.8Confident3 Ų342.4 Ų42.43%0.02522%0.223CC..  trans-98.8140.5167.400000109.4S303 L314 C316 V322 L361 F362S303-A351 PolarHBondContact OG-N 2.84Å; L314-A351 HydrophobicContact CD2-CB 4.03Å; L314-A351 HydrophobicContact CG-CB 4.44Å; C316-A351 HydrophobicContact CB-CB 3.97Å; V322-A351 HydrophobicContact CB-CB 4.47Å; V322-A351 HydrophobicContact CG1-CB 3.73Å; V322-A351 HydrophobicContact CG2-CB 3.83Å; A351-L361 WeakPolarHBondContact CA-O 3.29Å; A351-F362 HydrophobicContact CB-CB 4.07Å
352A96.5Very high84.9Confident18 Ų1840.2 Ų40.215%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-138.6153.3174.100000110.5L361 F395 H397A352-L361 PolarHBondContact N-O 2.95Å; A352-L361 PolarHBondContact O-N 3.34Å; A352-F395 HydrophobicContact CB-CD1 4.36Å; A352-F395 HydrophobicContact CB-CE1 3.83Å; A352-H397 HydrophobicContact CB-CB 4.3Å
353F96.8Very high86.9Confident18 Ų1834.2 Ų34.28%0.07917%0.167CC..EExtended strand (participates in β ladder)trans-72.1153.7159.5-65.6-71.1000110L76 L314 L324 E357 Y359 V360 H397L76-F353 HydrophobicContact CD2-CE1 3.78Å; L76-F353 HydrophobicContact CD2-CZ 3.99Å; L314-F353 HydrophobicContact CB-CD2 4.47Å; L314-F353 HydrophobicContact CB-CE2 3.6Å; L314-F353 HydrophobicContact CB-CZ 3.71Å; L314-F353 HydrophobicContact CD1-CE1 4.4Å; L314-F353 HydrophobicContact CD1-CZ 4.13Å; L314-F353 HydrophobicContact CD2-CD1 4.44Å; L314-F353 HydrophobicContact CD2-CD2 4.19Å; L314-F353 HydrophobicContact CD2-CE1 4.26Å; L314-F353 HydrophobicContact CD2-CE2 4Å; L314-F353 HydrophobicContact CD2-CG 4.41Å; L314-F353 HydrophobicContact CD2-CZ 4.05Å; L314-F353 HydrophobicContact CG-CE2 4.33Å; L314-F353 HydrophobicContact CG-CZ 4.19Å; L324-F353 HydrophobicContact CD1-CE1 4.44Å; L324-F353 HydrophobicContact CD1-CZ 3.73Å; F353-E357 HydrophobicContact CB-CB 4.2Å; F353-E357 HydrophobicContact CB-CG 3.95Å; F353-E357 HydrophobicContact CD1-CB 4.06Å; F353-E357 HydrophobicContact CD1-CG 4.49Å; F353-E357 HydrophobicContact CG-CB 4.18Å; F353-E357 HydrophobicContact CG-CG 4.11Å; F353-Y359 CarbonylContact C-O 3.53Å; F353-Y359 WeakPolarHBondContact CA-O 3.32Å; F353-V360 HydrophobicContact CD1-CG2 3.83Å; F353-V360 HydrophobicContact CE1-CG2 3.6Å; F353-H397 WeakPolarHBondContact O-CB 3.32Å
354N95.4Very high88.4Confident4 Ų433.6 Ų33.62%0.02115%0.152CC..  trans-72.1174.7160.278.2-39.6000110.9S88 N356 E357 D358 Y359 L361S88-N354 VanDerWaalsContact CB-ND2 3.33Å; S88-N354 WeakPolarHBondContact CB-ND2 3.2Å; S88-N354 PolarHBondContact OG-ND2 2.8Å; S88-N354 VanDerWaalsContact OG-ND2 3.08Å; N354-N356 PolarHBondContact ND2-OD1 2.84Å; N354-N356 PolarHBondContact O-N 3.33Å; N354-N356 PolarHBondContact OD1-OD1 3.03Å; N354-E357 PolarHBondContact O-N 2.85Å; N354-E357 WeakPolarHBondContact OD1-CA 3.41Å; N354-E357 PolarHBondContact OD1-N 2.99Å; N354-E357 VanDerWaalsContact OD1-N 3.11Å; N354-D358 PolarHBondContact OD1-N 3.04Å; N354-Y359 PolarHBondContact N-O 3.16Å; N354-Y359 PolarHBondContact OD1-N 2.81Å; N354-Y359 PolarHBondContact OD1-O 3.16Å; N354-L361 HydrophobicContact CB-CD1 4.06Å
355Q93.2Very high89Confident26 Ų2628.3 Ų28.312%0.12113%0.128CC..THydrogen-bonded Turntrans-59.2-20.9-170.477.8-68.20.300115.2S88 K308 H397 S398S88-Q355 PolarHBondContact OG-NE2 3.23Å; K308-Q355 VanDerWaalsContact CE-O 3.27Å; K308-Q355 WeakPolarHBondContact CE-O 3.26Å; K308-Q355 PolarHBondContact NZ-O 2.81Å; Q355-H397 PolarHBondContact N-CE1 3.47Å; Q355-H397 VanDerWaalsContact N-CE1 3.29Å; Q355-H397 PolarHBondContact N-ND1 3.2Å; Q355-H397 PolarHBondContact OE1-CE1 3.18Å; Q355-S398 WeakPolarHBondContact CB-O 3.29Å
356N91.8Very high89.3Confident13 Ų1336.4 Ų36.47%0.0716%0.163CC..THydrogen-bonded Turntrans-120.510.9176.168.6-6.4000113.2S74 S87 S88 N354 D358S74-N356 CarbonylContact O-C 3.58Å; S74-N356 WeakPolarHBondContact O-CA 3.49Å; S74-N356 VanDerWaalsContact O-O 3.08Å; S87-N356 PolarHBondContact OG-ND2 2.83Å; S88-N356 PolarHBondContact OG-ND2 2.05Å; S88-N356 PolarHBondContact OG-OD1 2.85Å; N354-N356 PolarHBondContact ND2-OD1 2.84Å; N354-N356 PolarHBondContact O-N 3.33Å; N354-N356 PolarHBondContact OD1-OD1 3.03Å; N356-D358 VanDerWaalsContact CG-OD2 3.29Å; N356-D358 PolarHBondContact ND2-OD2 3.29Å; N356-D358 PolarHBondContact O-N 2.86Å; N356-D358 WeakPolarHBondContact OD1-CB 3.36Å; N356-D358 VanDerWaalsContact OD1-CG 3.27Å; N356-D358 PolarHBondContact OD1-N 3.45Å; N356-D358 PolarHBondContact OD1-OD2 3.01Å
357E94.6Very high89.8Confident5 Ų529.2 Ų29.22%0.02315%0.145CC..SBendtrans59.922.8178-43.5-172.8131.800115.3C75 L76 S307 K308 F353 N354 Y359 S375C75-E357 WeakPolarHBondContact CA-OE2 3.26Å; C75-E357 WeakPolarHBondContact CB-OE2 3.41Å; L76-E357 HydrophobicContact CB-CB 3.84Å; L76-E357 PolarHBondContact N-OE2 2.99Å; S307-E357 WeakPolarHBondContact CA-OE1 3.33Å; K308-E357 HydrophobicContact CD-CG 4.39Å; K308-E357 HydrophobicContact CG-CG 4.35Å; K308-E357 WeakPolarHBondContact CG-OE1 3.15Å; K308-E357 PolarHBondContact N-OE1 2.59Å; K308-E357 PolarHBondContact N-OE2 3.29Å; F353-E357 HydrophobicContact CB-CB 4.2Å; F353-E357 HydrophobicContact CB-CG 3.95Å; F353-E357 HydrophobicContact CD1-CB 4.06Å; F353-E357 HydrophobicContact CD1-CG 4.49Å; F353-E357 HydrophobicContact CG-CB 4.18Å; F353-E357 HydrophobicContact CG-CG 4.11Å; N354-E357 PolarHBondContact O-N 2.85Å; N354-E357 WeakPolarHBondContact OD1-CA 3.41Å; N354-E357 PolarHBondContact OD1-N 2.99Å; N354-E357 VanDerWaalsContact OD1-N 3.11Å; E357-Y359 VanDerWaalsContact C-N 3.33Å; E357-S375 WeakPolarHBondContact O-CB 3.44Å; E357-S375 PolarHBondContact O-OG 3.08Å
358D93.8Very high90Very high6 Ų627.7 Ų27.73%0.03214%0.143CC..SBendtrans-71.2-30.4170.1-71.7-17.3000112.4P86 S87 S88 N354 N356 S375 R376P86-D358 WeakPolarHBondContact CA-OD2 3.39Å; P86-D358 HydrophobicContact CB-CB 3.98Å; S87-D358 PolarHBondContact N-OD2 3.37Å; S87-D358 PolarHBondContact OG-OD2 3.19Å; S88-D358 PolarHBondContact N-OD2 2.83Å; S88-D358 VanDerWaalsContact N-OD2 3.09Å; N354-D358 PolarHBondContact OD1-N 3.04Å; N356-D358 VanDerWaalsContact CG-OD2 3.29Å; N356-D358 PolarHBondContact ND2-OD2 3.29Å; N356-D358 PolarHBondContact O-N 2.86Å; N356-D358 WeakPolarHBondContact OD1-CB 3.36Å; N356-D358 VanDerWaalsContact OD1-CG 3.27Å; N356-D358 PolarHBondContact OD1-N 3.45Å; N356-D358 PolarHBondContact OD1-OD2 3.01Å; D358-S375 PolarHBondContact O-N 3.02Å; D358-S375 PolarHBondContact O-OG 2.86Å; D358-R376 IonicContact OD1-CZ 3.15Å; D358-R376 IonicContact OD1-NH1 2.93Å; D358-R376 PolarHBondContact OD1-NH1 2.94Å; D358-R376 IonicContact OD1-NH2 3.96Å
