A0A077Z5U5_TRITR Loading...

Tubulin specific chaperone C

AlphaFold DB , UniProt , Accession A0A077Z5U5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.8Very low55.1Low243 Ų243128.5 Ų128.5100%1.19766%0.662SS**  088.50-73.6-165.5178.400110.7
2P55.2Low56.7Low93 Ų93122.3 Ų122.360%0.60464%0.638SS**  trans-132.9-4.2158.616.66.4000115.2F4P2-F4 PolarHBondContact O-N 3.33Å
3L49.9Very low58.5Low151 Ų151118.6 Ų118.679%0.79163%0.629SS**Hα-helixtrans-73.6-26.7-167.6-80.6157.1000115.2
4F46.5Very low60.1Low187 Ų187115.9 Ų115.982%0.8261%0.611SS**Hα-helixtrans-82-22.8-176.3-80-80.1000114.8P2P2-F4 PolarHBondContact O-N 3.33Å
5Q45.1Very low61.6Low150 Ų150111.5 Ų111.570%0.70159%0.586SS**Hα-helixtrans-75.4-32178.5-87.8174-41.700112.3S9Q5-S9 PolarHBondContact O-N 3.16Å
6N53.6Low63.1Low117 Ų117111 Ų11163%0.62658%0.58SS**Hα-helixtrans-68-40.9179.2-80.96.2000112.4M8 S9 V10N6-M8 PolarHBondContact O-N 2.99Å; N6-S9 PolarHBondContact O-N 3.25Å; N6-V10 VanDerWaalsContact O-CG2 3.27Å; N6-V10 WeakPolarHBondContact O-CG2 3.19Å; N6-V10 PolarHBondContact O-N 2.75Å
7D59.3Low64.5Low83 Ų83107.6 Ų107.644%0.44457%0.567SS.*Hα-helixtrans-68-35.5-176.7-170.133.5000112.7K11D7-K11 WeakPolarHBondContact O-CG 3.34Å; D7-K11 PolarHBondContact O-N 3.31Å; D7-K11 WeakPolarHBondContact OD1-CE 3.27Å; D7-K11 IonicContact OD1-NZ 2.86Å; D7-K11 PolarHBondContact OD1-NZ 2.56Å; D7-K11 IonicContact OD2-NZ 2.65Å; D7-K11 PolarHBondContact OD2-NZ 3.49Å
8M59.1Low65.9Low135 Ų135101.6 Ų101.667%0.66554%0.536SS*.Hα-helixtrans-70-38.8174.3-71.8-160.6-6200112.6N6 V10 S12N6-M8 PolarHBondContact O-N 2.99Å; M8-V10 VanDerWaalsContact C-N 3.34Å; M8-S12 PolarHBondContact O-N 3.39Å; M8-S12 VanDerWaalsContact O-N 3.12Å; M8-S12 PolarHBondContact O-OG 3.43Å
9S63.2Low67.1Low77 Ų7799.3 Ų99.354%0.53852%0.522SS..Hα-helixtrans-69.6-31.9179.2-170.90000112.8Q5 N6 S12 S13Q5-S9 PolarHBondContact O-N 3.16Å; N6-S9 PolarHBondContact O-N 3.25Å; S9-S12 PolarHBondContact O-OG 3.24Å; S9-S13 WeakPolarHBondContact O-CB 3.25Å; S9-S13 PolarHBondContact O-N 3.45Å
10V64.8Low68.3Low73 Ų73101.5 Ų101.544%0.44253%0.527SS..Hα-helixtrans-70.4-48.4176.2172.10000110N6 M8 S12 S13 E14N6-V10 VanDerWaalsContact O-CG2 3.27Å; N6-V10 WeakPolarHBondContact O-CG2 3.19Å; N6-V10 PolarHBondContact O-N 2.75Å; M8-V10 VanDerWaalsContact C-N 3.34Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 2.71Å; V10-S13 WeakPolarHBondContact O-CB 3.5Å; V10-S13 PolarHBondContact O-N 2.91Å; V10-E14 HydrophobicContact CG1-CG 4.35Å; V10-E14 WeakPolarHBondContact O-CG 3.07Å; V10-E14 PolarHBondContact O-N 3.48Å
11K65.9Low69.5Low105 Ų105101.7 Ų101.746%0.45752%0.521SS..Hα-helixtrans-59.7-40178.3-72.9172.1-178.91560112.9D7 E14 E15D7-K11 WeakPolarHBondContact O-CG 3.34Å; D7-K11 PolarHBondContact O-N 3.31Å; D7-K11 WeakPolarHBondContact OD1-CE 3.27Å; D7-K11 IonicContact OD1-NZ 2.86Å; D7-K11 PolarHBondContact OD1-NZ 2.56Å; D7-K11 IonicContact OD2-NZ 2.65Å; D7-K11 PolarHBondContact OD2-NZ 3.49Å; K11-E14 PolarHBondContact O-N 2.84Å; K11-E15 WeakPolarHBondContact O-CB 3.23Å; K11-E15 PolarHBondContact O-N 3.04Å
12S73.5Confident71.8Confident53 Ų5390.1 Ų90.137%0.37146%0.464SS..Hα-helixtrans-66.8-37.1174.962.30000112.6M8 S9 V10 E16M8-S12 PolarHBondContact O-N 3.39Å; M8-S12 VanDerWaalsContact O-N 3.12Å; M8-S12 PolarHBondContact O-OG 3.43Å; S9-S12 PolarHBondContact O-OG 3.24Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 2.71Å; S12-E16 WeakPolarHBondContact O-CG 3.29Å; S12-E16 PolarHBondContact O-N 2.79Å
13S81.3Confident73.7Confident75 Ų7587.3 Ų87.352%0.52444%0.441SS..Hα-helixtrans-68.5-38.7177.7-175.90000112.4S9 V10 S17S9-S13 WeakPolarHBondContact O-CB 3.25Å; S9-S13 PolarHBondContact O-N 3.45Å; V10-S13 WeakPolarHBondContact O-CB 3.5Å; V10-S13 PolarHBondContact O-N 2.91Å; S13-S17 VanDerWaalsContact O-CB 3.32Å; S13-S17 WeakPolarHBondContact O-CB 3.3Å; S13-S17 PolarHBondContact O-N 3.39Å
14E80.3Confident75.8Confident81 Ų8185.1 Ų85.138%0.37943%0.427SS..Hα-helixtrans-70.2-40.9177.1-67.7174.6162.300111.1V10 K11 S17 F18 V68V10-E14 HydrophobicContact CG1-CG 4.35Å; V10-E14 WeakPolarHBondContact O-CG 3.07Å; V10-E14 PolarHBondContact O-N 3.48Å; K11-E14 PolarHBondContact O-N 2.84Å; E14-S17 WeakPolarHBondContact O-CB 3.24Å; E14-S17 PolarHBondContact O-N 3.01Å; E14-F18 WeakPolarHBondContact O-CB 3.39Å; E14-F18 PolarHBondContact O-N 3.24Å; E14-V68 HydrophobicContact CB-CG1 3.54Å; E14-V68 HydrophobicContact CG-CG1 4.4Å; E14-V68 WeakPolarHBondContact OE2-CG1 3.43Å
15E82.5Confident78.1Confident49 Ų4977.8 Ų77.823%0.22940%0.4CS..Hα-helixtrans-59.8-48.3173.4-177.4178179.300111.7K11 S17 F18 Q19 P70K11-E15 WeakPolarHBondContact O-CB 3.23Å; K11-E15 PolarHBondContact O-N 3.04Å; E15-S17 VanDerWaalsContact C-N 3.31Å; E15-S17 PolarHBondContact O-N 3.2Å; E15-F18 PolarHBondContact O-N 3.28Å; E15-Q19 HydrophobicContact CG-CG 4.45Å; E15-Q19 WeakPolarHBondContact O-CB 3.39Å; E15-Q19 WeakPolarHBondContact O-CG 3.4Å; E15-Q19 PolarHBondContact O-N 3.01Å; E15-Q19 PolarHBondContact OE1-NE2 3.04Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.08Å; E15-P70 VanDerWaalsContact CD-CD 3.45Å; E15-P70 WeakPolarHBondContact OE2-CG 3.49Å
16E85.6Confident80.4Confident104 Ų10474.3 Ų74.349%0.48638%0.381SS..Hα-helixtrans-61.5-39.4176.2-77.7-174.8-162.400112.4S12 Q19 K20S12-E16 WeakPolarHBondContact O-CG 3.29Å; S12-E16 PolarHBondContact O-N 2.79Å; E16-Q19 PolarHBondContact O-N 3.47Å; E16-K20 WeakPolarHBondContact O-CB 3.24Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.11Å; E16-K20 PolarHBondContact O-N 3.38Å; E16-K20 IonicContact OE2-NZ 2.78Å
17S87.4Confident82.3Confident53 Ų5373.8 Ų73.837%0.37138%0.375SS..Hα-helixtrans-63.8-44.1176.6179.40000111.5S13 E14 E15 R21S13-S17 VanDerWaalsContact O-CB 3.32Å; S13-S17 WeakPolarHBondContact O-CB 3.3Å; S13-S17 PolarHBondContact O-N 3.39Å; E14-S17 WeakPolarHBondContact O-CB 3.24Å; E14-S17 PolarHBondContact O-N 3.01Å; E15-S17 VanDerWaalsContact C-N 3.31Å; E15-S17 PolarHBondContact O-N 3.2Å; S17-R21 WeakPolarHBondContact O-CB 3.19Å; S17-R21 WeakPolarHBondContact O-CG 3.43Å; S17-R21 PolarHBondContact O-N 3.24Å; S17-R21 PolarHBondContact O-NE 3.42Å
18F89.6Confident84Confident0 Ų074.2 Ų74.20%037%0.374CS..Hα-helixtrans-61.4-52.7173.9166.8-101.8000111.3E14 E15 K20 R21 F22 L61 L62 E65 I69 E73 A77E14-F18 WeakPolarHBondContact O-CB 3.39Å; E14-F18 PolarHBondContact O-N 3.24Å; E15-F18 PolarHBondContact O-N 3.28Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 3.2Å; F18-R21 PolarHBondContact O-N 2.97Å; F18-R21 VanDerWaalsContact O-N 3.17Å; F18-F22 HydrophobicContact CD2-CB 4.16Å; F18-F22 HydrophobicContact CE1-CB 4.34Å; F18-F22 HydrophobicContact CE1-CG 4.49Å; F18-F22 HydrophobicContact CE2-CB 3.75Å; F18-F22 AromaticContact CE2-CD2 3.91Å; F18-F22 HydrophobicContact CE2-CD2 3.91Å; F18-F22 AromaticContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CZ-CB 3.84Å; F18-F22 HydrophobicContact CZ-CD1 4.37Å; F18-F22 AromaticContact CZ-CD2 3.91Å; F18-F22 HydrophobicContact CZ-CD2 3.91Å; F18-F22 AromaticContact CZ-CG 3.78Å; F18-F22 HydrophobicContact CZ-CG 3.78Å; F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 PolarHBondContact O-N 3.41Å; F18-L61 HydrophobicContact CD2-CG 4.37Å; F18-L61 HydrophobicContact CE2-CG 4.29Å; F18-L62 HydrophobicContact CE2-CD1 4.28Å; F18-L62 HydrophobicContact CZ-CD1 3.72Å; F18-E65 HydrophobicContact CB-CG 4.47Å; F18-E65 HydrophobicContact CD2-CB 3.69Å; F18-E65 HydrophobicContact CD2-CG 3.68Å; F18-E65 HydrophobicContact CE2-CB 4.07Å; F18-E65 HydrophobicContact CE2-CG 4.34Å; F18-E65 HydrophobicContact CG-CB 4.24Å; F18-E65 HydrophobicContact CG-CG 4.38Å; F18-I69 HydrophobicContact CB-CG2 4.12Å; F18-I69 HydrophobicContact CD1-CD1 4.22Å; F18-I69 HydrophobicContact CD1-CG2 3.56Å; F18-I69 HydrophobicContact CE1-CD1 3.66Å; F18-I69 HydrophobicContact CE1-CG2 4.11Å; F18-I69 HydrophobicContact CG-CG2 3.82Å; F18-I69 HydrophobicContact CZ-CD1 3.87Å; F18-E73 HydrophobicContact CE1-CG 4.49Å; F18-A77 HydrophobicContact CE1-CB 4.41Å; F18-A77 HydrophobicContact CZ-CB 4.13Å
19Q88.9Confident85.7Confident58 Ų5867.9 Ų67.927%0.27134%0.343SS..Hα-helixtrans-56.2-45.6-178.2-73.1-178.417.300110.8E15 E16 Y23 E73E15-Q19 HydrophobicContact CG-CG 4.45Å; E15-Q19 WeakPolarHBondContact O-CB 3.39Å; E15-Q19 WeakPolarHBondContact O-CG 3.4Å; E15-Q19 PolarHBondContact O-N 3.01Å; E15-Q19 PolarHBondContact OE1-NE2 3.04Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.08Å; E16-Q19 PolarHBondContact O-N 3.47Å; Q19-Y23 HydrophobicContact CB-CD2 4.19Å; Q19-Y23 HydrophobicContact CB-CE2 4.42Å; Q19-Y23 HydrophobicContact CG-CE2 4.34Å; Q19-Y23 WeakPolarHBondContact O-CB 3.39Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.37Å; Q19-Y23 PolarHBondContact O-N 3.46Å; Q19-E73 HydrophobicContact CG-CG 4.06Å
20K91.1Very high87.1Confident142 Ų14265.7 Ų65.762%0.61733%0.326SS*.Hα-helixtrans-60.2-52176.5-75.1170.9-176.6162.10111.8E16 F18 H24E16-K20 WeakPolarHBondContact O-CB 3.24Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.11Å; E16-K20 PolarHBondContact O-N 3.38Å; E16-K20 IonicContact OE2-NZ 2.78Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 3.2Å; K20-H24 WeakPolarHBondContact O-CB 3.42Å; K20-H24 PolarHBondContact O-N 2.86Å; K20-H24 VanDerWaalsContact O-N 3.1Å
21R92.3Very high88.5Confident106 Ų10666 Ų6640%0.433%0.325SS..Hα-helixtrans-62.8-50.1-178.3-74.3-174.8-69.4148.40.7112.1S17 F18 A25 L61 E65S17-R21 WeakPolarHBondContact O-CB 3.19Å; S17-R21 WeakPolarHBondContact O-CG 3.43Å; S17-R21 PolarHBondContact O-N 3.24Å; S17-R21 PolarHBondContact O-NE 3.42Å; F18-R21 PolarHBondContact O-N 2.97Å; F18-R21 VanDerWaalsContact O-N 3.17Å; R21-A25 VanDerWaalsContact O-CB 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.33Å; R21-A25 PolarHBondContact O-N 3.38Å; R21-L61 HydrophobicContact CB-CD2 4.15Å; R21-E65 IonicContact CZ-OE1 3.72Å; R21-E65 IonicContact NH1-OE1 3.73Å; R21-E65 IonicContact NH2-OE1 2.88Å; R21-E65 PolarHBondContact NH2-OE1 2.83Å
22F93.5Very high89.7Confident0 Ų063.8 Ų63.80%032%0.319CS..Hα-helixtrans-66.7-51.5-174.6-178.8-89.4000111.8F18 A25 R26 L58 L61 L62 A77 A80 L81F18-F22 HydrophobicContact CD2-CB 4.16Å; F18-F22 HydrophobicContact CE1-CB 4.34Å; F18-F22 HydrophobicContact CE1-CG 4.49Å; F18-F22 HydrophobicContact CE2-CB 3.75Å; F18-F22 AromaticContact CE2-CD2 3.91Å; F18-F22 HydrophobicContact CE2-CD2 3.91Å; F18-F22 AromaticContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CE2-CG 3.98Å; F18-F22 HydrophobicContact CZ-CB 3.84Å; F18-F22 HydrophobicContact CZ-CD1 4.37Å; F18-F22 AromaticContact CZ-CD2 3.91Å; F18-F22 HydrophobicContact CZ-CD2 3.91Å; F18-F22 AromaticContact CZ-CG 3.78Å; F18-F22 HydrophobicContact CZ-CG 3.78Å; F18-F22 VanDerWaalsContact O-CB 3.28Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 PolarHBondContact O-N 3.41Å; F22-A25 PolarHBondContact O-N 3.43Å; F22-R26 VanDerWaalsContact O-CB 3.31Å; F22-R26 WeakPolarHBondContact O-CB 3.22Å; F22-R26 PolarHBondContact O-N 3.21Å; F22-L58 HydrophobicContact CD2-CD2 4.05Å; F22-L58 HydrophobicContact CE2-CB 4.35Å; F22-L58 HydrophobicContact CE2-CD2 4.19Å; F22-L61 HydrophobicContact CB-CD2 3.79Å; F22-L61 HydrophobicContact CD2-CD2 4.07Å; F22-L61 HydrophobicContact CG-CD2 4.43Å; F22-L62 HydrophobicContact CE2-CB 4.31Å; F22-A77 HydrophobicContact CD1-CB 4.25Å; F22-A77 HydrophobicContact CE1-CB 3.71Å; F22-A77 HydrophobicContact CE2-CB 4.42Å; F22-A77 HydrophobicContact CZ-CB 3.81Å; F22-A80 HydrophobicContact CE1-CB 4.26Å; F22-L81 HydrophobicContact CE2-CD1 4.47Å; F22-L81 HydrophobicContact CE2-CD2 4.45Å; F22-L81 HydrophobicContact CE2-CG 4.35Å; F22-L81 HydrophobicContact CZ-CD1 4.45Å; F22-L81 HydrophobicContact CZ-CD2 4.32Å; F22-L81 HydrophobicContact CZ-CG 3.98Å
23Y93.6Very high90.5Very high35 Ų3561.3 Ų61.314%0.13730%0.301CS..Hα-helixtrans-72.4-31.4-176.8-70.2-64000112.8Q19 E27 E73 K76 A80Q19-Y23 HydrophobicContact CB-CD2 4.19Å; Q19-Y23 HydrophobicContact CB-CE2 4.42Å; Q19-Y23 HydrophobicContact CG-CE2 4.34Å; Q19-Y23 WeakPolarHBondContact O-CB 3.39Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.37Å; Q19-Y23 PolarHBondContact O-N 3.46Å; Y23-E27 VanDerWaalsContact O-CB 3.27Å; Y23-E27 WeakPolarHBondContact O-CB 3.45Å; Y23-E27 PolarHBondContact O-N 3.44Å; Y23-E73 VanDerWaalsContact CE2-OE1 3.28Å; Y23-E73 WeakPolarHBondContact CE2-OE1 3.5Å; Y23-E73 PolarHBondContact OH-OE1 3.27Å; Y23-K76 WeakPolarHBondContact OH-CD 3.25Å; Y23-K76 VanDerWaalsContact OH-CE 3.31Å; Y23-K76 WeakPolarHBondContact OH-CE 3.18Å; Y23-K76 WeakPolarHBondContact OH-CG 3.28Å; Y23-A80 HydrophobicContact CE1-CB 4.26Å
24H94.3Very high90.9Very high105 Ų10562.2 Ų62.249%0.48630%0.297SS..Hα-helixtrans-65.2-49.6172.6-176.366.9000111.7K20 R26 E27 Q28K20-H24 WeakPolarHBondContact O-CB 3.42Å; K20-H24 PolarHBondContact O-N 2.86Å; K20-H24 VanDerWaalsContact O-N 3.1Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 2.94Å; H24-E27 PolarHBondContact O-N 3.17Å; H24-Q28 PolarHBondContact NE2-NE2 2.86Å; H24-Q28 WeakPolarHBondContact O-CG 3.46Å; H24-Q28 PolarHBondContact O-N 2.92Å
25A94.4Very high91.3Very high32 Ų3263.8 Ų63.826%0.26430%0.304SS..Hα-helixtrans-62.5-38.117800000112.1R21 F22 L29 L58R21-A25 VanDerWaalsContact O-CB 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.33Å; R21-A25 PolarHBondContact O-N 3.38Å; F22-A25 PolarHBondContact O-N 3.43Å; A25-L29 WeakPolarHBondContact O-CB 3.44Å; A25-L29 PolarHBondContact O-N 2.85Å; A25-L58 HydrophobicContact CB-CD2 3.72Å
26R94.3Very high91.6Very high77 Ų7761.6 Ų61.629%0.29130%0.295SS..Hα-helixtrans-62.3-48.2173.2-176.2-153.768.1170.4-0.6111.7F22 H24 L29 V30 L58 V84F22-R26 VanDerWaalsContact O-CB 3.31Å; F22-R26 WeakPolarHBondContact O-CB 3.22Å; F22-R26 PolarHBondContact O-N 3.21Å; H24-R26 VanDerWaalsContact C-N 3.3Å; H24-R26 PolarHBondContact O-N 2.94Å; R26-L29 PolarHBondContact O-N 2.87Å; R26-L29 VanDerWaalsContact O-N 3.16Å; R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 3.03Å; R26-L58 HydrophobicContact CB-CD1 4.36Å; R26-L58 HydrophobicContact CB-CD2 4.49Å; R26-V84 HydrophobicContact CG-CG2 3.88Å
27E94.2Very high91.6Very high107 Ų10759.3 Ų59.350%0.529%0.285SS..Hα-helixtrans-62.1-43.1-179.7-176.1175.3-164.100111.5Y23 H24 L29 V30 N31Y23-E27 VanDerWaalsContact O-CB 3.27Å; Y23-E27 WeakPolarHBondContact O-CB 3.45Å; Y23-E27 PolarHBondContact O-N 3.44Å; H24-E27 PolarHBondContact O-N 3.17Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 2.82Å; E27-V30 PolarHBondContact O-N 2.91Å; E27-N31 WeakPolarHBondContact O-CB 3.49Å; E27-N31 PolarHBondContact O-N 3.22Å; E27-N31 PolarHBondContact O-ND2 2.9Å
28Q94.7Very high91.6Very high92 Ų9262.8 Ų62.843%0.4330%0.3SS..Hα-helixtrans-56.7-45171.8-72.1-179.7-37.900111.6H24 N31 D32 R54H24-Q28 PolarHBondContact NE2-NE2 2.86Å; H24-Q28 WeakPolarHBondContact O-CG 3.46Å; H24-Q28 PolarHBondContact O-N 2.92Å; Q28-N31 PolarHBondContact O-N 3.38Å; Q28-D32 WeakPolarHBondContact O-CB 3.35Å; Q28-D32 PolarHBondContact O-N 3.19Å; Q28-R54 PolarHBondContact O-NH2 2.83Å
29L93.6Very high91.5Very high1 Ų167.8 Ų67.81%0.00533%0.327CS..Hα-helixtrans-64.6-44.2180179.959.1000112.3A25 R26 E27 D32 I33 V51 R54 L58 V84A25-L29 WeakPolarHBondContact O-CB 3.44Å; A25-L29 PolarHBondContact O-N 2.85Å; R26-L29 PolarHBondContact O-N 2.87Å; R26-L29 VanDerWaalsContact O-N 3.16Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 2.82Å; L29-D32 PolarHBondContact O-N 2.77Å; L29-I33 HydrophobicContact CD1-CD1 3.93Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 WeakPolarHBondContact O-CD1 3.35Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 2.86Å; L29-V51 HydrophobicContact CD1-CB 4.4Å; L29-V51 HydrophobicContact CD1-CG1 4.25Å; L29-V51 HydrophobicContact CD1-CG2 4.15Å; L29-R54 HydrophobicContact CD1-CB 4.02Å; L29-R54 HydrophobicContact CD2-CB 4.2Å; L29-R54 VanDerWaalsContact N-NH2 3.11Å; L29-L58 HydrophobicContact CD2-CD1 3.84Å; L29-V84 HydrophobicContact CD2-CG1 3.91Å; L29-V84 HydrophobicContact CG-CG1 4.37Å
30V93Very high91Very high31 Ų3174.2 Ų74.219%0.18835%0.354CS..Hα-helixtrans-62.5-46.2177171.70000110.8R26 E27 D32 I33 E34 V84 L87R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 3.03Å; E27-V30 PolarHBondContact O-N 2.91Å; V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 2.84Å; V30-I33 PolarHBondContact O-N 3.4Å; V30-E34 HydrophobicContact CG1-CG 4.31Å; V30-E34 WeakPolarHBondContact O-CG 3.27Å; V30-E34 PolarHBondContact O-N 3.28Å; V30-V84 HydrophobicContact CG2-CG2 3.77Å; V30-L87 HydrophobicContact CG1-CD2 4.13Å
31N93.6Very high90.5Very high80 Ų8070.2 Ų70.243%0.42834%0.343SS..Hα-helixtrans-60.3-43.5179.1-69.9-16.9000111.8E27 Q28 E34 Q35E27-N31 WeakPolarHBondContact O-CB 3.49Å; E27-N31 PolarHBondContact O-N 3.22Å; E27-N31 PolarHBondContact O-ND2 2.9Å; Q28-N31 PolarHBondContact O-N 3.38Å; N31-E34 PolarHBondContact O-N 3.39Å; N31-Q35 VanDerWaalsContact O-CB 3.3Å; N31-Q35 WeakPolarHBondContact O-CB 3.31Å; N31-Q35 PolarHBondContact O-N 3.18Å
32D92.3Very high89.6Confident59 Ų5965.5 Ų65.532%0.31633%0.327SS..Hα-helixtrans-66.8-37.4178.5-65-23.6000111.8Q28 L29 V30 A36 R54Q28-D32 WeakPolarHBondContact O-CB 3.35Å; Q28-D32 PolarHBondContact O-N 3.19Å; L29-D32 PolarHBondContact O-N 2.77Å; V30-D32 VanDerWaalsContact C-N 3.34Å; V30-D32 PolarHBondContact O-N 2.84Å; D32-A36 VanDerWaalsContact O-CB 3.27Å; D32-A36 WeakPolarHBondContact O-CB 3.38Å; D32-A36 PolarHBondContact O-N 2.97Å; D32-R54 IonicContact OD2-CZ 3.44Å; D32-R54 IonicContact OD2-NH1 2.96Å; D32-R54 PolarHBondContact OD2-NH1 3.11Å; D32-R54 IonicContact OD2-NH2 2.79Å; D32-R54 PolarHBondContact OD2-NH2 2.91Å
33I89.9Confident88.7Confident0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-64.2-48.5173.7-68.6164000110.9L29 V30 Q35 A36 I37 F47 V51 V84 L87 I88 V92L29-I33 HydrophobicContact CD1-CD1 3.93Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 WeakPolarHBondContact O-CD1 3.35Å; L29-I33 WeakPolarHBondContact O-CG1 3.34Å; L29-I33 PolarHBondContact O-N 2.86Å; V30-I33 PolarHBondContact O-N 3.4Å; I33-Q35 VanDerWaalsContact C-N 3.33Å; I33-Q35 PolarHBondContact O-N 2.94Å; I33-A36 PolarHBondContact O-N 2.86Å; I33-I37 HydrophobicContact CG2-CD1 3.69Å; I33-I37 HydrophobicContact CG2-CG1 4.45Å; I33-I37 WeakPolarHBondContact O-CD1 3.5Å; I33-I37 WeakPolarHBondContact O-CG1 2.8Å; I33-I37 PolarHBondContact O-N 3.46Å; I33-F47 HydrophobicContact CG1-CZ 4.2Å; I33-V51 HydrophobicContact CD1-CG1 4.03Å; I33-V51 HydrophobicContact CD1-CG2 4.49Å; I33-V51 HydrophobicContact CG1-CG1 4.33Å; I33-V51 HydrophobicContact CG1-CG2 3.96Å; I33-V84 HydrophobicContact CD1-CG1 4.3Å; I33-L87 HydrophobicContact CB-CD2 4.34Å; I33-L87 HydrophobicContact CG2-CD2 3.85Å; I33-L87 HydrophobicContact CG2-CG 4.03Å; I33-I88 HydrophobicContact CD1-CD1 4.18Å; I33-I88 HydrophobicContact CD1-CG1 3.78Å; I33-V92 HydrophobicContact CG2-CG2 4.39Å
34E89.5Confident88.2Confident95 Ų9574 Ų7444%0.44437%0.371SS..Hα-helixtrans-62.2-40.9178.3-72.5-176.8172.200111.9V30 N31 I37 N38V30-E34 HydrophobicContact CG1-CG 4.31Å; V30-E34 WeakPolarHBondContact O-CG 3.27Å; V30-E34 PolarHBondContact O-N 3.28Å; N31-E34 PolarHBondContact O-N 3.39Å; E34-I37 PolarHBondContact O-N 3.48Å; E34-N38 VanDerWaalsContact O-CG 3.27Å; E34-N38 PolarHBondContact O-N 3.13Å; E34-N38 PolarHBondContact O-ND2 3.44Å
35Q89.8Confident87.6Confident113 Ų11377.2 Ų77.253%0.52839%0.386SS..Hα-helixtrans-63.4-47.1174.4-174.4172.6-4.700111.4N31 I33 I37 N38 D39N31-Q35 VanDerWaalsContact O-CB 3.3Å; N31-Q35 WeakPolarHBondContact O-CB 3.31Å; N31-Q35 PolarHBondContact O-N 3.18Å; I33-Q35 VanDerWaalsContact C-N 3.33Å; I33-Q35 PolarHBondContact O-N 2.94Å; Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 2.92Å; Q35-N38 PolarHBondContact O-N 3.4Å; Q35-N38 VanDerWaalsContact O-N 3.11Å; Q35-D39 WeakPolarHBondContact CG-OD2 3.31Å; Q35-D39 WeakPolarHBondContact O-CB 3.21Å; Q35-D39 PolarHBondContact O-N 3.36Å
36A88.8Confident87.3Confident4 Ų479 Ų793%0.03340%0.401CS..Hα-helixtrans-63.1-32177.600000113D32 I33 K40 C41 A42 F47D32-A36 VanDerWaalsContact O-CB 3.27Å; D32-A36 WeakPolarHBondContact O-CB 3.38Å; D32-A36 PolarHBondContact O-N 2.97Å; I33-A36 PolarHBondContact O-N 2.86Å; A36-K40 PolarHBondContact O-N 2.95Å; A36-K40 VanDerWaalsContact O-N 3.14Å; A36-C41 PolarHBondContact O-N 3.08Å; A36-A42 HydrophobicContact CB-CB 4.16Å; A36-A42 PolarHBondContact O-N 2.68Å; A36-F47 HydrophobicContact CB-CD1 4.03Å; A36-F47 HydrophobicContact CB-CD2 4.28Å; A36-F47 HydrophobicContact CB-CE1 3.47Å; A36-F47 VanDerWaalsContact CB-CE1 3.47Å; A36-F47 HydrophobicContact CB-CE2 3.76Å; A36-F47 HydrophobicContact CB-CG 4.41Å; A36-F47 HydrophobicContact CB-CZ 3.33Å
37I84.9Confident87Confident55 Ų5577 Ų7728%0.28239%0.394SS..Hα-helixtrans-66.3-46.6172.7-69.4157.5000110.2I33 E34 Q35 K40 A42I33-I37 HydrophobicContact CG2-CD1 3.69Å; I33-I37 HydrophobicContact CG2-CG1 4.45Å; I33-I37 WeakPolarHBondContact O-CD1 3.5Å; I33-I37 WeakPolarHBondContact O-CG1 2.8Å; I33-I37 PolarHBondContact O-N 3.46Å; E34-I37 PolarHBondContact O-N 3.48Å; Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 2.92Å; I37-K40 PolarHBondContact O-N 3.22Å; I37-A42 HydrophobicContact CG1-CB 4.03Å
38N86.8Confident86.6Confident127 Ų12773.5 Ų73.568%0.67938%0.379SS*.Hα-helixtrans-64.3-40.7179.1-71.3-29.5000112E34 Q35 K40E34-N38 VanDerWaalsContact O-CG 3.27Å; E34-N38 PolarHBondContact O-N 3.13Å; E34-N38 PolarHBondContact O-ND2 3.44Å; Q35-N38 PolarHBondContact O-N 3.4Å; Q35-N38 VanDerWaalsContact O-N 3.11Å; N38-K40 PolarHBondContact O-N 3.46Å
39D87.3Confident86.2Confident105 Ų10571.8 Ų71.856%0.56138%0.38SS*.THydrogen-bonded Turntrans-78.5-1.4178.2-66.8-19.2000112.8Q35 C41Q35-D39 WeakPolarHBondContact CG-OD2 3.31Å; Q35-D39 WeakPolarHBondContact O-CB 3.21Å; Q35-D39 PolarHBondContact O-N 3.36Å; D39-C41 PolarHBondContact O-N 2.76Å
40K79.6Confident86.1Confident193 Ų19374.2 Ų74.284%0.83939%0.393SS*.THydrogen-bonded Turntrans57.321.8-176.8-56.1178.5-178.3173.40114.3A36 I37 N38A36-K40 PolarHBondContact O-N 2.95Å; A36-K40 VanDerWaalsContact O-N 3.14Å; I37-K40 PolarHBondContact O-N 3.22Å; N38-K40 PolarHBondContact O-N 3.46Å
41C79.7Confident86Confident57 Ų5772.9 Ų72.939%0.38539%0.385SS..  trans-99.21.5175.987.80000113.5A36 D39 Q43 D44A36-C41 PolarHBondContact O-N 3.08Å; D39-C41 PolarHBondContact O-N 2.76Å; C41-Q43 PolarHBondContact O-N 3.08Å; C41-D44 VanDerWaalsContact O-CB 3.22Å; C41-D44 WeakPolarHBondContact O-CB 3.17Å; C41-D44 PolarHBondContact O-N 3.03Å
42A74Confident85.8Confident8 Ų873.1 Ų73.17%0.06638%0.383CS..THydrogen-bonded Turntrans-55.7-20.5-176.700000115.2A36 I37 V92A36-A42 HydrophobicContact CB-CB 4.16Å; A36-A42 PolarHBondContact O-N 2.68Å; I37-A42 HydrophobicContact CG1-CB 4.03Å; A42-V92 HydrophobicContact CB-CG1 4.2Å; A42-V92 HydrophobicContact CB-CG2 4.24Å; A42-V92 WeakPolarHBondContact O-CG1 3.27Å
43Q75Confident85.8Confident128 Ų12876.1 Ų76.160%0.59839%0.39SS*.THydrogen-bonded Turntrans-89.7-0.1178.2-62-172.9-25.900113.9C41 E45C41-Q43 PolarHBondContact O-N 3.08Å; Q43-E45 PolarHBondContact O-N 2.87Å
44D83.3Confident86Confident86 Ų8677.9 Ų77.946%0.4640%0.397SS..  trans-62.9130.4175.3179.977.4000110.7C41 A46 F47 L48C41-D44 VanDerWaalsContact O-CB 3.22Å; C41-D44 WeakPolarHBondContact O-CB 3.17Å; C41-D44 PolarHBondContact O-N 3.03Å; D44-A46 VanDerWaalsContact C-N 3.3Å; D44-A46 PolarHBondContact O-N 2.75Å; D44-A46 WeakPolarHBondContact OD2-CA 3.27Å; D44-A46 VanDerWaalsContact OD2-CB 3.3Å; D44-A46 WeakPolarHBondContact OD2-CB 3.11Å; D44-A46 PolarHBondContact OD2-N 2.81Å; D44-F47 HydrophobicContact CB-CB 4.03Å; D44-F47 PolarHBondContact O-N 2.85Å; D44-F47 PolarHBondContact OD2-N 3.05Å; D44-L48 WeakPolarHBondContact O-CG 3.24Å; D44-L48 PolarHBondContact O-N 2.78Å