359Y95.8Very high90.5Very high14 Ų1426.3 Ų26.36%0.05514%0.141CC..EExtended strand (participates in β ladder)trans-126.7141.8-176.3-59.6-62.6000112.4P86 P91 F353 N354 E357 W373 K381P86-Y359 HydrophobicContact CB-CE1 4.13Å; P86-Y359 HydrophobicContact CB-CE2 4.21Å; P86-Y359 VanDerWaalsContact CB-OH 3.29Å; P86-Y359 WeakPolarHBondContact CB-OH 3.49Å; P86-Y359 HydrophobicContact CG-CE1 3.99Å; P91-Y359 HydrophobicContact CG-CD2 3.9Å; P91-Y359 HydrophobicContact CG-CE2 4.39Å; P91-Y359 HydrophobicContact CG-CG 4.03Å; F353-Y359 CarbonylContact C-O 3.53Å; F353-Y359 WeakPolarHBondContact CA-O 3.32Å; N354-Y359 PolarHBondContact N-O 3.16Å; N354-Y359 PolarHBondContact OD1-N 2.81Å; N354-Y359 PolarHBondContact OD1-O 3.16Å; E357-Y359 VanDerWaalsContact C-N 3.33Å; Y359-W373 CarbonylContact C-O 3.5Å; Y359-W373 WeakPolarHBondContact CA-O 3.16Å; Y359-K381 HydrophobicContact CD1-CG 4.25Å; Y359-K381 HydrophobicContact CE1-CD 4.41Å; Y359-K381 HydrophobicContact CE1-CG 3.87Å
360V96.6Very high91.1Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-97.1125.8164169.30000108.4L314 V322 Y336 F353 F362 S372 W373L314-V360 HydrophobicContact CD1-CG1 4.01Å; L314-V360 HydrophobicContact CD1-CG2 3.87Å; L314-V360 HydrophobicContact CD2-CG1 4.04Å; L314-V360 HydrophobicContact CD2-CG2 4.23Å; V322-V360 HydrophobicContact CG1-CG1 3.94Å; Y336-V360 HydrophobicContact CD2-CB 4.42Å; Y336-V360 HydrophobicContact CD2-CG1 3.96Å; Y336-V360 HydrophobicContact CD2-CG2 4.37Å; Y336-V360 HydrophobicContact CE1-CG2 4.31Å; Y336-V360 HydrophobicContact CE2-CB 4.37Å; Y336-V360 HydrophobicContact CE2-CG1 4.26Å; Y336-V360 HydrophobicContact CE2-CG2 3.86Å; Y336-V360 HydrophobicContact CG-CG1 4.24Å; F353-V360 HydrophobicContact CD1-CG2 3.83Å; F353-V360 HydrophobicContact CE1-CG2 3.6Å; V360-F362 HydrophobicContact CG1-CD1 4.21Å; V360-F362 HydrophobicContact CG1-CE1 4.43Å; V360-S372 WeakPolarHBondContact O-CA 3.22Å; V360-W373 HydrophobicContact CB-CB 4.49Å; V360-W373 PolarHBondContact N-O 2.92Å; V360-W373 PolarHBondContact O-N 3.02Å
361L95.8Very high91.2Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-124.6134.4-173.5-52.2176.1000110.3P91 A351 A352 N354 L370 S372 F395 H397P91-L361 HydrophobicContact CB-CD2 3.83Å; P91-L361 HydrophobicContact CG-CD2 3.43Å; P91-L361 VanDerWaalsContact CG-CD2 3.43Å; A351-L361 WeakPolarHBondContact CA-O 3.29Å; A352-L361 PolarHBondContact N-O 2.95Å; A352-L361 PolarHBondContact O-N 3.34Å; N354-L361 HydrophobicContact CB-CD1 4.06Å; L361-L370 HydrophobicContact CB-CD1 4.48Å; L361-L370 HydrophobicContact CD2-CD2 4.46Å; L361-S372 VanDerWaalsContact CD2-CB 3.47Å; L361-F395 HydrophobicContact CB-CE1 3.9Å; L361-F395 HydrophobicContact CB-CZ 3.63Å; L361-F395 HydrophobicContact CD1-CZ 4.15Å; L361-H397 VanDerWaalsContact CD1-CD2 3.46Å; L361-H397 WeakPolarHBondContact CD1-CD2 3.37Å
362F94Very high91.2Very high7 Ų722.9 Ų22.93%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-15614117255.9-83.1000111V322 C338 I349 A351 V360 C371 W373V322-F362 HydrophobicContact CB-CD1 4.36Å; V322-F362 HydrophobicContact CB-CE1 4.2Å; V322-F362 HydrophobicContact CG2-CB 4.37Å; V322-F362 HydrophobicContact CG2-CD1 3.55Å; V322-F362 HydrophobicContact CG2-CD2 4.09Å; V322-F362 HydrophobicContact CG2-CE1 3.68Å; V322-F362 HydrophobicContact CG2-CE2 4.2Å; V322-F362 HydrophobicContact CG2-CG 3.76Å; V322-F362 HydrophobicContact CG2-CZ 4Å; C338-F362 HydrophobicContact CB-CE2 4.04Å; C338-F362 HydrophobicContact CB-CZ 4.4Å; I349-F362 HydrophobicContact CG2-CB 4.05Å; A351-F362 HydrophobicContact CB-CB 4.07Å; V360-F362 HydrophobicContact CG1-CD1 4.21Å; V360-F362 HydrophobicContact CG1-CE1 4.43Å; F362-C371 HydrophobicContact CD2-CB 4.35Å; F362-C371 HydrophobicContact CE1-CB 4.39Å; F362-C371 HydrophobicContact CE2-CB 3.96Å; F362-C371 HydrophobicContact CZ-CB 3.99Å; F362-C371 PolarHBondContact N-O 3.42Å; F362-C371 VanDerWaalsContact N-O 3.14Å; F362-C371 PolarHBondContact O-N 2.95Å; F362-W373 AromaticContact CE1-CD1 3.66Å; F362-W373 AromaticContact CE1-NE1 3.87Å; F362-W373 AromaticContact CZ-NE1 3.83Å
363P92.2Very high91.1Very high9 Ų923.1 Ų23.16%0.05812%0.121CC..EExtended strand (participates in β ladder)trans-73.5137.1177.429.5-33.5000111.1Q350 L386 V392 F395Q350-P363 WeakPolarHBondContact O-CD 3.41Å; P363-L386 HydrophobicContact CB-CD1 4.13Å; P363-V392 HydrophobicContact CB-CB 4.03Å; P363-V392 HydrophobicContact CB-CG1 3.99Å; P363-V392 HydrophobicContact CG-CB 4.42Å; P363-V392 HydrophobicContact CG-CG1 4.02Å; P363-F395 HydrophobicContact CG-CB 4.04Å; P363-F395 HydrophobicContact CG-CG 4.49Å
364E86.4Confident91Very high30 Ų3022.5 Ų22.514%0.1412%0.118CC..  trans-89.8127.5172.9-156-138.7111.200110.7C338 H366 S367 G368 C369C338-E364 HydrophobicContact CB-CG 4.23Å; E364-H366 PolarHBondContact O-N 3.45Å; E364-H366 VanDerWaalsContact OE1-CB 3.31Å; E364-H366 WeakPolarHBondContact OE1-CB 3.46Å; E364-H366 PolarHBondContact OE1-N 3.31Å; E364-S367 PolarHBondContact OE1-N 3.23Å; E364-S367 WeakPolarHBondContact OE2-CB 3.24Å; E364-S367 PolarHBondContact OE2-OG 3.43Å; E364-G368 PolarHBondContact O-N 2.98Å; E364-C369 PolarHBondContact N-O 3.11Å
365Q75.3Confident90.9Very high51 Ų5122.3 Ų22.324%0.23812%0.117CC..THydrogen-bonded Turntrans-67.7-38.3-174.8-176.4176.5-1.200113.3S345 H347 P391S345-Q365 PolarHBondContact OG-OE1 2.86Å; H347-Q365 PolarHBondContact CD2-NE2 3.12Å; H347-Q365 PolarHBondContact NE2-NE2 3.15Å; Q365-P391 HydrophobicContact CG-CB 4.36Å
366H75.7Confident90.7Very high183 Ų18321.3 Ų21.385%0.84711%0.112SC*.THydrogen-bonded Turntrans-85.5-43.3-169.2-173.759.8000112.1E364E364-H366 PolarHBondContact O-N 3.45Å; E364-H366 VanDerWaalsContact OE1-CB 3.31Å; E364-H366 WeakPolarHBondContact OE1-CB 3.46Å; E364-H366 PolarHBondContact OE1-N 3.31Å
367S81.5Confident90.6Very high56 Ų5622.5 Ų22.539%0.39212%0.12SC..THydrogen-bonded Turntrans-80.3-20.3179.483.40000114.2E364 C369E364-S367 PolarHBondContact OE1-N 3.23Å; E364-S367 WeakPolarHBondContact OE2-CB 3.24Å; E364-S367 PolarHBondContact OE2-OG 3.43Å; S367-C369 PolarHBondContact O-N 3.24Å; S367-C369 WeakPolarHBondContact OG-CB 3.06Å; S367-C369 PolarHBondContact OG-N 2.7Å; S367-C369 PolarHBondContact OG-SG 2.81Å
368G86.2Confident90.3Very high20 Ų2023.8 Ų23.821%0.20613%0.13CC..  trans6625.5-170.200000113.2E364 L386E364-G368 PolarHBondContact O-N 2.98Å; G368-L386 WeakPolarHBondContact O-CB 3.49Å; G368-L386 PolarHBondContact O-N 3.28Å