45E81.8Confident86.1Confident171 Ų17174 Ų7480%0.79938%0.379SS*.Hα-helixtrans-62.4-36.5-175.9-72.9-176.2172.800112.3Q43 L48 A49Q43-E45 PolarHBondContact O-N 2.87Å; E45-L48 PolarHBondContact O-N 2.84Å; E45-A49 WeakPolarHBondContact O-CB 3.45Å; E45-A49 PolarHBondContact O-N 2.83Å
46A86.9Confident86.1Confident70 Ų7074 Ų7458%0.57938%0.379SS*.Hα-helixtrans-70.4-39.4179.200000110.9D44 A49 D50D44-A46 VanDerWaalsContact C-N 3.3Å; D44-A46 PolarHBondContact O-N 2.75Å; D44-A46 WeakPolarHBondContact OD2-CA 3.27Å; D44-A46 VanDerWaalsContact OD2-CB 3.3Å; D44-A46 WeakPolarHBondContact OD2-CB 3.11Å; D44-A46 PolarHBondContact OD2-N 2.81Å; A46-A49 PolarHBondContact O-N 2.89Å; A46-D50 PolarHBondContact O-N 2.82Å
47F88.2Confident86.3Confident34 Ų3477.3 Ų77.315%0.14940%0.396CS..Hα-helixtrans-62-46.6172.3-178.4-104000112I33 A36 D44 A49 D50 V51I33-F47 HydrophobicContact CG1-CZ 4.2Å; A36-F47 HydrophobicContact CB-CD1 4.03Å; A36-F47 HydrophobicContact CB-CD2 4.28Å; A36-F47 HydrophobicContact CB-CE1 3.47Å; A36-F47 VanDerWaalsContact CB-CE1 3.47Å; A36-F47 HydrophobicContact CB-CE2 3.76Å; A36-F47 HydrophobicContact CB-CG 4.41Å; A36-F47 HydrophobicContact CB-CZ 3.33Å; D44-F47 HydrophobicContact CB-CB 4.03Å; D44-F47 PolarHBondContact O-N 2.85Å; D44-F47 PolarHBondContact OD2-N 3.05Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 2.91Å; F47-D50 PolarHBondContact O-N 2.84Å; F47-V51 HydrophobicContact CD1-CG2 4.07Å; F47-V51 HydrophobicContact CD2-CG2 4.42Å; F47-V51 HydrophobicContact CE1-CG2 3.55Å; F47-V51 HydrophobicContact CE2-CG2 3.95Å; F47-V51 HydrophobicContact CG-CG2 4.47Å; F47-V51 HydrophobicContact CZ-CG2 3.46Å; F47-V51 VanDerWaalsContact CZ-CG2 3.46Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 2.94Å
48L85.8Confident86.7Confident35 Ų3574.9 Ų74.918%0.18338%0.384CS..Hα-helixtrans-58.8-42.2176.9-80.2174.4000112.4D44 E45 V51 Q52 V92D44-L48 WeakPolarHBondContact O-CG 3.24Å; D44-L48 PolarHBondContact O-N 2.78Å; E45-L48 PolarHBondContact O-N 2.84Å; L48-V51 PolarHBondContact O-N 2.8Å; L48-Q52 WeakPolarHBondContact O-CB 3.32Å; L48-Q52 VanDerWaalsContact O-CG 3.29Å; L48-Q52 WeakPolarHBondContact O-CG 3.45Å; L48-Q52 PolarHBondContact O-N 2.9Å; L48-V92 HydrophobicContact CD2-CG1 3.47Å; L48-V92 VanDerWaalsContact CD2-CG1 3.47Å; L48-V92 HydrophobicContact CG-CG1 4.39Å
49A86.6Confident86.9Confident56 Ų5674 Ų7446%0.46337%0.371SS..Hα-helixtrans-64.2-42176.300000112.1E45 A46 F47 Q52 R53E45-A49 WeakPolarHBondContact O-CB 3.45Å; E45-A49 PolarHBondContact O-N 2.83Å; A46-A49 PolarHBondContact O-N 2.89Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 2.91Å; A49-Q52 PolarHBondContact O-N 3.1Å; A49-R53 WeakPolarHBondContact O-CB 3.33Å; A49-R53 PolarHBondContact O-N 2.81Å
50D91.4Very high87.1Confident52 Ų5273.5 Ų73.528%0.27837%0.368SS..Hα-helixtrans-65-44.2175.8-176.865.7000112.1A46 F47 Q52 R53 R54A46-D50 PolarHBondContact O-N 2.82Å; F47-D50 PolarHBondContact O-N 2.84Å; D50-Q52 VanDerWaalsContact C-N 3.33Å; D50-Q52 PolarHBondContact O-N 3.11Å; D50-R53 WeakPolarHBondContact O-CB 3.19Å; D50-R53 PolarHBondContact O-N 2.95Å; D50-R53 IonicContact OD1-CZ 3.94Å; D50-R53 IonicContact OD1-NE 3.93Å; D50-R53 PolarHBondContact OD1-NE 3.49Å; D50-R53 IonicContact OD1-NH2 3.75Å; D50-R53 PolarHBondContact OD1-NH2 2.84Å; D50-R54 WeakPolarHBondContact O-CG 3.08Å; D50-R54 PolarHBondContact O-N 2.79Å; D50-R54 WeakPolarHBondContact OD2-CD 3.36Å; D50-R54 IonicContact OD2-NH1 2.75Å; D50-R54 PolarHBondContact OD2-NH1 2.88Å
51V90.6Very high87.6Confident3 Ų365.5 Ų65.52%0.01834%0.335CS..Hα-helixtrans-58.8-45.5175.9166.30000111.1L29 I33 F47 L48 R54 L55 I88L29-V51 HydrophobicContact CD1-CB 4.4Å; L29-V51 HydrophobicContact CD1-CG1 4.25Å; L29-V51 HydrophobicContact CD1-CG2 4.15Å; I33-V51 HydrophobicContact CD1-CG1 4.03Å; I33-V51 HydrophobicContact CD1-CG2 4.49Å; I33-V51 HydrophobicContact CG1-CG1 4.33Å; I33-V51 HydrophobicContact CG1-CG2 3.96Å; F47-V51 HydrophobicContact CD1-CG2 4.07Å; F47-V51 HydrophobicContact CD2-CG2 4.42Å; F47-V51 HydrophobicContact CE1-CG2 3.55Å; F47-V51 HydrophobicContact CE2-CG2 3.95Å; F47-V51 HydrophobicContact CG-CG2 4.47Å; F47-V51 HydrophobicContact CZ-CG2 3.46Å; F47-V51 VanDerWaalsContact CZ-CG2 3.46Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 2.94Å; L48-V51 PolarHBondContact O-N 2.8Å; V51-R54 PolarHBondContact O-N 2.81Å; V51-L55 WeakPolarHBondContact O-CB 3.45Å; V51-L55 PolarHBondContact O-N 3.22Å; V51-I88 HydrophobicContact CG1-CD1 3.46Å; V51-I88 VanDerWaalsContact CG1-CD1 3.46Å; V51-I88 HydrophobicContact CG1-CG1 3.92Å
52Q88.8Confident88.1Confident84 Ų8463.5 Ų63.539%0.39332%0.32SS..Hα-helixtrans-62.8-43.5177.1-76.1176.3300112.1L48 A49 D50 L55 Q56L48-Q52 WeakPolarHBondContact O-CB 3.32Å; L48-Q52 VanDerWaalsContact O-CG 3.29Å; L48-Q52 WeakPolarHBondContact O-CG 3.45Å; L48-Q52 PolarHBondContact O-N 2.9Å; A49-Q52 PolarHBondContact O-N 3.1Å; D50-Q52 VanDerWaalsContact C-N 3.33Å; D50-Q52 PolarHBondContact O-N 3.11Å; Q52-L55 PolarHBondContact O-N 3.31Å; Q52-Q56 WeakPolarHBondContact O-CG 3.41Å; Q52-Q56 PolarHBondContact O-N 2.94Å
53R93Very high88.7Confident122 Ų12270.7 Ų70.746%0.4635%0.349SS..Hα-helixtrans-59.3-48.8176.3-175.3-171.165.276.3-0.7111.1A49 D50 L55 Q56 D57A49-R53 WeakPolarHBondContact O-CB 3.33Å; A49-R53 PolarHBondContact O-N 2.81Å; D50-R53 WeakPolarHBondContact O-CB 3.19Å; D50-R53 PolarHBondContact O-N 2.95Å; D50-R53 IonicContact OD1-CZ 3.94Å; D50-R53 IonicContact OD1-NE 3.93Å; D50-R53 PolarHBondContact OD1-NE 3.49Å; D50-R53 IonicContact OD1-NH2 3.75Å; D50-R53 PolarHBondContact OD1-NH2 2.84Å; R53-L55 VanDerWaalsContact C-N 3.31Å; R53-L55 PolarHBondContact O-N 3.15Å; R53-Q56 WeakPolarHBondContact O-CB 3.48Å; R53-Q56 PolarHBondContact O-N 3.49Å; R53-Q56 VanDerWaalsContact O-N 3.1Å; R53-D57 IonicContact CZ-OD2 3.51Å; R53-D57 IonicContact NH1-OD2 2.71Å; R53-D57 PolarHBondContact NH1-OD2 2.89Å; R53-D57 PolarHBondContact O-N 3.01Å
54R93.3Very high89.3Confident37 Ų3771.1 Ų71.114%0.1435%0.352CS..Hα-helixtrans-65.3-33.8179.5-70.3167.166.1-1786.8112.8Q28 L29 D32 D50 V51 D57 L58Q28-R54 PolarHBondContact O-NH2 2.83Å; L29-R54 HydrophobicContact CD1-CB 4.02Å; L29-R54 HydrophobicContact CD2-CB 4.2Å; L29-R54 VanDerWaalsContact N-NH2 3.11Å; D32-R54 IonicContact OD2-CZ 3.44Å; D32-R54 IonicContact OD2-NH1 2.96Å; D32-R54 PolarHBondContact OD2-NH1 3.11Å; D32-R54 IonicContact OD2-NH2 2.79Å; D32-R54 PolarHBondContact OD2-NH2 2.91Å; D50-R54 WeakPolarHBondContact O-CG 3.08Å; D50-R54 PolarHBondContact O-N 2.79Å; D50-R54 WeakPolarHBondContact OD2-CD 3.36Å; D50-R54 IonicContact OD2-NH1 2.75Å; D50-R54 PolarHBondContact OD2-NH1 2.88Å; V51-R54 PolarHBondContact O-N 2.81Å; R54-D57 PolarHBondContact O-N 2.9Å; R54-L58 WeakPolarHBondContact O-CG 3.35Å; R54-L58 PolarHBondContact O-N 3.33Å
55L91.6Very high89.4Confident14 Ų1468.4 Ų68.47%0.07334%0.336CS..Hα-helixtrans-65.7-39.8172.3-174.768.5000111.5V51 Q52 R53 L58 R59 L81 V84 E85 I88V51-L55 WeakPolarHBondContact O-CB 3.45Å; V51-L55 PolarHBondContact O-N 3.22Å; Q52-L55 PolarHBondContact O-N 3.31Å; R53-L55 VanDerWaalsContact C-N 3.31Å; R53-L55 PolarHBondContact O-N 3.15Å; L55-L58 PolarHBondContact O-N 2.97Å; L55-R59 WeakPolarHBondContact O-CG 3.4Å; L55-R59 PolarHBondContact O-N 2.81Å; L55-R59 VanDerWaalsContact O-N 3.1Å; L55-L81 HydrophobicContact CD1-CD2 3.97Å; L55-V84 HydrophobicContact CD1-CG1 4.18Å; L55-E85 HydrophobicContact CD1-CG 4.18Å; L55-E85 HydrophobicContact CD2-CG 3.77Å; L55-I88 HydrophobicContact CD2-CD1 4.35Å
56Q91.1Very high89.5Confident113 Ų11365.4 Ų65.453%0.52832%0.323SS..Hα-helixtrans-64.2-41.8173.1-70.1177.15.300111.7Q52 R53 L58 R59 L60Q52-Q56 WeakPolarHBondContact O-CG 3.41Å; Q52-Q56 PolarHBondContact O-N 2.94Å; R53-Q56 WeakPolarHBondContact O-CB 3.48Å; R53-Q56 PolarHBondContact O-N 3.49Å; R53-Q56 VanDerWaalsContact O-N 3.1Å; Q56-L58 PolarHBondContact O-N 3.01Å; Q56-R59 WeakPolarHBondContact O-CB 3.38Å; Q56-R59 PolarHBondContact O-N 2.86Å; Q56-R59 VanDerWaalsContact O-N 3.17Å; Q56-L60 WeakPolarHBondContact O-CG 2.91Å; Q56-L60 PolarHBondContact O-N 2.79Å
57D92.7Very high89.1Confident73 Ų7369.9 Ų69.939%0.3934%0.337SS..Hα-helixtrans-59.6-44.3176.6-65.5-21.8000111.4R53 R54 R59 L60 L61R53-D57 IonicContact CZ-OD2 3.51Å; R53-D57 IonicContact NH1-OD2 2.71Å; R53-D57 PolarHBondContact NH1-OD2 2.89Å; R53-D57 PolarHBondContact O-N 3.01Å; R54-D57 PolarHBondContact O-N 2.9Å; D57-R59 PolarHBondContact O-N 2.8Å; D57-L60 PolarHBondContact O-N 2.81Å; D57-L61 PolarHBondContact O-N 3.46Å
58L92.7Very high88.8Confident5 Ų570.4 Ų70.43%0.02634%0.343CS..Hα-helixtrans-63.4-38.2175.3-73.5168.9000112.8F22 A25 R26 L29 R54 L55 Q56 L61 L62 L81F22-L58 HydrophobicContact CD2-CD2 4.05Å; F22-L58 HydrophobicContact CE2-CB 4.35Å; F22-L58 HydrophobicContact CE2-CD2 4.19Å; A25-L58 HydrophobicContact CB-CD2 3.72Å; R26-L58 HydrophobicContact CB-CD1 4.36Å; R26-L58 HydrophobicContact CB-CD2 4.49Å; L29-L58 HydrophobicContact CD2-CD1 3.84Å; R54-L58 WeakPolarHBondContact O-CG 3.35Å; R54-L58 PolarHBondContact O-N 3.33Å; L55-L58 PolarHBondContact O-N 2.97Å; Q56-L58 PolarHBondContact O-N 3.01Å; L58-L61 PolarHBondContact O-N 3.15Å; L58-L62 PolarHBondContact O-N 3.25Å; L58-L62 VanDerWaalsContact O-N 3.09Å; L58-L81 HydrophobicContact CB-CD2 3.71Å; L58-L81 HydrophobicContact CD1-CD2 4.32Å
59R91.7Very high88.7Confident108 Ų10869.4 Ų69.441%0.40834%0.337SS..Hα-helixtrans-65.5-39.2175.6-73.7170.6177.3170.9-6111.7L55 Q56 D57 L62 K63 L81 E85L55-R59 WeakPolarHBondContact O-CG 3.4Å; L55-R59 PolarHBondContact O-N 2.81Å; L55-R59 VanDerWaalsContact O-N 3.1Å; Q56-R59 WeakPolarHBondContact O-CB 3.38Å; Q56-R59 PolarHBondContact O-N 2.86Å; Q56-R59 VanDerWaalsContact O-N 3.17Å; D57-R59 PolarHBondContact O-N 2.8Å; R59-L62 PolarHBondContact O-N 2.77Å; R59-K63 PolarHBondContact O-N 3.31Å; R59-K63 VanDerWaalsContact O-N 3.11Å; R59-L81 HydrophobicContact CG-CD1 4Å; R59-L81 HydrophobicContact CG-CD2 4.41Å; R59-E85 IonicContact CZ-OE1 3.86Å; R59-E85 IonicContact NE-OE1 2.66Å; R59-E85 PolarHBondContact NE-OE1 2.92Å; R59-E85 IonicContact NH2-OE1 3.41Å; R59-E85 PolarHBondContact NH2-OE1 2.84Å
60L90.9Very high88.7Confident94 Ų9469.3 Ų69.349%0.49233%0.332SS..Hα-helixtrans-65.4-46.7175.5-73.5172000111.3Q56 D57 L62 K63 E64Q56-L60 WeakPolarHBondContact O-CG 2.91Å; Q56-L60 PolarHBondContact O-N 2.79Å; D57-L60 PolarHBondContact O-N 2.81Å; L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 2.91Å; L60-K63 WeakPolarHBondContact O-CB 3.25Å; L60-K63 PolarHBondContact O-N 3.35Å; L60-E64 WeakPolarHBondContact O-CG 3.23Å; L60-E64 PolarHBondContact O-N 3.38Å
61L90Very high88.3Confident26 Ų2675.8 Ų75.814%0.13636%0.358CS..Hα-helixtrans-55.6-42.2176.3-172.870.7000111.7F18 R21 F22 D57 L58 K63 E65F18-L61 HydrophobicContact CD2-CG 4.37Å; F18-L61 HydrophobicContact CE2-CG 4.29Å; R21-L61 HydrophobicContact CB-CD2 4.15Å; F22-L61 HydrophobicContact CB-CD2 3.79Å; F22-L61 HydrophobicContact CD2-CD2 4.07Å; F22-L61 HydrophobicContact CG-CD2 4.43Å; D57-L61 PolarHBondContact O-N 3.46Å; L58-L61 PolarHBondContact O-N 3.15Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-E65 VanDerWaalsContact O-CG 3.32Å; L61-E65 WeakPolarHBondContact O-CG 3.36Å; L61-E65 PolarHBondContact O-N 2.79Å
62L90.4Very high88.1Confident14 Ų1484.1 Ų84.17%0.07339%0.39CS..Hα-helixtrans-65.9-36.8176.6-172.664.1000112.8F18 F22 L58 R59 L60 M66 I69 L74 A77 Q78 L81F18-L62 HydrophobicContact CE2-CD1 4.28Å; F18-L62 HydrophobicContact CZ-CD1 3.72Å; F22-L62 HydrophobicContact CE2-CB 4.31Å; L58-L62 PolarHBondContact O-N 3.25Å; L58-L62 VanDerWaalsContact O-N 3.09Å; R59-L62 PolarHBondContact O-N 2.77Å; L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 2.91Å; L62-M66 PolarHBondContact O-N 3.31Å; L62-I69 HydrophobicContact CD1-CD1 4.1Å; L62-L74 HydrophobicContact CD1-CD1 3.82Å; L62-L74 HydrophobicContact CG-CD1 4.11Å; L62-A77 HydrophobicContact CD1-CB 3.54Å; L62-Q78 HydrophobicContact CD2-CG 3.78Å; L62-L81 HydrophobicContact CD2-CD1 3.64Å
63K87.9Confident88Confident159 Ų15980.4 Ų80.469%0.69137%0.373SS*.Hα-helixtrans-70.8-39.9-179.4-172.1-179.1178.6-176.60111.9R59 L60 L61 E65R59-K63 PolarHBondContact O-N 3.31Å; R59-K63 VanDerWaalsContact O-N 3.11Å; L60-K63 WeakPolarHBondContact O-CB 3.25Å; L60-K63 PolarHBondContact O-N 3.35Å; L61-K63 VanDerWaalsContact C-N 3.34Å; K63-E65 VanDerWaalsContact C-N 3.31Å
64E86.8Confident87.8Confident138 Ų13876 Ų7665%0.64536%0.358SS*.Hα-helixtrans-63.6-38.2177.6-71.3177.9169.700111.7L60L60-E64 WeakPolarHBondContact O-CG 3.23Å; L60-E64 PolarHBondContact O-N 3.38Å
65E84.9Confident87.5Confident29 Ų2976.9 Ų76.914%0.13637%0.373CS..THydrogen-bonded Turntrans-95.72-172.3-59.4-74.5-179.900112.8F18 R21 L61 K63 L67 V68 I69F18-E65 HydrophobicContact CB-CG 4.47Å; F18-E65 HydrophobicContact CD2-CB 3.69Å; F18-E65 HydrophobicContact CD2-CG 3.68Å; F18-E65 HydrophobicContact CE2-CB 4.07Å; F18-E65 HydrophobicContact CE2-CG 4.34Å; F18-E65 HydrophobicContact CG-CB 4.24Å; F18-E65 HydrophobicContact CG-CG 4.38Å; R21-E65 IonicContact CZ-OE1 3.72Å; R21-E65 IonicContact NH1-OE1 3.73Å; R21-E65 IonicContact NH2-OE1 2.88Å; R21-E65 PolarHBondContact NH2-OE1 2.83Å; L61-E65 VanDerWaalsContact O-CG 3.32Å; L61-E65 WeakPolarHBondContact O-CG 3.36Å; L61-E65 PolarHBondContact O-N 2.79Å; K63-E65 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.07Å; E65-V68 PolarHBondContact O-N 3.49Å; E65-I69 HydrophobicContact CB-CG2 4.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 2.8Å; E65-I69 VanDerWaalsContact O-N 3.13Å
66M84Confident87.4Confident107 Ų10780.3 Ų80.353%0.52739%0.387SS..THydrogen-bonded Turntrans-58.6-26.1-175.7-165.2-17710200113.5L62 L74L62-M66 PolarHBondContact O-N 3.31Å; M66-L74 HydrophobicContact CG-CD1 4.01Å; M66-L74 HydrophobicContact CG-CD2 3.96Å
67L78.9Confident87.3Confident164 Ų16475 Ų7586%0.85936%0.362SS*.THydrogen-bonded Turntrans-87.1-17.5179-61.9178.7000113.3E65E65-L67 PolarHBondContact O-N 3.07Å
68V81.2Confident87.3Confident46 Ų4676.2 Ų76.228%0.27937%0.366SS..THydrogen-bonded Turntrans-99.8-36-170.8-176.60000111.1E14 E65E14-V68 HydrophobicContact CB-CG1 3.54Å; E14-V68 HydrophobicContact CG-CG1 4.4Å; E14-V68 WeakPolarHBondContact OE2-CG1 3.43Å; E65-V68 PolarHBondContact O-N 3.49Å
69I84.1Confident87.2Confident13 Ų1382.5 Ų82.57%0.06739%0.393CS..SBendtrans-87.5147.6-173.768.9-179.3000113.1F18 L62 E65 L74F18-I69 HydrophobicContact CB-CG2 4.12Å; F18-I69 HydrophobicContact CD1-CD1 4.22Å; F18-I69 HydrophobicContact CD1-CG2 3.56Å; F18-I69 HydrophobicContact CE1-CD1 3.66Å; F18-I69 HydrophobicContact CE1-CG2 4.11Å; F18-I69 HydrophobicContact CG-CG2 3.82Å; F18-I69 HydrophobicContact CZ-CD1 3.87Å; L62-I69 HydrophobicContact CD1-CD1 4.1Å; E65-I69 HydrophobicContact CB-CG2 4.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.48Å; E65-I69 PolarHBondContact O-N 2.8Å; E65-I69 VanDerWaalsContact O-N 3.13Å; I69-L74 HydrophobicContact CD1-CB 3.98Å; I69-L74 HydrophobicContact CD1-CD1 4.12Å; I69-L74 HydrophobicContact CG1-CB 4.17Å
70P85.8Confident87.1Confident54 Ų5477.5 Ų77.535%0.35138%0.375SS..  trans-59149173.5-24.334.4000112.6E15 Y72 E73 L74E15-P70 VanDerWaalsContact CD-CD 3.45Å; E15-P70 WeakPolarHBondContact OE2-CG 3.49Å; P70-Y72 PolarHBondContact O-N 2.64Å; P70-Y72 VanDerWaalsContact O-N 3.08Å; P70-E73 PolarHBondContact O-N 2.56Å; P70-L74 PolarHBondContact O-N 2.88Å
71K83.6Confident87.2Confident189 Ų18973.7 Ų73.782%0.82236%0.355SS*.Hα-helixtrans-53.3-34.1177.9-67.4-176.6179.6178.90113.6A75K71-A75 PolarHBondContact O-N 3.41Å
72Y85.8Confident87.1Confident177 Ų17775.6 Ų75.669%0.69437%0.368SS*.Hα-helixtrans-63.7-47.1176.2174.7-97000111.4P70 A75 K76P70-Y72 PolarHBondContact O-N 2.64Å; P70-Y72 VanDerWaalsContact O-N 3.08Å; Y72-A75 PolarHBondContact O-N 3.28Å; Y72-K76 HydrophobicContact CE1-CD 4.25Å; Y72-K76 WeakPolarHBondContact O-CB 3.49Å; Y72-K76 PolarHBondContact O-N 2.87Å
73E87.3Confident87.1Confident7 Ų779 Ų793%0.03339%0.386CS..Hα-helixtrans-70.2-35.9-179.4-155.460.7-162.600111.2F18 Q19 Y23 P70 K76 A77F18-E73 HydrophobicContact CE1-CG 4.49Å; Q19-E73 HydrophobicContact CG-CG 4.06Å; Y23-E73 VanDerWaalsContact CE2-OE1 3.28Å; Y23-E73 WeakPolarHBondContact CE2-OE1 3.5Å; Y23-E73 PolarHBondContact OH-OE1 3.27Å; P70-E73 PolarHBondContact O-N 2.56Å; E73-K76 PolarHBondContact O-N 2.69Å; E73-K76 IonicContact OE1-NZ 3.15Å; E73-K76 PolarHBondContact OE1-NZ 3.18Å; E73-K76 IonicContact OE2-NZ 3.35Å; E73-K76 PolarHBondContact OE2-NZ 2.98Å; E73-A77 WeakPolarHBondContact O-CB 3.25Å; E73-A77 PolarHBondContact O-N 2.85Å
74L88.9Confident87.1Confident30 Ų3071.6 Ų71.616%0.15735%0.354CS..Hα-helixtrans-57.4-50.7170.7-179.864.5000111.8L62 M66 I69 P70 K76 A77 Q78L62-L74 HydrophobicContact CD1-CD1 3.82Å; L62-L74 HydrophobicContact CG-CD1 4.11Å; M66-L74 HydrophobicContact CG-CD1 4.01Å; M66-L74 HydrophobicContact CG-CD2 3.96Å; I69-L74 HydrophobicContact CD1-CB 3.98Å; I69-L74 HydrophobicContact CD1-CD1 4.12Å; I69-L74 HydrophobicContact CG1-CB 4.17Å; P70-L74 PolarHBondContact O-N 2.88Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 2.94Å; L74-A77 PolarHBondContact O-N 3.13Å; L74-Q78 HydrophobicContact CD1-CG 4.48Å; L74-Q78 WeakPolarHBondContact O-CB 3.39Å; L74-Q78 VanDerWaalsContact O-CG 3.29Å; L74-Q78 WeakPolarHBondContact O-CG 3.27Å; L74-Q78 PolarHBondContact O-N 2.86Å
75A86.5Confident87.2Confident54 Ų5467.6 Ų67.645%0.44634%0.336SS..Hα-helixtrans-63.6-38.2179.700000112.2K71 Y72 K79K71-A75 PolarHBondContact O-N 3.41Å; Y72-A75 PolarHBondContact O-N 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.17Å; A75-K79 PolarHBondContact O-N 3.27Å
76K90.6Very high87.2Confident87 Ų8769 Ų6938%0.37834%0.344SS..Hα-helixtrans-66.7-41.5176.5-174.5-172.8158.4-150.90111.9Y23 Y72 E73 L74 A80Y23-K76 WeakPolarHBondContact OH-CD 3.25Å; Y23-K76 VanDerWaalsContact OH-CE 3.31Å; Y23-K76 WeakPolarHBondContact OH-CE 3.18Å; Y23-K76 WeakPolarHBondContact OH-CG 3.28Å; Y72-K76 HydrophobicContact CE1-CD 4.25Å; Y72-K76 WeakPolarHBondContact O-CB 3.49Å; Y72-K76 PolarHBondContact O-N 2.87Å; E73-K76 PolarHBondContact O-N 2.69Å; E73-K76 IonicContact OE1-NZ 3.15Å; E73-K76 PolarHBondContact OE1-NZ 3.18Å; E73-K76 IonicContact OE2-NZ 3.35Å; E73-K76 PolarHBondContact OE2-NZ 2.98Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 2.94Å; K76-A80 WeakPolarHBondContact O-CB 3.39Å; K76-A80 PolarHBondContact O-N 3.03Å
77A89.4Confident87.2Confident0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-68.5-40.1175.700000112.3F18 F22 L62 E73 L74 A80 L81F18-A77 HydrophobicContact CE1-CB 4.41Å; F18-A77 HydrophobicContact CZ-CB 4.13Å; F22-A77 HydrophobicContact CD1-CB 4.25Å; F22-A77 HydrophobicContact CE1-CB 3.71Å; F22-A77 HydrophobicContact CE2-CB 4.42Å; F22-A77 HydrophobicContact CZ-CB 3.81Å; L62-A77 HydrophobicContact CD1-CB 3.54Å; E73-A77 WeakPolarHBondContact O-CB 3.25Å; E73-A77 PolarHBondContact O-N 2.85Å; L74-A77 PolarHBondContact O-N 3.13Å; A77-A80 WeakPolarHBondContact O-CB 3.07Å; A77-A80 PolarHBondContact O-N 2.87Å; A77-L81 PolarHBondContact O-N 2.84Å
78Q91.2Very high87.5Confident99 Ų9958.9 Ų58.946%0.46329%0.293SS..Hα-helixtrans-59.3-47.7172.4-75176.6-27.900111.7L62 L74 A80 L81 T82L62-Q78 HydrophobicContact CD2-CG 3.78Å; L74-Q78 HydrophobicContact CD1-CG 4.48Å; L74-Q78 WeakPolarHBondContact O-CB 3.39Å; L74-Q78 VanDerWaalsContact O-CG 3.29Å; L74-Q78 WeakPolarHBondContact O-CG 3.27Å; L74-Q78 PolarHBondContact O-N 2.86Å; Q78-A80 VanDerWaalsContact C-N 3.29Å; Q78-A80 PolarHBondContact O-N 2.95Å; Q78-L81 WeakPolarHBondContact O-CB 3.26Å; Q78-L81 PolarHBondContact O-N 3.45Å; Q78-T82 PolarHBondContact O-N 3.17Å; Q78-T82 VanDerWaalsContact O-N 3.11Å; Q78-T82 PolarHBondContact O-OG1 2.78Å
79K90.4Very high87.6Confident137 Ų13762.7 Ų62.760%0.59630%0.302SS*.Hα-helixtrans-58.7-43.2175.1-176-178.5175.6-172.80111.4A75 L81 T82 D83A75-K79 WeakPolarHBondContact O-CB 3.17Å; A75-K79 PolarHBondContact O-N 3.27Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.92Å; K79-T82 PolarHBondContact O-N 2.88Å; K79-T82 VanDerWaalsContact O-N 3.16Å; K79-D83 VanDerWaalsContact O-CG 3.23Å; K79-D83 PolarHBondContact O-N 3.1Å
80A90.9Very high87.1Confident4 Ų465.7 Ų65.73%0.03332%0.323CS..Hα-helixtrans-62.2-33178.500000113.2F22 Y23 K76 A77 Q78 V84F22-A80 HydrophobicContact CE1-CB 4.26Å; Y23-A80 HydrophobicContact CE1-CB 4.26Å; K76-A80 WeakPolarHBondContact O-CB 3.39Å; K76-A80 PolarHBondContact O-N 3.03Å; A77-A80 WeakPolarHBondContact O-CB 3.07Å; A77-A80 PolarHBondContact O-N 2.87Å; Q78-A80 VanDerWaalsContact C-N 3.29Å; Q78-A80 PolarHBondContact O-N 2.95Å; A80-V84 WeakPolarHBondContact O-CG2 3.2Å; A80-V84 PolarHBondContact O-N 3.1Å
81L91.6Very high86.4Confident13 Ų1365.2 Ų65.27%0.06832%0.321CS..Hα-helixtrans-67.6-45.8171.7-76.2170.8000111.8F22 L55 L58 R59 L62 A77 Q78 K79 D83 V84 E85F22-L81 HydrophobicContact CE2-CD1 4.47Å; F22-L81 HydrophobicContact CE2-CD2 4.45Å; F22-L81 HydrophobicContact CE2-CG 4.35Å; F22-L81 HydrophobicContact CZ-CD1 4.45Å; F22-L81 HydrophobicContact CZ-CD2 4.32Å; F22-L81 HydrophobicContact CZ-CG 3.98Å; L55-L81 HydrophobicContact CD1-CD2 3.97Å; L58-L81 HydrophobicContact CB-CD2 3.71Å; L58-L81 HydrophobicContact CD1-CD2 4.32Å; R59-L81 HydrophobicContact CG-CD1 4Å; R59-L81 HydrophobicContact CG-CD2 4.41Å; L62-L81 HydrophobicContact CD2-CD1 3.64Å; A77-L81 PolarHBondContact O-N 2.84Å; Q78-L81 WeakPolarHBondContact O-CB 3.26Å; Q78-L81 PolarHBondContact O-N 3.45Å; K79-L81 VanDerWaalsContact C-N 3.28Å; K79-L81 PolarHBondContact O-N 2.92Å; L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.86Å; L81-V84 PolarHBondContact O-N 3.39Å; L81-V84 VanDerWaalsContact O-N 3.14Å; L81-E85 WeakPolarHBondContact O-CG 3.49Å; L81-E85 PolarHBondContact O-N 2.82Å
82T89Confident85.7Confident66 Ų6656.5 Ų56.541%0.40528%0.284SS..Hα-helixtrans-60.1-39.1176.8-53.20000111.6Q78 K79 V84 E85 D86Q78-T82 PolarHBondContact O-N 3.17Å; Q78-T82 VanDerWaalsContact O-N 3.11Å; Q78-T82 PolarHBondContact O-OG1 2.78Å; K79-T82 PolarHBondContact O-N 2.88Å; K79-T82 VanDerWaalsContact O-N 3.16Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 3Å; T82-E85 PolarHBondContact O-N 3.28Å; T82-D86 WeakPolarHBondContact O-CB 3.46Å; T82-D86 PolarHBondContact O-N 3.22Å
83D89.8Confident84.6Confident87 Ų8752.1 Ų52.147%0.46527%0.272SS..Hα-helixtrans-62.4-39.1176.6-65.9-23.1000111.5K79 L81 L87K79-D83 VanDerWaalsContact O-CG 3.23Å; K79-D83 PolarHBondContact O-N 3.1Å; L81-D83 VanDerWaalsContact C-N 3.27Å; L81-D83 PolarHBondContact O-N 2.86Å; D83-L87 PolarHBondContact O-N 3.4Å
84V89.3Confident83.1Confident3 Ų358.5 Ų58.52%0.01830%0.3CS..Hα-helixtrans-69-43175.2175.40000111.5R26 L29 V30 I33 L55 A80 L81 T82 D86 L87 I88R26-V84 HydrophobicContact CG-CG2 3.88Å; L29-V84 HydrophobicContact CD2-CG1 3.91Å; L29-V84 HydrophobicContact CG-CG1 4.37Å; V30-V84 HydrophobicContact CG2-CG2 3.77Å; I33-V84 HydrophobicContact CD1-CG1 4.3Å; L55-V84 HydrophobicContact CD1-CG1 4.18Å; A80-V84 WeakPolarHBondContact O-CG2 3.2Å; A80-V84 PolarHBondContact O-N 3.1Å; L81-V84 PolarHBondContact O-N 3.39Å; L81-V84 VanDerWaalsContact O-N 3.14Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 3Å; V84-D86 VanDerWaalsContact C-N 3.3Å; V84-D86 PolarHBondContact O-N 3.38Å; V84-L87 WeakPolarHBondContact O-CB 3.45Å; V84-L87 PolarHBondContact O-N 3.07Å; V84-I88 HydrophobicContact CG1-CD1 4.04Å; V84-I88 WeakPolarHBondContact O-CG1 3.2Å; V84-I88 PolarHBondContact O-N 2.86Å