369C92Very high90.2Very high19 Ų1927.9 Ų27.913%0.12815%0.148CC..EExtended strand (participates in β ladder)trans-107.1160.7177.1-56.90000111.1E364 S367 V383 L384E364-C369 PolarHBondContact N-O 3.11Å; S367-C369 PolarHBondContact O-N 3.24Å; S367-C369 WeakPolarHBondContact OG-CB 3.06Å; S367-C369 PolarHBondContact OG-N 2.7Å; S367-C369 PolarHBondContact OG-SG 2.81Å; C369-V383 HydrophobicContact CB-CB 4.14Å; C369-L384 CarbonylContact C-O 3.59Å; C369-L384 VanDerWaalsContact CA-O 3.22Å; C369-L384 WeakPolarHBondContact CA-O 3.48Å; C369-L384 WeakPolarHBondContact CB-O 3.25Å
370L93.5Very high89.9Confident0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-88.1119.4164.5-168.171.6000108.8L361 V383 L384 L386 F395 F404L361-L370 HydrophobicContact CB-CD1 4.48Å; L361-L370 HydrophobicContact CD2-CD2 4.46Å; L370-V383 WeakPolarHBondContact O-CA 3.35Å; L370-L384 HydrophobicContact CB-CB 4.12Å; L370-L384 HydrophobicContact CD2-CD2 4.39Å; L370-L384 PolarHBondContact N-O 3.32Å; L370-L384 PolarHBondContact O-N 2.79Å; L370-L386 HydrophobicContact CB-CD1 4.29Å; L370-L386 HydrophobicContact CB-CD2 4.02Å; L370-L386 HydrophobicContact CB-CG 4.21Å; L370-F395 HydrophobicContact CD1-CD2 4.13Å; L370-F395 HydrophobicContact CD1-CE2 3.63Å; L370-F395 HydrophobicContact CD1-CZ 3.96Å; L370-F395 HydrophobicContact CD2-CE2 4.4Å; L370-F404 HydrophobicContact CD2-CE1 3.84Å; L370-F404 HydrophobicContact CD2-CE2 4.16Å; L370-F404 HydrophobicContact CD2-CZ 3.65Å
371C93.1Very high89.8Confident0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-82.3135.1168.1-510000107.9C338 F362C338-C371 HydrophobicContact CB-CB 4.2Å; C338-C371 WeakPolarHBondContact CB-SG 3.2Å; C338-C371 WeakPolarHBondContact SG-CB 3.16Å; C338-C371 CovalentContact SG-SG 2.08Å; C338-C371 PolarHBondContact SG-SG 3.03Å; F362-C371 HydrophobicContact CD2-CB 4.35Å; F362-C371 HydrophobicContact CE1-CB 4.39Å; F362-C371 HydrophobicContact CE2-CB 3.96Å; F362-C371 HydrophobicContact CZ-CB 3.99Å; F362-C371 PolarHBondContact N-O 3.42Å; F362-C371 VanDerWaalsContact N-O 3.14Å; F362-C371 PolarHBondContact O-N 2.95Å
372S94.6Very high89.6Confident1 Ų140.5 Ų40.51%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-131141.2177.858.10000111V360 L361 K381 R382V360-S372 WeakPolarHBondContact O-CA 3.22Å; L361-S372 VanDerWaalsContact CD2-CB 3.47Å; S372-K381 PolarHBondContact O-N 2.91Å; S372-K381 WeakPolarHBondContact OG-CB 3.49Å; S372-R382 PolarHBondContact OG-O 2.8Å
373W94.9Very high89.5Confident24 Ų2442.7 Ų42.79%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-135.9142.9-178.2-65.679.6000109.2Y336 T337 Y359 V360 F362 S375 C378 E379 R380Y336-W373 HydrophobicContact CD1-CB 3.54Å; Y336-W373 HydrophobicContact CD1-CD2 4.19Å; Y336-W373 HydrophobicContact CD1-CE3 4.35Å; Y336-W373 AromaticContact CD1-CG 3.84Å; Y336-W373 HydrophobicContact CD1-CG 3.84Å; Y336-W373 HydrophobicContact CE1-CB 4.2Å; Y336-W373 HydrophobicContact CG-CB 4.26Å; Y336-W373 HydrophobicContact CG-CG 4.25Å; T337-W373 WeakPolarHBondContact O-CZ2 3.18Å; Y359-W373 CarbonylContact C-O 3.5Å; Y359-W373 WeakPolarHBondContact CA-O 3.16Å; V360-W373 HydrophobicContact CB-CB 4.49Å; V360-W373 PolarHBondContact N-O 2.92Å; V360-W373 PolarHBondContact O-N 3.02Å; F362-W373 AromaticContact CE1-CD1 3.66Å; F362-W373 AromaticContact CE1-NE1 3.87Å; F362-W373 AromaticContact CZ-NE1 3.83Å; W373-S375 PolarHBondContact O-N 2.89Å; W373-C378 WeakPolarHBondContact CZ3-O 3.46Å; W373-E379 WeakPolarHBondContact CA-O 3.29Å; W373-R380 HydrophobicContact CD2-CB 4.13Å; W373-R380 HydrophobicContact CD2-CG 4.29Å; W373-R380 HydrophobicContact CE3-CB 3.81Å; W373-R380 HydrophobicContact CE3-CG 4.46Å; W373-R380 HydrophobicContact CH2-CB 3.6Å; W373-R380 HydrophobicContact CH2-CG 3.99Å; W373-R380 HydrophobicContact CZ2-CB 3.85Å; W373-R380 HydrophobicContact CZ2-CG 3.71Å; W373-R380 HydrophobicContact CZ3-CB 3.58Å; W373-R380 HydrophobicContact CZ3-CG 4.35Å
374D93.6Very high89.6Confident4 Ų442.8 Ų42.82%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-62.4123.3163.5-175.2-71.9000109.1P86 R376 T377 C378 E379P86-D374 WeakPolarHBondContact CG-OD2 3.09Å; D374-R376 VanDerWaalsContact C-N 3.27Å; D374-R376 PolarHBondContact O-N 3.05Å; D374-R376 PolarHBondContact OD1-N 3.5Å; D374-T377 VanDerWaalsContact CB-OG1 3.29Å; D374-T377 WeakPolarHBondContact CB-OG1 3.44Å; D374-T377 PolarHBondContact OD1-N 2.79Å; D374-T377 PolarHBondContact OD1-OG1 3.34Å; D374-C378 WeakPolarHBondContact O-CA 3.48Å; D374-C378 PolarHBondContact O-N 2.91Å; D374-E379 HydrophobicContact CB-CB 4.12Å; D374-E379 PolarHBondContact N-O 2.97Å
375S93.9Very high90Very high0 Ų045.4 Ų45.40%023%0.23CC..THydrogen-bonded Turntrans-64.2-33.6-173.762.10000112.2Y336 E357 D358 W373Y336-S375 PolarHBondContact OH-O 2.76Å; E357-S375 WeakPolarHBondContact O-CB 3.44Å; E357-S375 PolarHBondContact O-OG 3.08Å; D358-S375 PolarHBondContact O-N 3.02Å; D358-S375 PolarHBondContact O-OG 2.86Å; W373-S375 PolarHBondContact O-N 2.89Å
376R90.4Very high90.9Very high5 Ų543 Ų432%0.01922%0.219CC..THydrogen-bonded Turntrans-86.8-41.2-173.1-66.1169.8175.587.43.3112P40 C75 L76 M78 D81 M334 D358 D374P40-R376 WeakPolarHBondContact CB-O 3.18Å; C75-R376 PolarHBondContact O-NH2 3.29Å; L76-R376 HydrophobicContact CD1-CG 3.49Å; L76-R376 VanDerWaalsContact CD1-CG 3.49Å; M78-R376 WeakPolarHBondContact CE-O 3.39Å; M78-R376 HydrophobicContact SD-CB 4.38Å; M78-R376 HydrophobicContact SD-CG 4.26Å; D81-R376 WeakPolarHBondContact O-CD 3.19Å; D81-R376 PolarHBondContact O-NE 3.03Å; M334-R376 WeakPolarHBondContact CE-O 3.41Å; D358-R376 IonicContact OD1-CZ 3.15Å; D358-R376 IonicContact OD1-NH1 2.93Å; D358-R376 PolarHBondContact OD1-NH1 2.94Å; D358-R376 IonicContact OD1-NH2 3.96Å; D374-R376 VanDerWaalsContact C-N 3.27Å; D374-R376 PolarHBondContact O-N 3.05Å; D374-R376 PolarHBondContact OD1-N 3.5Å
377T88.5Confident91.7Very high38 Ų3836.4 Ų36.423%0.23320%0.201CC..THydrogen-bonded Turntrans-102-11.2-171.659.90000113.8P38 P40 D374 E379P38-T377 HydrophobicContact CB-CG2 4.02Å; P40-T377 HydrophobicContact CG-CG2 4.48Å; D374-T377 VanDerWaalsContact CB-OG1 3.29Å; D374-T377 WeakPolarHBondContact CB-OG1 3.44Å; D374-T377 PolarHBondContact OD1-N 2.79Å; D374-T377 PolarHBondContact OD1-OG1 3.34Å; T377-E379 PolarHBondContact O-N 3.09Å; T377-E379 WeakPolarHBondContact OG1-CB 3.23Å; T377-E379 PolarHBondContact OG1-N 2.93Å