85E87.8Confident80.7Confident54 Ų5462.3 Ų62.325%0.25232%0.324SS..Hα-helixtrans-60.1-41.8175.4-73.7166-173.500111.9L55 R59 L81 T82 I88 R89L55-E85 HydrophobicContact CD1-CG 4.18Å; L55-E85 HydrophobicContact CD2-CG 3.77Å; R59-E85 IonicContact CZ-OE1 3.86Å; R59-E85 IonicContact NE-OE1 2.66Å; R59-E85 PolarHBondContact NE-OE1 2.92Å; R59-E85 IonicContact NH2-OE1 3.41Å; R59-E85 PolarHBondContact NH2-OE1 2.84Å; L81-E85 WeakPolarHBondContact O-CG 3.49Å; L81-E85 PolarHBondContact O-N 2.82Å; T82-E85 PolarHBondContact O-N 3.28Å; E85-I88 PolarHBondContact O-N 2.59Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 2.89Å
86D84.6Confident78.3Confident57 Ų5766.7 Ų66.731%0.30534%0.34SS..Hα-helixtrans-66.8-37176.5-81.61.5000111.7T82 V84 R89 C90T82-D86 WeakPolarHBondContact O-CB 3.46Å; T82-D86 PolarHBondContact O-N 3.22Å; V84-D86 VanDerWaalsContact C-N 3.3Å; V84-D86 PolarHBondContact O-N 3.38Å; D86-R89 PolarHBondContact O-N 2.91Å; D86-R89 IonicContact OD1-CZ 2.63Å; D86-R89 IonicContact OD1-NH1 3.98Å; D86-R89 PolarHBondContact OD1-NH1 3.1Å; D86-R89 IonicContact OD1-NH2 3.54Å; D86-R89 PolarHBondContact OD1-NH2 3.06Å; D86-R89 IonicContact OD2-NH2 3.29Å; D86-R89 PolarHBondContact OD2-NH2 3.24Å; D86-C90 VanDerWaalsContact O-CB 3.29Å; D86-C90 WeakPolarHBondContact O-CB 3.22Å; D86-C90 PolarHBondContact O-N 3.27Å; D86-C90 PolarHBondContact O-SG 3.17Å
87L85.3Confident75.9Confident40 Ų4071.6 Ų71.621%0.20936%0.361CS..Hα-helixtrans-61.5-48172.2179.966.2000111.2V30 I33 D83 V84 R89 C90 S91V30-L87 HydrophobicContact CG1-CD2 4.13Å; I33-L87 HydrophobicContact CB-CD2 4.34Å; I33-L87 HydrophobicContact CG2-CD2 3.85Å; I33-L87 HydrophobicContact CG2-CG 4.03Å; D83-L87 PolarHBondContact O-N 3.4Å; V84-L87 WeakPolarHBondContact O-CB 3.45Å; V84-L87 PolarHBondContact O-N 3.07Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.86Å; L87-C90 PolarHBondContact O-N 3.4Å; L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 3.28Å; L87-S91 PolarHBondContact O-OG 3.22Å
88I84.4Confident73.5Confident20 Ų2078.8 Ų78.810%0.10340%0.399CS..Iπ-helixtrans-59.6-47.1176.8-64.6163.5000110I33 V51 L55 V84 E85 C90 V92 L93I33-I88 HydrophobicContact CD1-CD1 4.18Å; I33-I88 HydrophobicContact CD1-CG1 3.78Å; V51-I88 HydrophobicContact CG1-CD1 3.46Å; V51-I88 VanDerWaalsContact CG1-CD1 3.46Å; V51-I88 HydrophobicContact CG1-CG1 3.92Å; L55-I88 HydrophobicContact CD2-CD1 4.35Å; V84-I88 HydrophobicContact CG1-CD1 4.04Å; V84-I88 WeakPolarHBondContact O-CG1 3.2Å; V84-I88 PolarHBondContact O-N 2.86Å; E85-I88 PolarHBondContact O-N 2.59Å; I88-C90 PolarHBondContact O-N 3.35Å; I88-V92 HydrophobicContact CG2-CB 4.41Å; I88-V92 HydrophobicContact CG2-CG2 4.46Å; I88-V92 WeakPolarHBondContact O-CA 3.33Å; I88-V92 WeakPolarHBondContact O-CB 3.43Å; I88-V92 PolarHBondContact O-N 3.41Å; I88-L93 PolarHBondContact O-N 3.21Å
89R82.6Confident70.8Confident125 Ų12579.9 Ų79.947%0.47241%0.412SS..Iπ-helixtrans-63.8-43.9-178.8-172.6177.469.7-134.2-5.8112.7E85 D86 L87E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 2.89Å; D86-R89 PolarHBondContact O-N 2.91Å; D86-R89 IonicContact OD1-CZ 2.63Å; D86-R89 IonicContact OD1-NH1 3.98Å; D86-R89 PolarHBondContact OD1-NH1 3.1Å; D86-R89 IonicContact OD1-NH2 3.54Å; D86-R89 PolarHBondContact OD1-NH2 3.06Å; D86-R89 IonicContact OD2-NH2 3.29Å; D86-R89 PolarHBondContact OD2-NH2 3.24Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.86Å
90C75.1Confident68.2Low76 Ų7682.2 Ų82.251%0.51442%0.422SS..Iπ-helixtrans-76.9-40.6-176.1-65.60000112.3D86 L87 I88D86-C90 VanDerWaalsContact O-CB 3.29Å; D86-C90 WeakPolarHBondContact O-CB 3.22Å; D86-C90 PolarHBondContact O-N 3.27Å; D86-C90 PolarHBondContact O-SG 3.17Å; L87-C90 PolarHBondContact O-N 3.4Å; I88-C90 PolarHBondContact O-N 3.35Å
91S71Confident65.5Low45 Ų4589.4 Ų89.432%0.31546%0.46SS..Iπ-helixtrans-97.1-32.5-168.6-53.70000113.1L87L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 3.28Å; L87-S91 PolarHBondContact O-OG 3.22Å
92V67.7Low62.5Low5 Ų594 Ų943%0.0350%0.5CS..Iπ-helixtrans-99.3-48.1-174.4-168.80000111.5I33 A42 L48 I88 K94I33-V92 HydrophobicContact CG2-CG2 4.39Å; A42-V92 HydrophobicContact CB-CG1 4.2Å; A42-V92 HydrophobicContact CB-CG2 4.24Å; A42-V92 WeakPolarHBondContact O-CG1 3.27Å; L48-V92 HydrophobicContact CD2-CG1 3.47Å; L48-V92 VanDerWaalsContact CD2-CG1 3.47Å; L48-V92 HydrophobicContact CG-CG1 4.39Å; I88-V92 HydrophobicContact CG2-CB 4.41Å; I88-V92 HydrophobicContact CG2-CG2 4.46Å; I88-V92 WeakPolarHBondContact O-CA 3.33Å; I88-V92 WeakPolarHBondContact O-CB 3.43Å; I88-V92 PolarHBondContact O-N 3.41Å; V92-K94 PolarHBondContact O-N 3.44Å
93L63.4Low59.8Low85 Ų8594.2 Ų94.245%0.44552%0.516SS..SBendtrans-86.1-0.6-172.9-60.5178.5000114.8I88 V95I88-L93 PolarHBondContact O-N 3.21Å; L93-V95 PolarHBondContact O-N 3.47Å; L93-V95 VanDerWaalsContact O-N 3.11Å
94K55.1Low57.1Low142 Ų142101.8 Ų101.862%0.61754%0.537SS*.  trans28.465.1178.8-73.9-173.6180172.50113.9V92 N96V92-K94 PolarHBondContact O-N 3.44Å; K94-N96 PolarHBondContact O-N 3.32Å
95V39.9Very low54.2Low110 Ų110108.2 Ų108.267%0.66758%0.576SS**  trans-79.5103.1165.4-171.60000107.4L93 K97L93-V95 PolarHBondContact O-N 3.47Å; L93-V95 VanDerWaalsContact O-N 3.11Å; V95-K97 PolarHBondContact O-N 3.03Å; V95-K97 VanDerWaalsContact O-N 3.08Å
96N35.6Very low51.8Low145 Ų145112.6 Ų112.678%0.77560%0.602SS**  trans-48.8115.3177.5-71.8-25.3000110.6K94 L98K94-N96 PolarHBondContact O-N 3.32Å; N96-L98 PolarHBondContact O-N 2.96Å
97K38.9Very low49.3Very low191 Ų191118.1 Ų118.183%0.8363%0.626SS**  trans-64.7105166.6-80.3-178.1177174.70108.2V95 V99V95-K97 PolarHBondContact O-N 3.03Å; V95-K97 VanDerWaalsContact O-N 3.08Å; K97-V99 PolarHBondContact O-N 3.31Å; K97-V99 VanDerWaalsContact O-N 3.15Å
98L40.2Very low46.8Very low151 Ų151121.8 Ų121.879%0.79165%0.65SS**  trans-57111.5167.9-96.1150.8000109.8N96N96-L98 PolarHBondContact O-N 2.96Å
99V33.8Very low44.4Very low121 Ų121129.5 Ų129.573%0.73369%0.685SS**  trans-83113.8168.71760000107.6K97 N101K97-V99 PolarHBondContact O-N 3.31Å; K97-V99 VanDerWaalsContact O-N 3.15Å; V99-N101 PolarHBondContact O-N 3.28Å
100F36.2Very low41.8Very low187 Ų187132.7 Ų132.782%0.8271%0.705SS**  trans-84.2105.7170.9-89.3-89.5000109.8
101N34.4Very low39.7Very low154 Ų154138.9 Ų138.982%0.82472%0.723SS**  trans-77116.9161.2-87.3-16.2000109V99 G103V99-N101 PolarHBondContact O-N 3.28Å; N101-G103 PolarHBondContact O-N 2.99Å
102A28.9Very low37.8Very low110 Ų110142.3 Ų142.391%0.90975%0.745SS**  trans-72.6110.3172.200000110.1
103G31.8Very low36.1Very low71 Ų71151 Ų15173%0.73278%0.782SS**  trans-121.8116.7173.500000111N101N101-G103 PolarHBondContact O-N 2.99Å
104R32.7Very low34.8Very low245 Ų245153.3 Ų153.393%0.92580%0.795SS**  trans-19.3131.9174.8-70.5169.3172.8159.2-3.2117.9
105V29.8Very low33.7Very low138 Ų138152.9 Ų152.984%0.83680%0.799SS**  trans-100.9121.4160.2177.80000107.7
106D35.5Very low33.7Very low147 Ų147154.5 Ų154.579%0.78681%0.809SS**  trans-105142.7161.8-98.1-40.2000110.2
107Q33Very low33.8Very low173 Ų173156.5 Ų156.581%0.80881%0.814SS**  trans-65.6162.5-169.5-58168.710.800112.7
108V32.4Very low33.6Very low117 Ų117152.8 Ų152.871%0.70981%0.809SS**  -179.9115.8125.4147.20000112.8
109Q33.8Very low33.3Very low182 Ų182154.8 Ų154.885%0.8581%0.812SS**  trans73.6112.7137.6-63.4168.519.400122.5
110Q28.1Very low33.3Very low191 Ų191157.8 Ų157.889%0.89382%0.817SS**  trans-88.4148.1149.5-71.1175.9-10.600111
111K31Very low33.1Very low206 Ų206153.2 Ų153.290%0.89681%0.809SS**  trans-160135.2134.5-120.9175.7-177.3177.90111.9
112P31.2Very low33.1Very low118 Ų118152.2 Ų152.277%0.76680%0.803SS**  trans-102.9169.6-173.139.7-32.9000113.4
113K32.5Very low33.2Very low188 Ų188155.9 Ų155.982%0.81780%0.802SS**  trans-151.8128.9163.9-89.8-168.7177.9178.40113.3
114N35.6Very low33.3Very low132 Ų132157 Ų15771%0.70680%0.804SS**  trans64.6151.8139-59.121.4000118.7
115D32.9Very low33.1Very low133 Ų133151.6 Ų151.671%0.71179%0.794SS**  cis-173.1155.6-19.1-95.4-42.5000102.5
116V38.9Very low33.1Very low145 Ų145152.6 Ų152.688%0.87979%0.789SS**  trans143.5121.1145.3173.90000112
117E39Very low32.9Very low187 Ų187151.9 Ų151.987%0.87479%0.79SS**  trans-77.1168.4-179.5-102.2-177.6137.200115.3
118P33.8Very low32.7Very low112 Ų112148.2 Ų148.273%0.72779%0.789SS**  trans-107168.1-157.740.8-34.4000115.3
119K35.2Very low32.7Very low194 Ų194148.2 Ų148.284%0.84379%0.791SS**  trans-148.8125.7157.3-73.5-165.4175-179.40112.6
120E32.8Very low32.5Very low183 Ų183144 Ų14486%0.85579%0.788SS**  trans17.4146.2132.2-68.5172168.300118.8
121S32.7Very low32.7Very low91 Ų91145.1 Ų145.164%0.63679%0.79SS**  cis-170.4175.114.744.40000109.7
122D33.2Very low33.3Very low133 Ų133143.9 Ų143.971%0.71178%0.779SS**  trans105.3101.9149.5-53.4-37.2000120.7
123E30.8Very low33.5Very low188 Ų188143.8 Ų143.888%0.87978%0.779SS**  43.4118.3128.8-63.6-174.5145.500120.9
124A34Very low34Very low93 Ų93137.2 Ų137.277%0.76975%0.752SS**  175.6133.4107.600000113.2
125D29.7Very low34.4Very low133 Ų133135.3 Ų135.371%0.71174%0.742SS**  trans69.2106.6139-80-24.2000123.2
126Q29.4Very low34.6Very low158 Ų158133.6 Ų133.674%0.73874%0.737SS**  104.7125.6111.4-80177.953.700121.1
127V30.8Very low34.6Very low133 Ų133129.6 Ų129.681%0.80673%0.725SS**  trans82.986.2161.9-162.90000117.4
128A28.2Very low35.2Very low95 Ų95121.7 Ų121.779%0.78569%0.694SS**PPolyproline II helixtrans-85.8131.5161.100000110.6
129P32.8Very low36.5Very low117 Ų117120.7 Ų120.776%0.7669%0.687SS**PPolyproline II helixtrans-79.9139.4168.532.3-29000109.8K131P129-K131 PolarHBondContact O-N 2.94Å
130A30.3Very low38.6Very low95 Ų95112.5 Ų112.579%0.78566%0.655SS**PPolyproline II helixtrans-53.7123.1-174.400000113.4R132A130-R132 PolarHBondContact O-N 3.32Å; A130-R132 VanDerWaalsContact O-N 3.16Å
131K32.5Very low41.4Very low214 Ų214107 Ų10793%0.9364%0.637SS**  trans-65.7108.3172.7-67.4-177.2178.1-174.50109.8P129P129-K131 PolarHBondContact O-N 2.94Å
132R42.5Very low44.3Very low179 Ų179103.2 Ų103.268%0.67561%0.609SS**PPolyproline II helixtrans-77.7151.7167.2-74.2178.7177.4-177.70.7109.7A130 L134A130-R132 PolarHBondContact O-N 3.32Å; A130-R132 VanDerWaalsContact O-N 3.16Å; R132-L134 PolarHBondContact O-N 3.11Å
133P36.8Very low47.2Very low117 Ų11799.2 Ų99.276%0.7659%0.591SS**PPolyproline II helixtrans-62.3124.7-178.425.4-32.8000109.9
134L41.8Very low50.4Low49 Ų4994.3 Ų94.326%0.25757%0.571SS.*PPolyproline II helixtrans-89.5116.3-178.3-155.770.9000108.3R132 T136 E149 L151R132-L134 PolarHBondContact O-N 3.11Å; L134-T136 PolarHBondContact O-N 3.21Å; L134-E149 HydrophobicContact CD1-CB 4.21Å; L134-L151 HydrophobicContact CD2-CB 3.59Å; L134-L151 HydrophobicContact CD2-CD1 4.34Å; L134-L151 HydrophobicContact CD2-CD2 3.74Å; L134-L151 HydrophobicContact CD2-CG 4.09Å; L134-L151 HydrophobicContact CG-CB 3.79Å
135N44.7Very low53.3Low93 Ų9395.1 Ų95.150%0.49755%0.554SS.*EExtended strand (participates in β ladder)trans-70.5103.6173.1-81.2-16.6000108.6L151N135-L151 PolarHBondContact O-N 3.47Å
136T37.1Very low56.5Low96 Ų9691.9 Ų91.959%0.58954%0.542SS*.EExtended strand (participates in β ladder)trans-84.1121.7178.454.50000110.2L134 L151L134-T136 PolarHBondContact O-N 3.21Å; T136-L151 HydrophobicContact CG2-CD2 4.26Å
137G39.3Very low59.7Low62 Ų6291.7 Ų91.764%0.63954%0.539SS*.  trans100.377.8171.100000114.5
138G51.7Low62.8Low21 Ų2188.2 Ų88.222%0.21651%0.514CS..  trans-108.6148.4171.600000112.6
139P61.3Low66Low91 Ų9186.1 Ų86.159%0.59149%0.488SS*.  trans-55.5156.6166.119.7-26.1000110.4C141P139-C141 WeakPolarHBondContact CG-O 3.18Å; P139-C141 PolarHBondContact O-N 3.13Å
140A78.5Confident68.9Low21 Ų2181.1 Ų81.117%0.17445%0.454CS..SBendtrans-55.4-11173.800000113.4L155 M161 K162A140-L155 HydrophobicContact CB-CD1 4.16Å; A140-L155 HydrophobicContact CB-CD2 3.88Å; A140-M161 CarbonylContact O-C 3.51Å; A140-M161 VanDerWaalsContact O-CA 3.29Å; A140-M161 WeakPolarHBondContact O-CA 3.37Å; A140-K162 PolarHBondContact O-N 3.12Å