378C89Confident92.3Very high33 Ų3334.8 Ų34.822%0.22319%0.187CC..  trans56.129.5-169.2-164.20000111.8M334 A335 Y336 W373 D374M334-C378 HydrophobicContact SD-CB 3.96Å; A335-C378 PolarHBondContact O-SG 2.82Å; Y336-C378 HydrophobicContact CD1-CB 4.25Å; Y336-C378 HydrophobicContact CE1-CB 4.12Å; W373-C378 WeakPolarHBondContact CZ3-O 3.46Å; D374-C378 WeakPolarHBondContact O-CA 3.48Å; D374-C378 PolarHBondContact O-N 2.91Å
379E90.3Very high92.6Very high91 Ų9140 Ų4043%0.42522%0.215SC..PPolyproline II helixtrans-80124.8171.9-166.9-159.114200109.6W373 D374 T377 K381W373-E379 WeakPolarHBondContact CA-O 3.29Å; D374-E379 HydrophobicContact CB-CB 4.12Å; D374-E379 PolarHBondContact N-O 2.97Å; T377-E379 PolarHBondContact O-N 3.09Å; T377-E379 WeakPolarHBondContact OG1-CB 3.23Å; T377-E379 PolarHBondContact OG1-N 2.93Å; E379-K381 IonicContact OE1-NZ 3.4Å; E379-K381 PolarHBondContact OE1-NZ 3.2Å; E379-K381 IonicContact OE2-NZ 3.9Å; E379-K381 PolarHBondContact OE2-NZ 2.53Å
380R91.1Very high92.7Very high73 Ų7340.5 Ų40.528%0.27522%0.221SC..BIsolated β-bridgetrans-70.8133.4177.7-170173.5174.8157.1-3.4110.9C338 W373C338-R380 PolarHBondContact SG-NH2 2.86Å; W373-R380 HydrophobicContact CD2-CB 4.13Å; W373-R380 HydrophobicContact CD2-CG 4.29Å; W373-R380 HydrophobicContact CE3-CB 3.81Å; W373-R380 HydrophobicContact CE3-CG 4.46Å; W373-R380 HydrophobicContact CH2-CB 3.6Å; W373-R380 HydrophobicContact CH2-CG 3.99Å; W373-R380 HydrophobicContact CZ2-CB 3.85Å; W373-R380 HydrophobicContact CZ2-CG 3.71Å; W373-R380 HydrophobicContact CZ3-CB 3.58Å; W373-R380 HydrophobicContact CZ3-CG 4.35Å
381K93Very high92.7Very high35 Ų3542.4 Ų42.415%0.15223%0.233CC..PPolyproline II helixtrans-101.2170.5173.2-57.7-58.6170.6-174.90111E90 Y359 S372 E379 V383E90-K381 HydrophobicContact CG-CB 4.21Å; E90-K381 WeakPolarHBondContact OE1-CB 3.22Å; Y359-K381 HydrophobicContact CD1-CG 4.25Å; Y359-K381 HydrophobicContact CE1-CD 4.41Å; Y359-K381 HydrophobicContact CE1-CG 3.87Å; S372-K381 PolarHBondContact O-N 2.91Å; S372-K381 WeakPolarHBondContact OG-CB 3.49Å; E379-K381 IonicContact OE1-NZ 3.4Å; E379-K381 PolarHBondContact OE1-NZ 3.2Å; E379-K381 IonicContact OE2-NZ 3.9Å; E379-K381 PolarHBondContact OE2-NZ 2.53Å; K381-V383 PolarHBondContact O-N 3.08Å
382R92.2Very high92.7Very high172 Ų17243.3 Ų43.365%0.64924%0.238SC*.PPolyproline II helixtrans-61.6140.3-178-172.8-174.6-54.2179.74109.7E90 A92 S372E90-R382 VanDerWaalsContact OE1-CB 3.23Å; E90-R382 WeakPolarHBondContact OE1-CB 3.36Å; E90-R382 PolarHBondContact OE1-N 3.13Å; A92-R382 HydrophobicContact CB-CB 3.66Å; A92-R382 HydrophobicContact CB-CG 3.98Å; S372-R382 PolarHBondContact OG-O 2.8Å
383V92.2Very high92.7Very high52 Ų5245.7 Ų45.732%0.31525%0.247SC..PPolyproline II helixtrans-73.3144.3176.2-630000110.4C369 L370 K381C369-V383 HydrophobicContact CB-CB 4.14Å; L370-V383 WeakPolarHBondContact O-CA 3.35Å; K381-V383 PolarHBondContact O-N 3.08Å
384L94.6Very high92.7Very high11 Ų1144.7 Ų44.76%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-104.2117.617317769.9000109.6Y94 C369 L370 L386 F404 W416Y94-L384 WeakPolarHBondContact O-CD1 3.16Å; C369-L384 CarbonylContact C-O 3.59Å; C369-L384 VanDerWaalsContact CA-O 3.22Å; C369-L384 WeakPolarHBondContact CA-O 3.48Å; C369-L384 WeakPolarHBondContact CB-O 3.25Å; L370-L384 HydrophobicContact CB-CB 4.12Å; L370-L384 HydrophobicContact CD2-CD2 4.39Å; L370-L384 PolarHBondContact N-O 3.32Å; L370-L384 PolarHBondContact O-N 2.79Å; L384-L386 HydrophobicContact CD2-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.16Å; L384-F404 HydrophobicContact CD2-CE1 4.25Å; L384-F404 HydrophobicContact CD2-CZ 3.64Å; L384-W416 HydrophobicContact CD1-CZ3 4.23Å; L384-W416 HydrophobicContact CD2-CD2 4.45Å; L384-W416 HydrophobicContact CD2-CE3 3.82Å; L384-W416 HydrophobicContact CD2-CZ3 3.89Å; L384-W416 HydrophobicContact CG-CZ3 4.17Å
385P94.3Very high92.8Very high85 Ų8544.8 Ų44.855%0.55225%0.245SC*.EExtended strand (participates in β ladder)trans-65119.9171.7-19.532.6000110.6G387 W416P385-G387 VanDerWaalsContact C-N 3.27Å; P385-G387 PolarHBondContact O-N 2.82Å; P385-W416 WeakPolarHBondContact O-CH2 3.34Å
386L94.5Very high92.9Very high0 Ų045.7 Ų45.70%025%0.252CS..  trans-79.7-12.3-177.8-64.3170.8000112.7P363 G368 L370 L384 H388 V392 F404 T406 R414 W416P363-L386 HydrophobicContact CB-CD1 4.13Å; G368-L386 WeakPolarHBondContact O-CB 3.49Å; G368-L386 PolarHBondContact O-N 3.28Å; L370-L386 HydrophobicContact CB-CD1 4.29Å; L370-L386 HydrophobicContact CB-CD2 4.02Å; L370-L386 HydrophobicContact CB-CG 4.21Å; L384-L386 HydrophobicContact CD2-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.16Å; L386-H388 PolarHBondContact O-N 3.04Å; L386-V392 HydrophobicContact CD1-CG2 3.84Å; L386-F404 HydrophobicContact CD2-CE2 4.04Å; L386-F404 HydrophobicContact CD2-CZ 4.33Å; L386-T406 HydrophobicContact CD1-CG2 4.1Å; L386-T406 HydrophobicContact CD2-CG2 3.96Å; L386-R414 PolarHBondContact O-NH1 3.11Å; L386-W416 VanDerWaalsContact CA-CZ2 3.5Å; L386-W416 HydrophobicContact CB-CH2 4.46Å; L386-W416 HydrophobicContact CB-CZ2 3.99Å; L386-W416 HydrophobicContact CD2-CD2 4.47Å; L386-W416 HydrophobicContact CD2-CH2 4.14Å; L386-W416 HydrophobicContact CD2-CZ2 3.59Å; L386-W416 HydrophobicContact CG-CZ2 4.44Å; L386-W416 WeakPolarHBondContact O-CH2 3.34Å; L386-W416 WeakPolarHBondContact O-CZ2 3.44Å
387G92.2Very high93.2Very high46 Ų4646.5 Ų46.547%0.47426%0.256SS..  trans63.58.4176.600000115.4P385 R414P385-G387 VanDerWaalsContact C-N 3.27Å; P385-G387 PolarHBondContact O-N 2.82Å; G387-R414 VanDerWaalsContact O-CZ 3.26Å; G387-R414 PolarHBondContact O-NH1 3.38Å; G387-R414 PolarHBondContact O-NH2 3.41Å
388H93.9Very high93.6Very high21 Ų2144.7 Ų44.710%0.09725%0.245CC..  trans-68.2144.8170.5-77.6-72.7000110.5L386 A390 V392 T406 S408 D410 R412L386-H388 PolarHBondContact O-N 3.04Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 WeakPolarHBondContact CB-O 3.19Å; H388-V392 HydrophobicContact CB-CG2 4.48Å; H388-T406 PolarHBondContact NE2-OG1 2.85Å; H388-S408 WeakPolarHBondContact ND1-CB 3.49Å; H388-D410 WeakPolarHBondContact CA-OD2 3.33Å; H388-D410 WeakPolarHBondContact CB-OD2 3.48Å; H388-D410 IonicContact CE1-OD1 3.95Å; H388-D410 IonicContact CE1-OD2 3.51Å; H388-D410 IonicContact CG-OD2 3.31Å; H388-D410 VanDerWaalsContact ND1-CG 3.28Å; H388-D410 IonicContact ND1-OD1 2.81Å; H388-D410 PolarHBondContact ND1-OD1 2.62Å; H388-D410 VanDerWaalsContact ND1-OD1 3.12Å; H388-D410 IonicContact ND1-OD2 2.94Å; H388-D410 PolarHBondContact ND1-OD2 3.16Å; H388-R412 PolarHBondContact CE1-O 3.46Å
389T93.8Very high93.9Very high130 Ų13045.5 Ų45.580%0.79825%0.249SC*.SBendtrans-91.10.2178.556.60000113D410T389-D410 PolarHBondContact N-OD2 3.22Å; T389-D410 WeakPolarHBondContact OG1-CB 3.4Å
390A93.3Very high94.1Very high30 Ų3045.2 Ų45.225%0.24825%0.254CS..SBendtrans-146.8166.9177.600000110.3H388 V392 S408 D409 D410H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 WeakPolarHBondContact CB-O 3.19Å; A390-V392 PolarHBondContact O-N 3.18Å; A390-S408 PolarHBondContact O-OG 2.63Å; A390-D409 HydrophobicContact CB-CB 3.99Å; A390-D410 HydrophobicContact CB-CB 3.9Å
391P92.4Very high94.1Very high40 Ų4043.3 Ų43.326%0.2625%0.248SC..  trans-56.2138.7-176.7-27.636.6000113.7Q365 S408 D409Q365-P391 HydrophobicContact CG-CB 4.36Å; P391-S408 WeakPolarHBondContact O-CA 3.38Å; P391-S408 PolarHBondContact O-OG 2.96Å; P391-S408 VanDerWaalsContact O-OG 3.07Å; P391-D409 PolarHBondContact O-N 3.3Å
392V94.3Very high94.2Very high18 Ų1843 Ų4311%0.10925%0.249CC..EExtended strand (participates in β ladder)trans-73.2130.4169.91780000109P363 L386 H388 A390 A394 T406 C407P363-V392 HydrophobicContact CB-CB 4.03Å; P363-V392 HydrophobicContact CB-CG1 3.99Å; P363-V392 HydrophobicContact CG-CB 4.42Å; P363-V392 HydrophobicContact CG-CG1 4.02Å; L386-V392 HydrophobicContact CD1-CG2 3.84Å; H388-V392 HydrophobicContact CB-CG2 4.48Å; A390-V392 PolarHBondContact O-N 3.18Å; V392-A394 WeakPolarHBondContact CG1-O 3.45Å; V392-T406 HydrophobicContact CG1-CG2 4.3Å; V392-C407 CarbonylContact C-O 3.6Å; V392-C407 WeakPolarHBondContact CA-O 3.48Å; V392-C407 WeakPolarHBondContact CG1-O 3.39Å
393R94Very high94.3Very high52 Ų5234.8 Ų34.820%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-114-21.7-173.3-61.1-55.6-60.4-110.4-0.6114C407 D409R393-C407 PolarHBondContact N-O 3.45Å; R393-D409 VanDerWaalsContact CD-OD2 3.31Å; R393-D409 WeakPolarHBondContact CD-OD2 3.41Å; R393-D409 HydrophobicContact CG-CB 4.41Å; R393-D409 VanDerWaalsContact CG-CG 3.46Å; R393-D409 VanDerWaalsContact CG-OD1 3.32Å; R393-D409 WeakPolarHBondContact CG-OD1 3.39Å; R393-D409 WeakPolarHBondContact CG-OD2 3.4Å; R393-D409 IonicContact CZ-OD2 3.48Å; R393-D409 IonicContact NH1-OD1 3.93Å; R393-D409 IonicContact NH1-OD2 2.99Å; R393-D409 PolarHBondContact NH1-OD2 3.49Å
394A95Very high94.6Very high3 Ų332.3 Ų32.33%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-143.1145.1170.900000110.7C109 V392 C407C109-A394 VanDerWaalsContact SG-CB 3.59Å; V392-A394 WeakPolarHBondContact CG1-O 3.45Å; A394-C407 HydrophobicContact CB-CB 3.99Å; A394-C407 PolarHBondContact N-O 3.35Å; A394-C407 PolarHBondContact O-N 3.19Å
395F95.6Very high94.7Very high6 Ų632 Ų323%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-144.9129.4-178.5169.6-101.1000108.4Q350 A352 L361 P363 L370 F404 I405 T406Q350-F395 HydrophobicContact CB-CB 4.42Å; Q350-F395 PolarHBondContact OE1-O 3.01Å; A352-F395 HydrophobicContact CB-CD1 4.36Å; A352-F395 HydrophobicContact CB-CE1 3.83Å; L361-F395 HydrophobicContact CB-CE1 3.9Å; L361-F395 HydrophobicContact CB-CZ 3.63Å; L361-F395 HydrophobicContact CD1-CZ 4.15Å; P363-F395 HydrophobicContact CG-CB 4.04Å; P363-F395 HydrophobicContact CG-CG 4.49Å; L370-F395 HydrophobicContact CD1-CD2 4.13Å; L370-F395 HydrophobicContact CD1-CE2 3.63Å; L370-F395 HydrophobicContact CD1-CZ 3.96Å; L370-F395 HydrophobicContact CD2-CE2 4.4Å; F395-F404 HydrophobicContact CD2-CD2 4.07Å; F395-F404 HydrophobicContact CE2-CB 3.9Å; F395-F404 AromaticContact CE2-CD2 3.49Å; F395-F404 HydrophobicContact CE2-CD2 3.49Å; F395-F404 VanDerWaalsContact CE2-CD2 3.49Å; F395-F404 HydrophobicContact CE2-CE2 4.11Å; F395-F404 AromaticContact CE2-CG 3.73Å; F395-F404 HydrophobicContact CE2-CG 3.73Å; F395-F404 HydrophobicContact CZ-CB 4.32Å; F395-F404 HydrophobicContact CZ-CG 4.39Å; F395-I405 WeakPolarHBondContact CA-O 3.47Å; F395-T406 HydrophobicContact CD2-CG2 3.9Å
396A96.7Very high94.9Very high19 Ų1928 Ų2816%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-138.4138.2173.600000109F111 F404 I405F111-A396 HydrophobicContact CD2-CB 4.03Å; F111-A396 HydrophobicContact CE2-CB 4.3Å; F111-A396 WeakPolarHBondContact CE2-O 3.29Å; A396-F404 CarbonylContact O-C 3.54Å; A396-F404 WeakPolarHBondContact O-CA 3.42Å; A396-F404 VanDerWaalsContact O-CB 3.29Å; A396-F404 WeakPolarHBondContact O-CB 3.09Å; A396-I405 HydrophobicContact CB-CG2 4.08Å; A396-I405 PolarHBondContact N-O 2.86Å; A396-I405 VanDerWaalsContact N-O 3.12Å; A396-I405 PolarHBondContact O-N 2.84Å
397H97.3Very high95Very high21 Ų2128 Ų2810%0.09718%0.176CC..EExtended strand (participates in β ladder)trans-94.7146.3171.6-163.3-78.2000110A352 F353 Q355 L361 Q401 A403 F404A352-H397 HydrophobicContact CB-CB 4.3Å; F353-H397 WeakPolarHBondContact O-CB 3.32Å; Q355-H397 PolarHBondContact N-CE1 3.47Å; Q355-H397 VanDerWaalsContact N-CE1 3.29Å; Q355-H397 PolarHBondContact N-ND1 3.2Å; Q355-H397 PolarHBondContact OE1-CE1 3.18Å; L361-H397 VanDerWaalsContact CD1-CD2 3.46Å; L361-H397 WeakPolarHBondContact CD1-CD2 3.37Å; H397-Q401 PolarHBondContact CE1-O 2.93Å; H397-Q401 VanDerWaalsContact CE1-O 3.25Å; H397-A403 PolarHBondContact CE1-O 3.32Å; H397-A403 VanDerWaalsContact CE1-O 3.31Å; H397-A403 PolarHBondContact ND1-O 3.37Å; H397-A403 PolarHBondContact NE2-O 3.18Å; H397-F404 HydrophobicContact CB-CB 4.4Å
398S96.7Very high95.2Very high1 Ų125.8 Ų25.81%0.00715%0.153CC..  trans-64.8138.2173.6-178.60000110.5Q355 V400 Q401 A403Q355-S398 WeakPolarHBondContact CB-O 3.29Å; S398-V400 VanDerWaalsContact C-N 3.27Å; S398-V400 PolarHBondContact O-N 3.35Å; S398-Q401 WeakPolarHBondContact OG-CG 3.28Å; S398-A403 VanDerWaalsContact CB-O 3.27Å; S398-A403 WeakPolarHBondContact CB-O 3.13Å; S398-A403 PolarHBondContact N-O 3.36Å
399P94.6Very high95.3Very high49 Ų4926.2 Ų26.232%0.31816%0.156SC..SBendtrans-71.7-19.5179.626.2-32.8000113.9N112 N113N112-P399 WeakPolarHBondContact O-CG 3.43Å; N113-P399 VanDerWaalsContact O-CG 3.27Å; N113-P399 WeakPolarHBondContact O-CG 3.31Å
400V93.5Very high95.4Very high85 Ų8520.9 Ų20.952%0.51512%0.123SC..SBendtrans-120.7-21.8-169.2-58.20000115.1D114 S398D114-V400 WeakPolarHBondContact O-CG2 3.31Å; S398-V400 VanDerWaalsContact C-N 3.27Å; S398-V400 PolarHBondContact O-N 3.35Å