141C90.6Very high71.9Confident68 Ų6877.7 Ų77.746%0.45942%0.422SS..EExtended strand (participates in β ladder)trans-115119.9177.2-58.90000110.6P139 K162P139-C141 WeakPolarHBondContact CG-O 3.18Å; P139-C141 PolarHBondContact O-N 3.13Å; C141-K162 CarbonylContact C-O 3.5Å; C141-K162 WeakPolarHBondContact CA-O 3.31Å; C141-K162 HydrophobicContact CB-CB 4.37Å
142L94Very high74.8Confident12 Ų1267.5 Ų67.56%0.06338%0.378CS..EExtended strand (participates in β ladder)trans-114.8134.5166.4-63.7175.4000109F150 L152 K162 L163 T164 L166L142-F150 HydrophobicContact CD1-CB 3.82Å; L142-F150 HydrophobicContact CD1-CD1 3.76Å; L142-F150 HydrophobicContact CD1-CD2 3.85Å; L142-F150 HydrophobicContact CD1-CE1 4.29Å; L142-F150 HydrophobicContact CD1-CE2 4.35Å; L142-F150 HydrophobicContact CD1-CG 3.51Å; L142-F150 HydrophobicContact CD2-CD1 4.19Å; L142-F150 HydrophobicContact CD2-CE1 4.25Å; L142-L152 HydrophobicContact CD1-CD1 4.31Å; L142-L152 HydrophobicContact CD1-CD2 4.01Å; L142-L152 HydrophobicContact CD1-CG 4.48Å; L142-L152 HydrophobicContact CG-CD2 4.36Å; L142-K162 PolarHBondContact N-O 3.06Å; L142-L163 HydrophobicContact CB-CD2 3.76Å; L142-L163 HydrophobicContact CD1-CD2 3.97Å; L142-L163 HydrophobicContact CG-CD2 4.04Å; L142-L163 WeakPolarHBondContact O-CA 3.37Å; L142-T164 PolarHBondContact O-N 3.38Å; L142-L166 HydrophobicContact CB-CD2 4.34Å
143S95.6Very high77.1Confident48 Ų4862.4 Ų62.434%0.33636%0.362SS..EExtended strand (participates in β ladder)trans-143.9154.717272.90000113.4R145 T164S143-R145 PolarHBondContact O-NH1 2.94Å; S143-T164 WeakPolarHBondContact CA-O 3.26Å; S143-T164 WeakPolarHBondContact CB-O 3.41Å
144D96.2Very high79.5Confident85 Ų8563.2 Ų63.246%0.45536%0.36SS..EExtended strand (participates in β ladder)trans57.355.4171.2-48.4-74.3000111.5T164 R165D144-T164 PolarHBondContact N-O 2.97Å; D144-R165 VanDerWaalsContact CA-O 3.29Å; D144-R165 WeakPolarHBondContact CA-O 3.28Å; D144-R165 VanDerWaalsContact CG-NH2 3.31Å; D144-R165 PolarHBondContact N-O 3.45Å; D144-R165 VanDerWaalsContact N-O 3.17Å; D144-R165 IonicContact OD1-CZ 3.5Å; D144-R165 VanDerWaalsContact OD1-CZ 3.3Å; D144-R165 IonicContact OD1-NE 3.08Å; D144-R165 PolarHBondContact OD1-NE 2.95Å; D144-R165 IonicContact OD1-NH2 3.3Å; D144-R165 PolarHBondContact OD1-NH2 3.04Å; D144-R165 VanDerWaalsContact OD1-NH2 3.08Å; D144-R165 IonicContact OD2-CZ 3.6Å; D144-R165 IonicContact OD2-NE 2.76Å; D144-R165 IonicContact OD2-NH2 3.71Å; D144-R165 PolarHBondContact OD2-NH2 2.71Å
145R96.3Very high81.8Confident110 Ų11062 Ų6242%0.41535%0.354SS..EExtended strand (participates in β ladder)trans-127.5153.4178.5-60.2-68.8-179.9-87.6-1.1110.3S143 E148 F150 R165 L166 S167S143-R145 PolarHBondContact O-NH1 2.94Å; R145-E148 WeakPolarHBondContact CB-OE1 3.33Å; R145-E148 VanDerWaalsContact CD-OE1 3.24Å; R145-E148 WeakPolarHBondContact CD-OE1 3.41Å; R145-F150 HydrophobicContact CB-CE2 4.01Å; R145-F150 HydrophobicContact CB-CZ 3.83Å; R145-F150 HydrophobicContact CG-CE2 4.25Å; R145-F150 HydrophobicContact CG-CZ 3.65Å; R145-R165 PolarHBondContact N-O 3.14Å; R145-L166 HydrophobicContact CB-CD2 3.92Å; R145-L166 HydrophobicContact CG-CD2 4.32Å; R145-L166 WeakPolarHBondContact O-CA 3.06Å; R145-S167 PolarHBondContact O-N 3.5Å
146S96.7Very high83.8Confident65 Ų6564 Ų6446%0.45536%0.358SS..EExtended strand (participates in β ladder)trans-149.8141.2178.563.20000112.9E148 S167S146-E148 VanDerWaalsContact C-N 3.25Å; S146-E148 PolarHBondContact N-OE1 3.08Å; S146-E148 PolarHBondContact O-N 3.49Å; S146-S167 CarbonylContact C-O 3.46Å; S146-S167 WeakPolarHBondContact CA-O 3.27Å; S146-S167 WeakPolarHBondContact CB-O 3.33Å
147K96.7Very high86.2Confident155 Ų15563.8 Ų63.867%0.67435%0.353SS*.SBendtrans59.735176.3-57.6172.6179.9173.80113.3S167 Q168K147-S167 PolarHBondContact N-O 3.06Å; K147-Q168 VanDerWaalsContact CA-O 3.25Å; K147-Q168 WeakPolarHBondContact CA-O 3.47Å; K147-Q168 HydrophobicContact CG-CB 3.98Å; K147-Q168 VanDerWaalsContact CG-OE1 3.25Å; K147-Q168 PolarHBondContact N-O 3.34Å
148E95.1Very high88.6Confident59 Ų5966.6 Ų66.628%0.27635%0.353SS..  trans-123.9152.4-175.3-74173.5-97.600111.5R145 S146 F150 C169 Y170R145-E148 WeakPolarHBondContact CB-OE1 3.33Å; R145-E148 VanDerWaalsContact CD-OE1 3.24Å; R145-E148 WeakPolarHBondContact CD-OE1 3.41Å; S146-E148 VanDerWaalsContact C-N 3.25Å; S146-E148 PolarHBondContact N-OE1 3.08Å; S146-E148 PolarHBondContact O-N 3.49Å; E148-F150 HydrophobicContact CB-CD2 4.32Å; E148-F150 HydrophobicContact CB-CE2 3.45Å; E148-F150 VanDerWaalsContact CB-CE2 3.45Å; E148-F150 HydrophobicContact CB-CZ 3.56Å; E148-F150 HydrophobicContact CG-CZ 4.28Å; E148-F150 WeakPolarHBondContact OE2-CZ 3.29Å; E148-C169 WeakPolarHBondContact O-CA 3.29Å; E148-C169 WeakPolarHBondContact O-CB 3.41Å; E148-Y170 PolarHBondContact O-N 3.49Å
149E95.5Very high90.5Very high51 Ų5168.5 Ų68.524%0.23836%0.356CS..EExtended strand (participates in β ladder)trans-111.8133.1172.7-54.3-169.5-167.400110.4L134 Y170L134-E149 HydrophobicContact CD1-CB 4.21Å; E149-Y170 CarbonylContact C-O 3.51Å; E149-Y170 VanDerWaalsContact CA-O 3.23Å; E149-Y170 WeakPolarHBondContact CA-O 3.46Å
150F94.5Very high92.1Very high12 Ų1267 Ų675%0.05335%0.345CS..EExtended strand (participates in β ladder)trans-124.2134.4-175.9-62.1-82.4000111.3L142 R145 E148 Y170 V171 R172L142-F150 HydrophobicContact CD1-CB 3.82Å; L142-F150 HydrophobicContact CD1-CD1 3.76Å; L142-F150 HydrophobicContact CD1-CD2 3.85Å; L142-F150 HydrophobicContact CD1-CE1 4.29Å; L142-F150 HydrophobicContact CD1-CE2 4.35Å; L142-F150 HydrophobicContact CD1-CG 3.51Å; L142-F150 HydrophobicContact CD2-CD1 4.19Å; L142-F150 HydrophobicContact CD2-CE1 4.25Å; R145-F150 HydrophobicContact CB-CE2 4.01Å; R145-F150 HydrophobicContact CB-CZ 3.83Å; R145-F150 HydrophobicContact CG-CE2 4.25Å; R145-F150 HydrophobicContact CG-CZ 3.65Å; E148-F150 HydrophobicContact CB-CD2 4.32Å; E148-F150 HydrophobicContact CB-CE2 3.45Å; E148-F150 VanDerWaalsContact CB-CE2 3.45Å; E148-F150 HydrophobicContact CB-CZ 3.56Å; E148-F150 HydrophobicContact CG-CZ 4.28Å; E148-F150 WeakPolarHBondContact OE2-CZ 3.29Å; F150-Y170 PolarHBondContact N-O 3.28Å; F150-V171 HydrophobicContact CB-CG1 4.27Å; F150-V171 HydrophobicContact CB-CG2 4.31Å; F150-V171 HydrophobicContact CD2-CG2 4.05Å; F150-R172 PolarHBondContact O-N 3.46Å
151L93.6Very high92.9Very high23 Ų2366 Ų6612%0.1234%0.336CS..EExtended strand (participates in β ladder)trans-106.1111.6164.1-177.566.6000109.5L134 N135 T136 E153 R172 V174L134-L151 HydrophobicContact CD2-CB 3.59Å; L134-L151 HydrophobicContact CD2-CD1 4.34Å; L134-L151 HydrophobicContact CD2-CD2 3.74Å; L134-L151 HydrophobicContact CD2-CG 4.09Å; L134-L151 HydrophobicContact CG-CB 3.79Å; N135-L151 PolarHBondContact O-N 3.47Å; T136-L151 HydrophobicContact CG2-CD2 4.26Å; L151-E153 HydrophobicContact CG-CG 4.5Å; L151-R172 HydrophobicContact CD1-CB 4Å; L151-V174 HydrophobicContact CD1-CB 4.36Å; L151-V174 HydrophobicContact CD1-CG2 3.47Å; L151-V174 VanDerWaalsContact CD1-CG2 3.47Å
152L92.3Very high93.2Very high1 Ų167.7 Ų67.71%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-95.9109.4173-58.1-176.6000108.7L142 L155 M161 L163 V171 R172 L173 V174L142-L152 HydrophobicContact CD1-CD1 4.31Å; L142-L152 HydrophobicContact CD1-CD2 4.01Å; L142-L152 HydrophobicContact CD1-CG 4.48Å; L142-L152 HydrophobicContact CG-CD2 4.36Å; L152-L155 HydrophobicContact CB-CD1 4.49Å; L152-M161 HydrophobicContact CD1-CG 4.24Å; L152-M161 HydrophobicContact CD1-SD 3.71Å; L152-L163 HydrophobicContact CD1-CD2 4.16Å; L152-V171 HydrophobicContact CD1-CG1 3.78Å; L152-V171 HydrophobicContact CG-CG1 4.06Å; L152-R172 PolarHBondContact N-O 2.85Å; L152-L173 HydrophobicContact CB-CB 4.49Å; L152-L173 HydrophobicContact CB-CD1 3.9Å; L152-L173 WeakPolarHBondContact O-CA 3.25Å; L152-V174 PolarHBondContact O-N 3.26Å
153E90.4Very high93.4Very high71 Ų7167.1 Ų67.133%0.33233%0.333SS..  trans-130.3171.5179.656180167.400109.7L151 L155 S175L151-E153 HydrophobicContact CG-CG 4.5Å; E153-L155 PolarHBondContact O-N 3.2Å; E153-S175 WeakPolarHBondContact CA-OG 3.43Å
154N88.1Confident93.5Very high135 Ų13566.3 Ų66.372%0.72233%0.326SS*.SBendtrans60.226179-55.5-55.2000114.7S175N154-S175 PolarHBondContact N-OG 2.99Å; N154-S175 VanDerWaalsContact N-OG 3.11Å
155L89.7Confident93.5Very high24 Ų2468 Ų6813%0.12633%0.326CS..  trans-89.6157.3170.3-57.3-176.2000111A140 L152 E153 L173 S175 V177A140-L155 HydrophobicContact CB-CD1 4.16Å; A140-L155 HydrophobicContact CB-CD2 3.88Å; L152-L155 HydrophobicContact CB-CD1 4.49Å; E153-L155 PolarHBondContact O-N 3.2Å; L155-L173 HydrophobicContact CD1-CD1 3.71Å; L155-L173 HydrophobicContact CG-CD1 4.49Å; L155-S175 PolarHBondContact N-OG 3.05Å; L155-V177 HydrophobicContact CB-CG1 3.74Å; L155-V177 HydrophobicContact CD1-CG1 3.83Å; L155-V177 HydrophobicContact CG-CG1 4.46Å
156K87.3Confident93.6Very high133 Ų13362.8 Ų62.858%0.57831%0.307SS*.  trans-116.2159.6-176.9-63.4-178.6180-179.50110.9N158 H159 V176K156-N158 WeakPolarHBondContact CB-OD1 3.36Å; K156-N158 PolarHBondContact O-N 3.05Å; K156-N158 VanDerWaalsContact O-N 3.1Å; K156-H159 PolarHBondContact N-ND1 3.49Å; K156-H159 VanDerWaalsContact O-CB 3.26Å; K156-H159 WeakPolarHBondContact O-CB 3.42Å; K156-H159 PolarHBondContact O-N 3.34Å; K156-V176 CarbonylContact C-O 3.53Å
157I87.6Confident93.7Very high93 Ų9361.8 Ų61.848%0.47730%0.299SS..THydrogen-bonded Turntrans-60.9-21-179.6-164.4166.1000113.9H159 V176 G178 A196I157-H159 VanDerWaalsContact C-N 3.35Å; I157-V176 WeakPolarHBondContact CA-O 3.49Å; I157-V176 HydrophobicContact CB-CG1 4.48Å; I157-V176 HydrophobicContact CD1-CG1 4.22Å; I157-V176 HydrophobicContact CG1-CG1 4.16Å; I157-V176 PolarHBondContact N-O 3.31Å; I157-V176 VanDerWaalsContact N-O 3.15Å; I157-G178 WeakPolarHBondContact O-CA 3.35Å; I157-G178 PolarHBondContact O-N 3.39Å; I157-A196 HydrophobicContact CD1-CB 3.91Å; I157-A196 HydrophobicContact CG1-CB 3.82Å
158N89.2Confident93.8Very high120 Ų12059 Ų5964%0.64229%0.289SS*.THydrogen-bonded Turntrans-86.2-5.2174.367.3-50.9000113.3K156K156-N158 WeakPolarHBondContact CB-OD1 3.36Å; K156-N158 PolarHBondContact O-N 3.05Å; K156-N158 VanDerWaalsContact O-N 3.1Å
159H92.1Very high93.9Very high62 Ų6256.3 Ų56.329%0.28728%0.277SS..  trans-84.6156177.3-61.6172.5000111.3K156 I157 G178K156-H159 PolarHBondContact N-ND1 3.49Å; K156-H159 VanDerWaalsContact O-CB 3.26Å; K156-H159 WeakPolarHBondContact O-CB 3.42Å; K156-H159 PolarHBondContact O-N 3.34Å; I157-H159 VanDerWaalsContact C-N 3.35Å; H159-G178 PolarHBondContact O-N 2.93Å
160V93.4Very high93.9Very high58 Ų5856.8 Ų56.835%0.35228%0.277SS..EExtended strand (participates in β ladder)trans-117.2121.4172.9178.10000108.1K162 A179 N181V160-K162 HydrophobicContact CG1-CG 4.32Å; V160-A179 CarbonylContact C-O 3.57Å; V160-A179 WeakPolarHBondContact CA-O 3.34Å; V160-A179 HydrophobicContact CG1-CB 4.23Å; V160-A179 HydrophobicContact CG2-CB 4.25Å; V160-N181 WeakPolarHBondContact CG1-ND2 3.26Å
161M95.6Very high94Very high0 Ų056.2 Ų56.20%027%0.274CS..EExtended strand (participates in β ladder)trans-75.8134.5173.3-175.1-179.66300109.7A140 L152 L163 L173 V177 A179 A180 N181 L182A140-M161 CarbonylContact O-C 3.51Å; A140-M161 VanDerWaalsContact O-CA 3.29Å; A140-M161 WeakPolarHBondContact O-CA 3.37Å; L152-M161 HydrophobicContact CD1-CG 4.24Å; L152-M161 HydrophobicContact CD1-SD 3.71Å; M161-L163 HydrophobicContact CE-CD1 4.22Å; M161-L163 HydrophobicContact CE-CG 4.4Å; M161-L163 HydrophobicContact CG-CD2 4.14Å; M161-L163 HydrophobicContact CG-CG 4.17Å; M161-L163 HydrophobicContact SD-CD1 4.13Å; M161-L163 HydrophobicContact SD-CD2 4.27Å; M161-L163 HydrophobicContact SD-CG 4.16Å; M161-L173 HydrophobicContact CE-CD2 4.08Å; M161-L173 HydrophobicContact SD-CB 4.22Å; M161-L173 HydrophobicContact SD-CD1 4.49Å; M161-L173 HydrophobicContact SD-CD2 3.82Å; M161-L173 HydrophobicContact SD-CG 4.39Å; M161-V177 HydrophobicContact CB-CG2 4.38Å; M161-A179 PolarHBondContact N-O 2.92Å; M161-A180 HydrophobicContact CB-CB 4.35Å; M161-A180 HydrophobicContact CE-CB 3.69Å; M161-A180 CarbonylContact O-C 3.52Å; M161-A180 WeakPolarHBondContact O-CA 3.36Å; M161-N181 PolarHBondContact O-N 3.35Å; M161-L182 HydrophobicContact CE-CD2 3.74Å