401Q92.4Very high95.6Very high33 Ų3324.4 Ų24.415%0.15413%0.131CC..SBendtrans-134.1158.4-171.653.9177.6-22.900112.2G115 H397 S398 A403 Y415G115-Q401 PolarHBondContact O-NE2 3.15Å; H397-Q401 PolarHBondContact CE1-O 2.93Å; H397-Q401 VanDerWaalsContact CE1-O 3.25Å; S398-Q401 WeakPolarHBondContact OG-CG 3.28Å; Q401-A403 HydrophobicContact CG-CB 3.89Å; Q401-A403 PolarHBondContact O-N 3.04Å; Q401-Y415 PolarHBondContact NE2-OH 3.4Å; Q401-Y415 VanDerWaalsContact NE2-OH 3.14Å
402P94.2Very high95.8Very high28 Ų2828 Ų2818%0.18214%0.139CC..SBendtrans-71.370.617431.3-36.7000110.6P89 Y94 Y417 R418P89-P402 HydrophobicContact CG-CB 4.08Å; Y94-P402 HydrophobicContact CE1-CB 4.28Å; Y94-P402 WeakPolarHBondContact CE1-O 3.43Å; Y94-P402 VanDerWaalsContact OH-CA 3.22Å; Y94-P402 WeakPolarHBondContact OH-CA 2.93Å; Y94-P402 WeakPolarHBondContact OH-CB 3.32Å; P402-Y417 HydrophobicContact CG-CE2 4.42Å; P402-Y417 WeakPolarHBondContact O-CD2 3.43Å; P402-R418 PolarHBondContact O-N 2.9Å
403A95.8Very high96Very high0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-146.8151.4-17800000111.1H397 S398 Q401 Y415 W416 Y417H397-A403 PolarHBondContact CE1-O 3.32Å; H397-A403 VanDerWaalsContact CE1-O 3.31Å; H397-A403 PolarHBondContact ND1-O 3.37Å; H397-A403 PolarHBondContact NE2-O 3.18Å; S398-A403 VanDerWaalsContact CB-O 3.27Å; S398-A403 WeakPolarHBondContact CB-O 3.13Å; S398-A403 PolarHBondContact N-O 3.36Å; Q401-A403 HydrophobicContact CG-CB 3.89Å; Q401-A403 PolarHBondContact O-N 3.04Å; A403-Y415 HydrophobicContact CB-CE1 4.26Å; A403-Y415 HydrophobicContact CB-CE2 4.1Å; A403-Y415 WeakPolarHBondContact CB-OH 3.32Å; A403-W416 CarbonylContact C-O 3.56Å; A403-W416 WeakPolarHBondContact CA-O 3.32Å; A403-W416 WeakPolarHBondContact CB-O 3.41Å; A403-Y417 HydrophobicContact CB-CD2 3.79Å
404F97.4Very high96.1Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-149.9165.3174.362.9-97.4000111.4Y94 L370 L384 L386 F395 A396 H397 T406 W416Y94-F404 AromaticContact CD1-CD1 3.55Å; Y94-F404 HydrophobicContact CD1-CD1 3.55Å; Y94-F404 AromaticContact CD1-CE1 3.3Å; Y94-F404 HydrophobicContact CD1-CE1 3.3Å; Y94-F404 HydrophobicContact CD1-CZ 4.41Å; Y94-F404 AromaticContact CE1-CD1 3.7Å; Y94-F404 HydrophobicContact CE1-CD1 3.7Å; Y94-F404 AromaticContact CE1-CE1 3.87Å; Y94-F404 HydrophobicContact CE1-CE1 3.87Å; Y94-F404 AromaticContact CG-CE1 3.86Å; Y94-F404 HydrophobicContact CG-CE1 3.86Å; L370-F404 HydrophobicContact CD2-CE1 3.84Å; L370-F404 HydrophobicContact CD2-CE2 4.16Å; L370-F404 HydrophobicContact CD2-CZ 3.65Å; L384-F404 HydrophobicContact CD2-CE1 4.25Å; L384-F404 HydrophobicContact CD2-CZ 3.64Å; L386-F404 HydrophobicContact CD2-CE2 4.04Å; L386-F404 HydrophobicContact CD2-CZ 4.33Å; F395-F404 HydrophobicContact CD2-CD2 4.07Å; F395-F404 HydrophobicContact CE2-CB 3.9Å; F395-F404 AromaticContact CE2-CD2 3.49Å; F395-F404 HydrophobicContact CE2-CD2 3.49Å; F395-F404 VanDerWaalsContact CE2-CD2 3.49Å; F395-F404 HydrophobicContact CE2-CE2 4.11Å; F395-F404 AromaticContact CE2-CG 3.73Å; F395-F404 HydrophobicContact CE2-CG 3.73Å; F395-F404 HydrophobicContact CZ-CB 4.32Å; F395-F404 HydrophobicContact CZ-CG 4.39Å; A396-F404 CarbonylContact O-C 3.54Å; A396-F404 WeakPolarHBondContact O-CA 3.42Å; A396-F404 VanDerWaalsContact O-CB 3.29Å; A396-F404 WeakPolarHBondContact O-CB 3.09Å; H397-F404 HydrophobicContact CB-CB 4.4Å; F404-T406 HydrophobicContact CD2-CG2 4.03Å; F404-T406 HydrophobicContact CE2-CG2 3.88Å; F404-W416 HydrophobicContact CD1-CB 3.99Å; F404-W416 HydrophobicContact CD2-CB 3.81Å; F404-W416 AromaticContact CD2-CD1 3.52Å; F404-W416 AromaticContact CD2-CG 3.79Å; F404-W416 HydrophobicContact CD2-CG 3.79Å; F404-W416 HydrophobicContact CE1-CB 3.65Å; F404-W416 HydrophobicContact CE1-CG 4.15Å; F404-W416 HydrophobicContact CE2-CB 3.49Å; F404-W416 VanDerWaalsContact CE2-CB 3.49Å; F404-W416 AromaticContact CE2-CD1 3.09Å; F404-W416 AromaticContact CE2-CD2 3.78Å; F404-W416 HydrophobicContact CE2-CD2 3.78Å; F404-W416 AromaticContact CE2-CG 3.16Å; F404-W416 HydrophobicContact CE2-CG 3.16Å; F404-W416 AromaticContact CE2-NE1 3.63Å; F404-W416 HydrophobicContact CG-CB 4.04Å; F404-W416 HydrophobicContact CG-CG 4.5Å; F404-W416 HydrophobicContact CZ-CB 3.37Å; F404-W416 AromaticContact CZ-CD1 3.8Å; F404-W416 AromaticContact CZ-CD2 3.73Å; F404-W416 HydrophobicContact CZ-CD2 3.73Å; F404-W416 HydrophobicContact CZ-CE3 4.24Å; F404-W416 AromaticContact CZ-CG 3.34Å; F404-W416 HydrophobicContact CZ-CG 3.34Å; F404-W416 PolarHBondContact N-O 2.92Å; F404-W416 PolarHBondContact O-N 3.38Å
405I97.6Very high96.2Very high5 Ų526.2 Ų26.23%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-121.6138.4174.1-171.7164.3000111C109 F111 V118 T120 F395 A396 A413 R414C109-I405 HydrophobicContact CB-CD1 4.49Å; C109-I405 HydrophobicContact CB-CG2 3.68Å; F111-I405 HydrophobicContact CD2-CG2 4.35Å; F111-I405 HydrophobicContact CE2-CB 4.28Å; F111-I405 HydrophobicContact CE2-CG2 3.7Å; F111-I405 HydrophobicContact CZ-CB 4.5Å; F111-I405 HydrophobicContact CZ-CG2 4.35Å; V118-I405 HydrophobicContact CG1-CB 4.36Å; V118-I405 HydrophobicContact CG1-CD1 3.33Å; V118-I405 HydrophobicContact CG1-CG1 4.4Å; V118-I405 HydrophobicContact CG1-CG2 4.05Å; T120-I405 HydrophobicContact CG2-CD1 3.45Å; T120-I405 VanDerWaalsContact CG2-CD1 3.45Å; F395-I405 WeakPolarHBondContact CA-O 3.47Å; A396-I405 HydrophobicContact CB-CG2 4.08Å; A396-I405 PolarHBondContact N-O 2.86Å; A396-I405 VanDerWaalsContact N-O 3.12Å; A396-I405 PolarHBondContact O-N 2.84Å; I405-A413 HydrophobicContact CD1-CB 4.04Å; I405-A413 HydrophobicContact CG1-CB 4.42Å; I405-R414 WeakPolarHBondContact CA-O 3.28Å; I405-R414 WeakPolarHBondContact CG1-O 3.17Å
406T97.3Very high96.3Very high0 Ų026.4 Ų26.40%013%0.13CC..EExtended strand (participates in β ladder)trans-116.1138.1171.654.30000110.3L386 H388 V392 F395 F404 A413 R414 W416L386-T406 HydrophobicContact CD1-CG2 4.1Å; L386-T406 HydrophobicContact CD2-CG2 3.96Å; H388-T406 PolarHBondContact NE2-OG1 2.85Å; V392-T406 HydrophobicContact CG1-CG2 4.3Å; F395-T406 HydrophobicContact CD2-CG2 3.9Å; F404-T406 HydrophobicContact CD2-CG2 4.03Å; F404-T406 HydrophobicContact CE2-CG2 3.88Å; T406-A413 CarbonylContact O-C 3.57Å; T406-A413 WeakPolarHBondContact O-CA 3.4Å; T406-R414 PolarHBondContact N-O 3.08Å; T406-R414 PolarHBondContact O-N 3.14Å; T406-W416 PolarHBondContact OG1-NE1 3.19Å
407C96.9Very high96.1Very high0 Ų027.7 Ų27.70%013%0.132CC..EExtended strand (participates in β ladder)trans-121.5132.9174.5-99.20000109.9C106 V392 R393 A394 A413C106-C407 HydrophobicContact CB-CB 3.49Å; C106-C407 VanDerWaalsContact CB-CB 3.49Å; C106-C407 WeakPolarHBondContact CB-SG 3.32Å; C106-C407 WeakPolarHBondContact SG-CB 3.33Å; C106-C407 CovalentContact SG-SG 2.05Å; C106-C407 PolarHBondContact SG-SG 2.72Å; V392-C407 CarbonylContact C-O 3.6Å; V392-C407 WeakPolarHBondContact CA-O 3.48Å; V392-C407 WeakPolarHBondContact CG1-O 3.39Å; R393-C407 PolarHBondContact N-O 3.45Å; A394-C407 HydrophobicContact CB-CB 3.99Å; A394-C407 PolarHBondContact N-O 3.35Å; A394-C407 PolarHBondContact O-N 3.19Å; C407-A413 WeakPolarHBondContact SG-CB 3.32Å
408S96Very high95.7Very high0 Ų029 Ų290%014%0.136CC..EExtended strand (participates in β ladder)trans-129.2160.1-172169.10000113.1C106 H388 A390 P391 D410 Y411 R412C106-S408 PolarHBondContact N-O 3.09Å; H388-S408 WeakPolarHBondContact ND1-CB 3.49Å; A390-S408 PolarHBondContact O-OG 2.63Å; P391-S408 WeakPolarHBondContact O-CA 3.38Å; P391-S408 PolarHBondContact O-OG 2.96Å; P391-S408 VanDerWaalsContact O-OG 3.07Å; S408-D410 VanDerWaalsContact CB-OD1 3.23Å; S408-D410 WeakPolarHBondContact CB-OD1 3.23Å; S408-D410 PolarHBondContact O-N 3.17Å; S408-D410 VanDerWaalsContact O-N 3.15Å; S408-D410 PolarHBondContact OG-N 3.31Å; S408-D410 VanDerWaalsContact OG-N 3.08Å; S408-D410 PolarHBondContact OG-OD1 2.81Å; S408-Y411 PolarHBondContact O-N 3.49Å; S408-R412 PolarHBondContact N-O 3.29Å; S408-R412 VanDerWaalsContact N-O 3.11Å
409D95.6Very high94.7Very high30 Ų3033.8 Ų33.816%0.1616%0.156CC..THydrogen-bonded Turntrans-65.2-2167.9-74.2-30000112.2V105 R107 A390 P391 R393 Y411V105-D409 HydrophobicContact CB-CB 4.48Å; V105-D409 VanDerWaalsContact CB-OD1 3.32Å; V105-D409 WeakPolarHBondContact CB-OD1 3.32Å; V105-D409 HydrophobicContact CG1-CB 3.87Å; V105-D409 VanDerWaalsContact CG1-OD1 3.27Å; V105-D409 WeakPolarHBondContact CG1-OD1 3.39Å; R107-D409 IonicContact CZ-OD1 3.74Å; R107-D409 IonicContact NE-OD1 3.69Å; R107-D409 PolarHBondContact NE-OD1 2.78Å; R107-D409 IonicContact NH2-OD1 3.12Å; R107-D409 PolarHBondContact NH2-OD1 3.15Å; R107-D409 IonicContact NH2-OD2 2.81Å; A390-D409 HydrophobicContact CB-CB 3.99Å; P391-D409 PolarHBondContact O-N 3.3Å; R393-D409 VanDerWaalsContact CD-OD2 3.31Å; R393-D409 WeakPolarHBondContact CD-OD2 3.41Å; R393-D409 HydrophobicContact CG-CB 4.41Å; R393-D409 VanDerWaalsContact CG-CG 3.46Å; R393-D409 VanDerWaalsContact CG-OD1 3.32Å; R393-D409 WeakPolarHBondContact CG-OD1 3.39Å; R393-D409 WeakPolarHBondContact CG-OD2 3.4Å; R393-D409 IonicContact CZ-OD2 3.48Å; R393-D409 IonicContact NH1-OD1 3.93Å; R393-D409 IonicContact NH1-OD2 2.99Å; R393-D409 PolarHBondContact NH1-OD2 3.49Å; D409-Y411 WeakPolarHBondContact O-CD1 3.39Å; D409-Y411 VanDerWaalsContact O-CE1 3.25Å; D409-Y411 WeakPolarHBondContact O-CE1 3.36Å; D409-Y411 PolarHBondContact O-N 2.69Å
410D96.1Very high93.6Very high19 Ų1935.3 Ų35.310%0.10217%0.173CC..THydrogen-bonded Turntrans-83.58.4170.275.5-3.6000113.8H388 T389 A390 S408 R412H388-D410 WeakPolarHBondContact CA-OD2 3.33Å; H388-D410 WeakPolarHBondContact CB-OD2 3.48Å; H388-D410 IonicContact CE1-OD1 3.95Å; H388-D410 IonicContact CE1-OD2 3.51Å; H388-D410 IonicContact CG-OD2 3.31Å; H388-D410 VanDerWaalsContact ND1-CG 3.28Å; H388-D410 IonicContact ND1-OD1 2.81Å; H388-D410 PolarHBondContact ND1-OD1 2.62Å; H388-D410 VanDerWaalsContact ND1-OD1 3.12Å; H388-D410 IonicContact ND1-OD2 2.94Å; H388-D410 PolarHBondContact ND1-OD2 3.16Å; T389-D410 PolarHBondContact N-OD2 3.22Å; T389-D410 WeakPolarHBondContact OG1-CB 3.4Å; A390-D410 HydrophobicContact CB-CB 3.9Å; S408-D410 VanDerWaalsContact CB-OD1 3.23Å; S408-D410 WeakPolarHBondContact CB-OD1 3.23Å; S408-D410 PolarHBondContact O-N 3.17Å; S408-D410 VanDerWaalsContact O-N 3.15Å; S408-D410 PolarHBondContact OG-N 3.31Å; S408-D410 VanDerWaalsContact OG-N 3.08Å; S408-D410 PolarHBondContact OG-OD1 2.81Å; D410-R412 PolarHBondContact O-N 3.38Å; D410-R412 VanDerWaalsContact OD1-CB 3.29Å; D410-R412 WeakPolarHBondContact OD1-CB 3.32Å; D410-R412 PolarHBondContact OD1-N 3.36Å
411Y97.8Very high92.3Very high104 Ų10437.2 Ų37.241%0.40818%0.179SC..SBendtrans71.113.1176.9-46-10.4000113A101 H102 D104 V105 S408 D409A101-Y411 CarbonylContact C-O 3.53Å; A101-Y411 WeakPolarHBondContact CA-O 3.37Å; H102-Y411 PolarHBondContact N-O 2.89Å; D104-Y411 VanDerWaalsContact C-CG 3.48Å; D104-Y411 WeakPolarHBondContact O-CB 3.38Å; V105-Y411 HydrophobicContact CB-CD1 4.4Å; V105-Y411 HydrophobicContact CB-CE1 4.46Å; V105-Y411 HydrophobicContact CG1-CD1 3.97Å; V105-Y411 HydrophobicContact CG1-CE1 3.62Å; S408-Y411 PolarHBondContact O-N 3.49Å; D409-Y411 WeakPolarHBondContact O-CD1 3.39Å; D409-Y411 VanDerWaalsContact O-CE1 3.25Å; D409-Y411 WeakPolarHBondContact O-CE1 3.36Å; D409-Y411 PolarHBondContact O-N 2.69Å
412R97.6Very high90.5Very high114 Ų11441.8 Ų41.843%0.4321%0.209SC..EExtended strand (participates in β ladder)trans-112.8143.2179.7-58.8175179.1-166.2-0.2111.1I99 T100 H388 S408 D410I99-R412 HydrophobicContact CG2-CB 4.05Å; I99-R412 HydrophobicContact CG2-CG 4.25Å; T100-R412 WeakPolarHBondContact O-CA 3.25Å; H388-R412 PolarHBondContact CE1-O 3.46Å; S408-R412 PolarHBondContact N-O 3.29Å; S408-R412 VanDerWaalsContact N-O 3.11Å; D410-R412 PolarHBondContact O-N 3.38Å; D410-R412 VanDerWaalsContact OD1-CB 3.29Å; D410-R412 WeakPolarHBondContact OD1-CB 3.32Å; D410-R412 PolarHBondContact OD1-N 3.36Å
413A97.5Very high87.8Confident1 Ų151.3 Ų51.31%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-107.8131.6159.600000109I99 T100 T120 I405 T406 C407I99-A413 WeakPolarHBondContact CA-O 3.3Å; T100-A413 HydrophobicContact CG2-CB 3.77Å; T100-A413 PolarHBondContact N-O 3.48Å; T100-A413 PolarHBondContact O-N 3.26Å; T120-A413 HydrophobicContact CG2-CB 3.66Å; I405-A413 HydrophobicContact CD1-CB 4.04Å; I405-A413 HydrophobicContact CG1-CB 4.42Å; T406-A413 CarbonylContact O-C 3.57Å; T406-A413 WeakPolarHBondContact O-CA 3.4Å; C407-A413 WeakPolarHBondContact SG-CB 3.32Å
414R97.4Very high87.5Confident28 Ų2853.9 Ų53.911%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-116.8126.9-179.9-62.3-176.3-177-152.2-1.3109.9T96 I99 L386 G387 I405 T406T96-R414 HydrophobicContact CG2-CB 4.07Å; T96-R414 HydrophobicContact CG2-CG 4.3Å; I99-R414 HydrophobicContact CD1-CG 4.35Å; I99-R414 HydrophobicContact CG1-CG 4.12Å; I99-R414 HydrophobicContact CG2-CG 4.38Å; L386-R414 PolarHBondContact O-NH1 3.11Å; G387-R414 VanDerWaalsContact O-CZ 3.26Å; G387-R414 PolarHBondContact O-NH1 3.38Å; G387-R414 PolarHBondContact O-NH2 3.41Å; I405-R414 WeakPolarHBondContact CA-O 3.28Å; I405-R414 WeakPolarHBondContact CG1-O 3.17Å; T406-R414 PolarHBondContact N-O 3.08Å; T406-R414 PolarHBondContact O-N 3.14Å