162K96.9Very high94Very high104 Ų10457.1 Ų57.145%0.45228%0.276SS..EExtended strand (participates in β ladder)trans-130111.7175.8-61.9-175.6-179.7177.40110.2A140 C141 L142 V160 N181A140-K162 PolarHBondContact O-N 3.12Å; C141-K162 CarbonylContact C-O 3.5Å; C141-K162 WeakPolarHBondContact CA-O 3.31Å; C141-K162 HydrophobicContact CB-CB 4.37Å; L142-K162 PolarHBondContact N-O 3.06Å; V160-K162 HydrophobicContact CG1-CG 4.32Å; K162-N181 CarbonylContact C-O 3.56Å; K162-N181 WeakPolarHBondContact CA-O 2.92Å; K162-N181 HydrophobicContact CG-CB 4.36Å
163L97.7Very high94Very high0 Ų057 Ų570%028%0.276CS..EExtended strand (participates in β ladder)trans-111.2125173.2-53-174.1000107.6L142 L152 M161 L166 V171 N181 L182 K183 L185 I190L142-L163 HydrophobicContact CB-CD2 3.76Å; L142-L163 HydrophobicContact CD1-CD2 3.97Å; L142-L163 HydrophobicContact CG-CD2 4.04Å; L142-L163 WeakPolarHBondContact O-CA 3.37Å; L152-L163 HydrophobicContact CD1-CD2 4.16Å; M161-L163 HydrophobicContact CE-CD1 4.22Å; M161-L163 HydrophobicContact CE-CG 4.4Å; M161-L163 HydrophobicContact CG-CD2 4.14Å; M161-L163 HydrophobicContact CG-CG 4.17Å; M161-L163 HydrophobicContact SD-CD1 4.13Å; M161-L163 HydrophobicContact SD-CD2 4.27Å; M161-L163 HydrophobicContact SD-CG 4.16Å; L163-L166 HydrophobicContact CB-CD1 3.91Å; L163-L166 HydrophobicContact CD1-CD1 4.38Å; L163-L166 HydrophobicContact CD2-CD1 4.44Å; L163-L166 HydrophobicContact CG-CD1 4.47Å; L163-V171 HydrophobicContact CD1-CB 4.19Å; L163-V171 HydrophobicContact CD1-CG1 3.94Å; L163-V171 HydrophobicContact CD1-CG2 4.15Å; L163-N181 PolarHBondContact N-O 3Å; L163-L182 HydrophobicContact CB-CD2 3.8Å; L163-L182 HydrophobicContact CD1-CD2 3.65Å; L163-L182 HydrophobicContact CG-CD2 3.69Å; L163-K183 PolarHBondContact O-N 3.45Å; L163-L185 HydrophobicContact CB-CD1 4.49Å; L163-L185 HydrophobicContact CB-CD2 4.33Å; L163-I190 HydrophobicContact CD1-CD1 3.78Å; L163-I190 HydrophobicContact CD1-CG1 4.4Å; L163-I190 HydrophobicContact CD1-CG2 4.01Å
164T97.8Very high94Very high31 Ų3155.5 Ų55.519%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-142.1130.6-173.8-57.30000112.4L142 S143 D144 K183L142-T164 PolarHBondContact O-N 3.38Å; S143-T164 WeakPolarHBondContact CA-O 3.26Å; S143-T164 WeakPolarHBondContact CB-O 3.41Å; D144-T164 PolarHBondContact N-O 2.97Å; T164-K183 CarbonylContact C-O 3.52Å; T164-K183 WeakPolarHBondContact CA-O 3.1Å; T164-K183 HydrophobicContact CG2-CB 4.45Å
165R97.9Very high94.1Very high120 Ų12049.9 Ų49.945%0.45324%0.243SC..EExtended strand (participates in β ladder)trans56.854.9178.5-63.2-178.4-53.5-80.2-5.5112.2D144 R145 K183 D184D144-R165 VanDerWaalsContact CA-O 3.29Å; D144-R165 WeakPolarHBondContact CA-O 3.28Å; D144-R165 VanDerWaalsContact CG-NH2 3.31Å; D144-R165 PolarHBondContact N-O 3.45Å; D144-R165 VanDerWaalsContact N-O 3.17Å; D144-R165 IonicContact OD1-CZ 3.5Å; D144-R165 VanDerWaalsContact OD1-CZ 3.3Å; D144-R165 IonicContact OD1-NE 3.08Å; D144-R165 PolarHBondContact OD1-NE 2.95Å; D144-R165 IonicContact OD1-NH2 3.3Å; D144-R165 PolarHBondContact OD1-NH2 3.04Å; D144-R165 VanDerWaalsContact OD1-NH2 3.08Å; D144-R165 IonicContact OD2-CZ 3.6Å; D144-R165 IonicContact OD2-NE 2.76Å; D144-R165 IonicContact OD2-NH2 3.71Å; D144-R165 PolarHBondContact OD2-NH2 2.71Å; R145-R165 PolarHBondContact N-O 3.14Å; R165-K183 PolarHBondContact N-O 3.47Å; R165-D184 WeakPolarHBondContact CA-O 3.27Å; R165-D184 HydrophobicContact CG-CB 3.85Å; R165-D184 PolarHBondContact N-O 3.39Å
166L98.1Very high94.1Very high2 Ų249.6 Ų49.61%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-106.9141.3172.4-43.1-177.9000109.7L142 R145 L163 C169 V171 D184 L185 T186 C188L142-L166 HydrophobicContact CB-CD2 4.34Å; R145-L166 HydrophobicContact CB-CD2 3.92Å; R145-L166 HydrophobicContact CG-CD2 4.32Å; R145-L166 WeakPolarHBondContact O-CA 3.06Å; L163-L166 HydrophobicContact CB-CD1 3.91Å; L163-L166 HydrophobicContact CD1-CD1 4.38Å; L163-L166 HydrophobicContact CD2-CD1 4.44Å; L163-L166 HydrophobicContact CG-CD1 4.47Å; L166-C169 HydrophobicContact CB-CB 4.22Å; L166-V171 HydrophobicContact CD1-CG2 4.2Å; L166-D184 PolarHBondContact N-O 2.93Å; L166-L185 HydrophobicContact CB-CD2 3.72Å; L166-L185 HydrophobicContact CD1-CD2 4.11Å; L166-L185 HydrophobicContact CG-CD2 3.64Å; L166-L185 WeakPolarHBondContact O-CA 3.34Å; L166-T186 PolarHBondContact O-N 3.1Å; L166-C188 PolarHBondContact O-SG 2.93Å; L166-C188 VanDerWaalsContact O-SG 3.38Å
167S98.2Very high94.3Very high43 Ų4343.3 Ų43.330%0.30121%0.214SC..EExtended strand (participates in β ladder)trans-130.5127.4177.9-178.50000111.7R145 S146 K147 C169 T186R145-S167 PolarHBondContact O-N 3.5Å; S146-S167 CarbonylContact C-O 3.46Å; S146-S167 WeakPolarHBondContact CA-O 3.27Å; S146-S167 WeakPolarHBondContact CB-O 3.33Å; K147-S167 PolarHBondContact N-O 3.06Å; S167-C169 VanDerWaalsContact C-N 3.25Å; S167-C169 PolarHBondContact O-N 2.99Å; S167-C169 PolarHBondContact O-SG 3.2Å; S167-T186 CarbonylContact C-O 3.5Å; S167-T186 VanDerWaalsContact CA-O 3.24Å; S167-T186 WeakPolarHBondContact CA-O 3.41Å
168Q98Very high94.5Very high96 Ų9639.5 Ų39.545%0.44920%0.198SC..SBendtrans59.236.2178.3-58.2177.2-19.600113K147 T186 D187K147-Q168 VanDerWaalsContact CA-O 3.25Å; K147-Q168 WeakPolarHBondContact CA-O 3.47Å; K147-Q168 HydrophobicContact CG-CB 3.98Å; K147-Q168 VanDerWaalsContact CG-OE1 3.25Å; K147-Q168 PolarHBondContact N-O 3.34Å; Q168-T186 PolarHBondContact N-O 3.09Å; Q168-D187 VanDerWaalsContact CA-O 3.27Å; Q168-D187 WeakPolarHBondContact CA-O 3.48Å; Q168-D187 HydrophobicContact CG-CB 3.74Å
169C97.7Very high94.8Very high4 Ų434.4 Ų34.43%0.02717%0.172CC..  trans-104.8147.4-178.1-65.90000112.1E148 L166 S167 C188 T189E148-C169 WeakPolarHBondContact O-CA 3.29Å; E148-C169 WeakPolarHBondContact O-CB 3.41Å; L166-C169 HydrophobicContact CB-CB 4.22Å; S167-C169 VanDerWaalsContact C-N 3.25Å; S167-C169 PolarHBondContact O-N 2.99Å; S167-C169 PolarHBondContact O-SG 3.2Å; C169-C188 PolarHBondContact N-SG 2.95Å; C169-C188 VanDerWaalsContact N-SG 3.39Å; C169-C188 CarbonylContact O-C 3.53Å; C169-C188 VanDerWaalsContact O-CA 3.22Å; C169-C188 WeakPolarHBondContact O-CA 3.44Å; C169-C188 WeakPolarHBondContact O-CB 3.49Å; C169-T189 PolarHBondContact O-N 3.29Å
170Y96.5Very high95Very high60 Ų6031.4 Ų31.424%0.23516%0.159CC..EExtended strand (participates in β ladder)trans-111.6118.6170-165.4-83.8000109.3E148 E149 F150 R172 T189 V191E148-Y170 PolarHBondContact O-N 3.49Å; E149-Y170 CarbonylContact C-O 3.51Å; E149-Y170 VanDerWaalsContact CA-O 3.23Å; E149-Y170 WeakPolarHBondContact CA-O 3.46Å; F150-Y170 PolarHBondContact N-O 3.28Å; Y170-R172 HydrophobicContact CD1-CG 3.96Å; Y170-R172 HydrophobicContact CE1-CG 3.42Å; Y170-R172 VanDerWaalsContact CE1-CG 3.42Å; Y170-T189 CarbonylContact C-O 3.57Å; Y170-T189 WeakPolarHBondContact CA-O 3.29Å; Y170-T189 HydrophobicContact CD2-CG2 3.9Å; Y170-T189 HydrophobicContact CE2-CG2 3.54Å; Y170-V191 HydrophobicContact CE1-CG2 4.46Å
171V95.4Very high95.2Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-120.8122.5-177.1-174.80000109.6F150 L152 L163 L166 T189 I190 V191F150-V171 HydrophobicContact CB-CG1 4.27Å; F150-V171 HydrophobicContact CB-CG2 4.31Å; F150-V171 HydrophobicContact CD2-CG2 4.05Å; L152-V171 HydrophobicContact CD1-CG1 3.78Å; L152-V171 HydrophobicContact CG-CG1 4.06Å; L163-V171 HydrophobicContact CD1-CB 4.19Å; L163-V171 HydrophobicContact CD1-CG1 3.94Å; L163-V171 HydrophobicContact CD1-CG2 4.15Å; L166-V171 HydrophobicContact CD1-CG2 4.2Å; V171-T189 PolarHBondContact N-O 2.9Å; V171-I190 HydrophobicContact CB-CD1 3.71Å; V171-I190 HydrophobicContact CB-CG2 4.5Å; V171-I190 HydrophobicContact CG2-CD1 3.68Å; V171-I190 WeakPolarHBondContact O-CA 3.28Å; V171-V191 PolarHBondContact O-N 3.22Å
172R94Very high95.4Very high42 Ų4231.3 Ų31.316%0.15816%0.156CC..EExtended strand (participates in β ladder)trans-105123.9169.9-62.5-163.3-70.7-89.214.8109.9F150 L151 L152 Y170 V174 V191F150-R172 PolarHBondContact O-N 3.46Å; L151-R172 HydrophobicContact CD1-CB 4Å; L152-R172 PolarHBondContact N-O 2.85Å; Y170-R172 HydrophobicContact CD1-CG 3.96Å; Y170-R172 HydrophobicContact CE1-CG 3.42Å; Y170-R172 VanDerWaalsContact CE1-CG 3.42Å; R172-V174 HydrophobicContact CB-CG2 4.4Å; R172-V191 CarbonylContact C-O 3.58Å; R172-V191 WeakPolarHBondContact CA-O 3.29Å
173L92.6Very high95.4Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-104.9105.2170.4170.166.5000109L152 L155 M161 S175 V177 V191 C192 C193L152-L173 HydrophobicContact CB-CB 4.49Å; L152-L173 HydrophobicContact CB-CD1 3.9Å; L152-L173 WeakPolarHBondContact O-CA 3.25Å; L155-L173 HydrophobicContact CD1-CD1 3.71Å; L155-L173 HydrophobicContact CG-CD1 4.49Å; M161-L173 HydrophobicContact CE-CD2 4.08Å; M161-L173 HydrophobicContact SD-CB 4.22Å; M161-L173 HydrophobicContact SD-CD1 4.49Å; M161-L173 HydrophobicContact SD-CD2 3.82Å; M161-L173 HydrophobicContact SD-CG 4.39Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 WeakPolarHBondContact CG-O 3.5Å; L173-V177 HydrophobicContact CD1-CG1 4.15Å; L173-V177 HydrophobicContact CD2-CG1 4.08Å; L173-V177 HydrophobicContact CD2-CG2 3.77Å; L173-V191 PolarHBondContact N-O 3.04Å; L173-C192 HydrophobicContact CB-CB 4.3Å; L173-C192 HydrophobicContact CD2-CB 4.21Å; L173-C193 PolarHBondContact O-N 2.85Å
174V90.9Very high95.5Very high38 Ų3832.9 Ų32.923%0.2317%0.165CC..  trans-102.838.9-179.2-164.80000110L151 L152 R172 L295L151-V174 HydrophobicContact CD1-CB 4.36Å; L151-V174 HydrophobicContact CD1-CG2 3.47Å; L151-V174 VanDerWaalsContact CD1-CG2 3.47Å; L152-V174 PolarHBondContact O-N 3.26Å; R172-V174 HydrophobicContact CB-CG2 4.4Å; V174-L295 HydrophobicContact CG2-CD2 4.4Å
175S90.1Very high95.5Very high18 Ų1831.4 Ų31.413%0.12616%0.156CC..SBendtrans-148.8143179.2-66.80000110.3E153 N154 L155 L173 V177E153-S175 WeakPolarHBondContact CA-OG 3.43Å; N154-S175 PolarHBondContact N-OG 2.99Å; N154-S175 VanDerWaalsContact N-OG 3.11Å; L155-S175 PolarHBondContact N-OG 3.05Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 WeakPolarHBondContact CG-O 3.5Å; S175-V177 PolarHBondContact O-N 3.12Å
176V89.6Confident95.5Very high18 Ų1827.7 Ų27.711%0.10915%0.147CC..  trans-77.6121.3175.51750000109.4K156 I157 Q254 A255K156-V176 CarbonylContact C-O 3.53Å; I157-V176 WeakPolarHBondContact CA-O 3.49Å; I157-V176 HydrophobicContact CB-CG1 4.48Å; I157-V176 HydrophobicContact CD1-CG1 4.22Å; I157-V176 HydrophobicContact CG1-CG1 4.16Å; I157-V176 PolarHBondContact N-O 3.31Å; I157-V176 VanDerWaalsContact N-O 3.15Å; V176-Q254 HydrophobicContact CG2-CB 3.88Å; V176-A255 HydrophobicContact CG1-CB 3.81Å; V176-A255 HydrophobicContact CG2-CB 4.42Å
177V91.4Very high95.5Very high0 Ų030.3 Ų30.30%016%0.161CC..  trans-114.2160.5177.1-60.40000110.8L155 M161 L173 S175 V195 A196L155-V177 HydrophobicContact CB-CG1 3.74Å; L155-V177 HydrophobicContact CD1-CG1 3.83Å; L155-V177 HydrophobicContact CG-CG1 4.46Å; M161-V177 HydrophobicContact CB-CG2 4.38Å; L173-V177 HydrophobicContact CD1-CG1 4.15Å; L173-V177 HydrophobicContact CD2-CG1 4.08Å; L173-V177 HydrophobicContact CD2-CG2 3.77Å; S175-V177 PolarHBondContact O-N 3.12Å; V177-V195 HydrophobicContact CG2-CG1 4.19Å; V177-V195 HydrophobicContact CG2-CG2 4.04Å; V177-A196 PolarHBondContact O-N 3.33Å