415Y96.9Very high86.9Confident7 Ų756.7 Ų56.73%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-94.4127.1171.7-174.9-96.4000109.5I97 F98 F111 V118 I132 V135 Q401 A403I97-Y415 HydrophobicContact CD1-CD1 3.68Å; I97-Y415 HydrophobicContact CD1-CE1 3.67Å; I97-Y415 HydrophobicContact CG1-CD1 3.51Å; I97-Y415 HydrophobicContact CG1-CE1 4.03Å; I97-Y415 PolarHBondContact N-O 3.39Å; F98-Y415 PolarHBondContact N-O 3.26Å; F98-Y415 PolarHBondContact O-N 3.31Å; F111-Y415 AromaticContact CE1-CE2 3.78Å; F111-Y415 HydrophobicContact CE1-CE2 3.78Å; F111-Y415 HydrophobicContact CZ-CD2 4.29Å; F111-Y415 AromaticContact CZ-CE2 3.74Å; F111-Y415 HydrophobicContact CZ-CE2 3.74Å; V118-Y415 HydrophobicContact CG2-CE2 4.42Å; I132-Y415 HydrophobicContact CD1-CE2 3.84Å; I132-Y415 HydrophobicContact CG1-CE2 4.13Å; I132-Y415 HydrophobicContact CG2-CE1 4.36Å; I132-Y415 WeakPolarHBondContact CG2-OH 3.36Å; V135-Y415 HydrophobicContact CG1-CD1 4.2Å; Q401-Y415 PolarHBondContact NE2-OH 3.4Å; Q401-Y415 VanDerWaalsContact NE2-OH 3.14Å; A403-Y415 HydrophobicContact CB-CE1 4.26Å; A403-Y415 HydrophobicContact CB-CE2 4.1Å; A403-Y415 WeakPolarHBondContact CB-OH 3.32Å
416W96.4Very high86.3Confident11 Ų1159.6 Ų59.64%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-113.9136.3-175.9-60.780.6000109.5Y94 E95 T96 L384 P385 L386 A403 F404 T406Y94-W416 HydrophobicContact CD1-CB 4.4Å; E95-W416 CarbonylContact O-C 3.48Å; E95-W416 VanDerWaalsContact O-CA 3.26Å; E95-W416 WeakPolarHBondContact O-CA 3.29Å; T96-W416 WeakPolarHBondContact OG1-CH2 3.47Å; T96-W416 WeakPolarHBondContact OG1-CZ2 3.27Å; T96-W416 VanDerWaalsContact OG1-CZ3 3.22Å; T96-W416 WeakPolarHBondContact OG1-CZ3 3.41Å; L384-W416 HydrophobicContact CD1-CZ3 4.23Å; L384-W416 HydrophobicContact CD2-CD2 4.45Å; L384-W416 HydrophobicContact CD2-CE3 3.82Å; L384-W416 HydrophobicContact CD2-CZ3 3.89Å; L384-W416 HydrophobicContact CG-CZ3 4.17Å; P385-W416 WeakPolarHBondContact O-CH2 3.34Å; L386-W416 VanDerWaalsContact CA-CZ2 3.5Å; L386-W416 HydrophobicContact CB-CH2 4.46Å; L386-W416 HydrophobicContact CB-CZ2 3.99Å; L386-W416 HydrophobicContact CD2-CD2 4.47Å; L386-W416 HydrophobicContact CD2-CH2 4.14Å; L386-W416 HydrophobicContact CD2-CZ2 3.59Å; L386-W416 HydrophobicContact CG-CZ2 4.44Å; L386-W416 WeakPolarHBondContact O-CH2 3.34Å; L386-W416 WeakPolarHBondContact O-CZ2 3.44Å; A403-W416 CarbonylContact C-O 3.56Å; A403-W416 WeakPolarHBondContact CA-O 3.32Å; A403-W416 WeakPolarHBondContact CB-O 3.41Å; F404-W416 HydrophobicContact CD1-CB 3.99Å; F404-W416 HydrophobicContact CD2-CB 3.81Å; F404-W416 AromaticContact CD2-CD1 3.52Å; F404-W416 AromaticContact CD2-CG 3.79Å; F404-W416 HydrophobicContact CD2-CG 3.79Å; F404-W416 HydrophobicContact CE1-CB 3.65Å; F404-W416 HydrophobicContact CE1-CG 4.15Å; F404-W416 HydrophobicContact CE2-CB 3.49Å; F404-W416 VanDerWaalsContact CE2-CB 3.49Å; F404-W416 AromaticContact CE2-CD1 3.09Å; F404-W416 AromaticContact CE2-CD2 3.78Å; F404-W416 HydrophobicContact CE2-CD2 3.78Å; F404-W416 AromaticContact CE2-CG 3.16Å; F404-W416 HydrophobicContact CE2-CG 3.16Å; F404-W416 AromaticContact CE2-NE1 3.63Å; F404-W416 HydrophobicContact CG-CB 4.04Å; F404-W416 HydrophobicContact CG-CG 4.5Å; F404-W416 HydrophobicContact CZ-CB 3.37Å; F404-W416 AromaticContact CZ-CD1 3.8Å; F404-W416 AromaticContact CZ-CD2 3.73Å; F404-W416 HydrophobicContact CZ-CD2 3.73Å; F404-W416 HydrophobicContact CZ-CE3 4.24Å; F404-W416 AromaticContact CZ-CG 3.34Å; F404-W416 HydrophobicContact CZ-CG 3.34Å; F404-W416 PolarHBondContact N-O 2.92Å; F404-W416 PolarHBondContact O-N 3.38Å; T406-W416 PolarHBondContact OG1-NE1 3.19Å
417Y94Very high85.7Confident46 Ų4663.1 Ų63.118%0.1832%0.318CS..EExtended strand (participates in β ladder)trans-144.6145.7-178.5-176.2-122.3000110.4E95 I97 L136 P402 A403 K419E95-Y417 PolarHBondContact N-O 3.26Å; E95-Y417 PolarHBondContact O-N 3.33Å; I97-Y417 HydrophobicContact CD1-CD1 4.19Å; I97-Y417 HydrophobicContact CD1-CG 4.19Å; L136-Y417 HydrophobicContact CD2-CD1 3.83Å; L136-Y417 HydrophobicContact CD2-CE1 3.89Å; L136-Y417 HydrophobicContact CD2-CG 4.4Å; P402-Y417 HydrophobicContact CG-CE2 4.42Å; P402-Y417 WeakPolarHBondContact O-CD2 3.43Å; A403-Y417 HydrophobicContact CB-CD2 3.79Å; Y417-K419 HydrophobicContact CD1-CG 3.92Å; Y417-K419 HydrophobicContact CE1-CB 4.44Å; Y417-K419 HydrophobicContact CE1-CG 3.8Å
418R87.8Confident85Confident49 Ų4967 Ų6719%0.18534%0.338CS..  trans-107.3111.9165.6178.462.6-175.8157.96.1109.5P89 L93 Y94 P402P89-R418 HydrophobicContact CB-CG 3.75Å; P89-R418 HydrophobicContact CG-CB 4.04Å; P89-R418 HydrophobicContact CG-CG 3.61Å; L93-R418 WeakPolarHBondContact O-CD 3.23Å; Y94-R418 HydrophobicContact CD1-CB 4.43Å; Y94-R418 HydrophobicContact CD2-CB 3.68Å; Y94-R418 HydrophobicContact CD2-CG 4.5Å; Y94-R418 HydrophobicContact CE2-CB 3.78Å; Y94-R418 HydrophobicContact CG-CB 4.03Å; P402-R418 PolarHBondContact O-N 2.9Å
419K76.8Confident84.3Confident100 Ų10071.5 Ų71.544%0.43536%0.36SS..  trans-62.4137.7168.1-69.2179.2-179.8174.20109.7E139 Y417 I421E139-K419 WeakPolarHBondContact OE2-CE 3.31Å; E139-K419 IonicContact OE2-NZ 2.63Å; E139-K419 PolarHBondContact OE2-NZ 2.99Å; Y417-K419 HydrophobicContact CD1-CG 3.92Å; Y417-K419 HydrophobicContact CE1-CB 4.44Å; Y417-K419 HydrophobicContact CE1-CG 3.8Å; K419-I421 PolarHBondContact O-N 3.3Å
420A71.2Confident83.4Confident81 Ų8174.4 Ų74.467%0.66938%0.375SS*.  trans-57.9138.6166.500000108.6T422A420-T422 PolarHBondContact O-N 3.01Å
421I65.1Low82.5Confident126 Ų12678.7 Ų78.765%0.64640%0.396SS*.  trans-68.1105.6168.3-58.6171000104.7K419 D423K419-I421 PolarHBondContact O-N 3.3Å; I421-D423 PolarHBondContact O-N 3.01Å
422T55.3Low81.2Confident129 Ų12976.6 Ų76.679%0.79140%0.395SS*.  trans-73.7113.1162.150.40000105.9A420A420-T422 PolarHBondContact O-N 3.01Å
423D38.4Very low79.7Confident227 Ų22773.2 Ų73.2100%1.21439%0.391SS*.  trans-55.10172.9-75.9-27.2000112.6I421I421-D423 PolarHBondContact O-N 3.01Å

Retrieved 423 of 423 residues in 126 ms (Link to these results)

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