178G91.9Very high95.6Very high13 Ų1328.3 Ų28.313%0.13415%0.147CC..SBendtrans-70.1-45.5-179.500000112.1I157 H159 S197I157-G178 WeakPolarHBondContact O-CA 3.35Å; I157-G178 PolarHBondContact O-N 3.39Å; H159-G178 PolarHBondContact O-N 2.93Å; G178-S197 WeakPolarHBondContact O-CB 3.4Å; G178-S197 PolarHBondContact O-N 2.92Å; G178-S197 PolarHBondContact O-OG 3.1Å
179A94.8Very high95.5Very high13 Ų1325.2 Ų25.211%0.10713%0.134CC..EExtended strand (participates in β ladder)trans-150.1162.2179.300000111.2V160 M161 S198V160-A179 CarbonylContact C-O 3.57Å; V160-A179 WeakPolarHBondContact CA-O 3.34Å; V160-A179 HydrophobicContact CG1-CB 4.23Å; V160-A179 HydrophobicContact CG2-CB 4.25Å; M161-A179 PolarHBondContact N-O 2.92Å; A179-S198 VanDerWaalsContact CA-O 3.29Å; A179-S198 WeakPolarHBondContact CA-O 3.21Å
180A97.3Very high95.5Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-129.9134173.700000111.2M161 V195 S198 V199 Y200M161-A180 HydrophobicContact CB-CB 4.35Å; M161-A180 HydrophobicContact CE-CB 3.69Å; M161-A180 CarbonylContact O-C 3.52Å; M161-A180 WeakPolarHBondContact O-CA 3.36Å; A180-V195 HydrophobicContact CB-CG2 4.34Å; A180-S198 PolarHBondContact N-O 3.01Å; A180-V199 HydrophobicContact CB-CG1 4.45Å; A180-V199 HydrophobicContact CB-CG2 4.25Å; A180-V199 WeakPolarHBondContact O-CA 3.48Å; A180-Y200 PolarHBondContact O-N 3.25Å
181N97.7Very high95.4Very high55 Ų5522.1 Ų22.129%0.29412%0.122SC..EExtended strand (participates in β ladder)trans-118.8115.5172.3-65.9-77000108.9V160 M161 K162 L163 Y200V160-N181 WeakPolarHBondContact CG1-ND2 3.26Å; M161-N181 PolarHBondContact O-N 3.35Å; K162-N181 CarbonylContact C-O 3.56Å; K162-N181 WeakPolarHBondContact CA-O 2.92Å; K162-N181 HydrophobicContact CG-CB 4.36Å; L163-N181 PolarHBondContact N-O 3Å; N181-Y200 WeakPolarHBondContact CA-O 3.22Å
182L98.4Very high95.3Very high1 Ų122.1 Ų22.11%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-118.7110-174.7-53-176.9000107.6M161 L163 L185 I190 V199 Y200 V201 A202 F209M161-L182 HydrophobicContact CE-CD2 3.74Å; L163-L182 HydrophobicContact CB-CD2 3.8Å; L163-L182 HydrophobicContact CD1-CD2 3.65Å; L163-L182 HydrophobicContact CG-CD2 3.69Å; L182-L185 HydrophobicContact CB-CD1 4Å; L182-I190 HydrophobicContact CD1-CG2 4.3Å; L182-V199 HydrophobicContact CD1-CG1 4.36Å; L182-Y200 PolarHBondContact N-O 3.11Å; L182-V201 HydrophobicContact CB-CG1 4.48Å; L182-V201 HydrophobicContact CB-CG2 4.19Å; L182-V201 HydrophobicContact CD1-CG2 4.08Å; L182-V201 HydrophobicContact CG-CG2 4.48Å; L182-V201 CarbonylContact O-C 3.12Å; L182-V201 VanDerWaalsContact O-CA 3.29Å; L182-V201 WeakPolarHBondContact O-CA 3.4Å; L182-A202 PolarHBondContact O-N 2.99Å; L182-F209 HydrophobicContact CB-CE1 4.21Å; L182-F209 HydrophobicContact CD1-CD1 3.46Å; L182-F209 VanDerWaalsContact CD1-CD1 3.46Å; L182-F209 HydrophobicContact CD1-CE1 3.53Å; L182-F209 HydrophobicContact CG-CE1 4.48Å
183K98.3Very high95.2Very high90 Ų9020.2 Ų20.239%0.39112%0.115SC..EExtended strand (participates in β ladder)trans-133.8141-169.4-165.6-173.9169.1-178.10112.8L163 T164 R165 L185 A202L163-K183 PolarHBondContact O-N 3.45Å; T164-K183 CarbonylContact C-O 3.52Å; T164-K183 WeakPolarHBondContact CA-O 3.1Å; T164-K183 HydrophobicContact CG2-CB 4.45Å; R165-K183 PolarHBondContact N-O 3.47Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 WeakPolarHBondContact O-CD2 3.21Å; K183-L185 PolarHBondContact O-N 3.17Å; K183-A202 CarbonylContact C-O 3.5Å; K183-A202 VanDerWaalsContact CA-O 3.26Å; K183-A202 WeakPolarHBondContact CA-O 3.37Å; K183-A202 HydrophobicContact CG-CB 4.26Å
184D98.1Very high95.1Very high47 Ų4720.2 Ų20.225%0.25112%0.115SC..EExtended strand (participates in β ladder)trans55.547.6173.1-48.4-43.6000110.9R165 L166 A202 N203R165-D184 WeakPolarHBondContact CA-O 3.27Å; R165-D184 HydrophobicContact CG-CB 3.85Å; R165-D184 PolarHBondContact N-O 3.39Å; L166-D184 PolarHBondContact N-O 2.93Å; D184-A202 PolarHBondContact N-O 3.04Å; D184-N203 VanDerWaalsContact CA-O 3.27Å; D184-N203 WeakPolarHBondContact CA-O 3.35Å; D184-N203 WeakPolarHBondContact OD1-CB 3.21Å; D184-N203 PolarHBondContact OD1-ND2 3.46Å
185L98.6Very high95.2Very high0 Ų018.4 Ų18.40%010%0.104CC..EExtended strand (participates in β ladder)trans-102.8141.3-179.5-50.2-175.2000110.7L163 L166 L182 K183 C188 I190 C204 E205 F209L163-L185 HydrophobicContact CB-CD1 4.49Å; L163-L185 HydrophobicContact CB-CD2 4.33Å; L166-L185 HydrophobicContact CB-CD2 3.72Å; L166-L185 HydrophobicContact CD1-CD2 4.11Å; L166-L185 HydrophobicContact CG-CD2 3.64Å; L166-L185 WeakPolarHBondContact O-CA 3.34Å; L182-L185 HydrophobicContact CB-CD1 4Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 WeakPolarHBondContact O-CD2 3.21Å; K183-L185 PolarHBondContact O-N 3.17Å; L185-C188 HydrophobicContact CB-CB 4.34Å; L185-I190 HydrophobicContact CD1-CD1 4.23Å; L185-I190 HydrophobicContact CD1-CG1 4.12Å; L185-C204 HydrophobicContact CB-CB 4.43Å; L185-C204 CarbonylContact O-C 3.56Å; L185-C204 VanDerWaalsContact O-CA 3.24Å; L185-C204 WeakPolarHBondContact O-CA 3.44Å; L185-E205 PolarHBondContact O-N 3.44Å; L185-F209 HydrophobicContact CD1-CE1 3.99Å; L185-F209 HydrophobicContact CD1-CZ 4.33Å
186T98.5Very high95.3Very high41 Ų4118.2 Ų18.225%0.25210%0.104SC..EExtended strand (participates in β ladder)trans-137.2129179.9-50.50000111.1L166 S167 Q168 C188 E205L166-T186 PolarHBondContact O-N 3.1Å; S167-T186 CarbonylContact C-O 3.5Å; S167-T186 VanDerWaalsContact CA-O 3.24Å; S167-T186 WeakPolarHBondContact CA-O 3.41Å; Q168-T186 PolarHBondContact N-O 3.09Å; T186-C188 PolarHBondContact O-N 3.08Å; T186-C188 PolarHBondContact O-SG 2.63Å; T186-C188 VanDerWaalsContact O-SG 3.38Å; T186-E205 VanDerWaalsContact CA-O 3.3Å; T186-E205 WeakPolarHBondContact CA-O 3.32Å; T186-E205 HydrophobicContact CG2-CB 4.5Å
187D98.4Very high95.4Very high57 Ų5719.6 Ų19.631%0.30511%0.114SC..SBendtrans57.730.8-179.4-59-60.9000113.5Q168 E205 R206Q168-D187 VanDerWaalsContact CA-O 3.27Å; Q168-D187 WeakPolarHBondContact CA-O 3.48Å; Q168-D187 HydrophobicContact CG-CB 3.74Å; D187-E205 PolarHBondContact N-O 2.82Å; D187-R206 VanDerWaalsContact CA-O 3.29Å; D187-R206 WeakPolarHBondContact CA-O 3.49Å; D187-R206 WeakPolarHBondContact OD1-CB 3.48Å; D187-R206 IonicContact OD1-CZ 3.62Å; D187-R206 IonicContact OD1-NE 2.75Å; D187-R206 PolarHBondContact OD1-NE 3.05Å; D187-R206 IonicContact OD1-NH2 2.79Å; D187-R206 IonicContact OD2-CZ 2.71Å; D187-R206 IonicContact OD2-NE 3.59Å; D187-R206 IonicContact OD2-NH2 3.55Å; D187-R206 PolarHBondContact OD2-NH2 3.3Å
188C98.4Very high95.6Very high1 Ų121.6 Ų21.61%0.00713%0.128CC..  trans-102.6148.6-176.7-67.50000113.1L166 C169 L185 T186 I190 C207 T208L166-C188 PolarHBondContact O-SG 2.93Å; L166-C188 VanDerWaalsContact O-SG 3.38Å; C169-C188 PolarHBondContact N-SG 2.95Å; C169-C188 VanDerWaalsContact N-SG 3.39Å; C169-C188 CarbonylContact O-C 3.53Å; C169-C188 VanDerWaalsContact O-CA 3.22Å; C169-C188 WeakPolarHBondContact O-CA 3.44Å; C169-C188 WeakPolarHBondContact O-CB 3.49Å; L185-C188 HydrophobicContact CB-CB 4.34Å; T186-C188 PolarHBondContact O-N 3.08Å; T186-C188 PolarHBondContact O-SG 2.63Å; T186-C188 VanDerWaalsContact O-SG 3.38Å; C188-I190 HydrophobicContact CB-CD1 4.21Å; C188-C207 PolarHBondContact N-SG 3.5Å; C188-C207 VanDerWaalsContact N-SG 3.43Å; C188-C207 CarbonylContact O-C 3.51Å; C188-C207 WeakPolarHBondContact O-CA 3.35Å; C188-C207 WeakPolarHBondContact O-CB 3.33Å; C188-T208 PolarHBondContact O-N 2.86Å
189T97.7Very high95.9Very high31 Ų3121 Ų2119%0.1912%0.122CC..EExtended strand (participates in β ladder)trans-116.1120.1169-54.80000109.7C169 Y170 V171 V191 T208 F293C169-T189 PolarHBondContact O-N 3.29Å; Y170-T189 CarbonylContact C-O 3.57Å; Y170-T189 WeakPolarHBondContact CA-O 3.29Å; Y170-T189 HydrophobicContact CD2-CG2 3.9Å; Y170-T189 HydrophobicContact CE2-CG2 3.54Å; V171-T189 PolarHBondContact N-O 2.9Å; T189-V191 HydrophobicContact CG2-CG2 4.06Å; T189-T208 CarbonylContact C-O 3.55Å; T189-T208 WeakPolarHBondContact CA-O 3.39Å; T189-F293 HydrophobicContact CG2-CD1 4.22Å; T189-F293 HydrophobicContact CG2-CE1 3.84Å
190I96.8Very high96Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-117.1115.9-178.3-46.4-58.9000108.6L163 V171 L182 L185 C188 T208 F209 V210L163-I190 HydrophobicContact CD1-CD1 3.78Å; L163-I190 HydrophobicContact CD1-CG1 4.4Å; L163-I190 HydrophobicContact CD1-CG2 4.01Å; V171-I190 HydrophobicContact CB-CD1 3.71Å; V171-I190 HydrophobicContact CB-CG2 4.5Å; V171-I190 HydrophobicContact CG2-CD1 3.68Å; V171-I190 WeakPolarHBondContact O-CA 3.28Å; L182-I190 HydrophobicContact CD1-CG2 4.3Å; L185-I190 HydrophobicContact CD1-CD1 4.23Å; L185-I190 HydrophobicContact CD1-CG1 4.12Å; C188-I190 HydrophobicContact CB-CD1 4.21Å; I190-T208 PolarHBondContact N-O 3.29Å; I190-F209 HydrophobicContact CB-CD1 3.92Å; I190-F209 HydrophobicContact CB-CE1 4.34Å; I190-F209 HydrophobicContact CG1-CD1 3.9Å; I190-F209 HydrophobicContact CG1-CE1 3.79Å; I190-F209 WeakPolarHBondContact O-CA 3.47Å; I190-V210 PolarHBondContact O-N 3.41Å
191V95.2Very high96.1Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-115.4116.1-179.1-173.50000109.3Y170 V171 R172 L173 T189 V210 K249 F293 L295Y170-V191 HydrophobicContact CE1-CG2 4.46Å; V171-V191 PolarHBondContact O-N 3.22Å; R172-V191 CarbonylContact C-O 3.58Å; R172-V191 WeakPolarHBondContact CA-O 3.29Å; L173-V191 PolarHBondContact N-O 3.04Å; T189-V191 HydrophobicContact CG2-CG2 4.06Å; V191-V210 HydrophobicContact CB-CB 4.43Å; V191-V210 HydrophobicContact CG1-CB 4.13Å; V191-V210 HydrophobicContact CG1-CG1 4.33Å; V191-V210 HydrophobicContact CG2-CB 4.38Å; V191-V210 HydrophobicContact CG2-CG2 4.1Å; V191-K249 VanDerWaalsContact CG1-NZ 3.34Å; V191-F293 HydrophobicContact CG1-CB 4.37Å; V191-F293 HydrophobicContact CG2-CB 4.35Å; V191-F293 HydrophobicContact CG2-CD1 4.06Å; V191-F293 HydrophobicContact CG2-CG 4.45Å; V191-L295 HydrophobicContact CG1-CD2 3.81Å; V191-L295 HydrophobicContact CG1-CG 3.97Å
192C93Very high96.1Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-118141-174.3-62.70000112L173 V210 V211 Y247L173-C192 HydrophobicContact CB-CB 4.3Å; L173-C192 HydrophobicContact CD2-CB 4.21Å; C192-V210 PolarHBondContact N-O 3Å; C192-V211 HydrophobicContact CB-CG1 4.24Å; C192-Y247 PolarHBondContact O-OH 3.32Å; C192-Y247 VanDerWaalsContact O-OH 3.1Å
193C91.1Very high96.1Very high1 Ų124.9 Ų24.91%0.00714%0.135CC..SBendtrans-54.9159.8149.6-77.50000110.3L173 V195L173-C193 PolarHBondContact O-N 2.85Å; C193-V195 PolarHBondContact O-N 3.42Å
194P91.8Very high96.1Very high0 Ų020.7 Ų20.70%012%0.117CC..PPolyproline II helixtrans-52.9133.7178.1-29.638.4000113.8A212 F252 A255 L257P194-A212 HydrophobicContact CB-CB 3.95Å; P194-A212 HydrophobicContact CG-CB 4.03Å; P194-F252 HydrophobicContact CG-CD1 4.39Å; P194-A255 HydrophobicContact CB-CB 3.59Å; P194-L257 HydrophobicContact CB-CD1 3.94Å
195V92.8Very high96.1Very high0 Ų022.2 Ų22.20%012%0.123CC..PPolyproline II helixtrans-96.6127.3177.3177.90000108.4V177 A180 C193 S197 V199 A212 C213V177-V195 HydrophobicContact CG2-CG1 4.19Å; V177-V195 HydrophobicContact CG2-CG2 4.04Å; A180-V195 HydrophobicContact CB-CG2 4.34Å; C193-V195 PolarHBondContact O-N 3.42Å; V195-S197 VanDerWaalsContact C-N 3.35Å; V195-S197 PolarHBondContact O-N 3.34Å; V195-V199 HydrophobicContact CB-CG2 3.96Å; V195-V199 HydrophobicContact CG1-CG2 4.08Å; V195-V199 HydrophobicContact CG2-CG2 3.95Å; V195-A212 PolarHBondContact N-O 3.21Å; V195-C213 HydrophobicContact CB-CB 4.27Å; V195-C213 WeakPolarHBondContact O-CA 3.45Å
196A91.2Very high96.1Very high15 Ų1527 Ų2712%0.12414%0.141CC..SBendtrans-64.5-34.9-16700000114.1I157 V177 Q214I157-A196 HydrophobicContact CD1-CB 3.91Å; I157-A196 HydrophobicContact CG1-CB 3.82Å; V177-A196 PolarHBondContact O-N 3.33Å; A196-Q214 VanDerWaalsContact O-CD 3.27Å; A196-Q214 WeakPolarHBondContact O-CG 3.46Å; A196-Q214 PolarHBondContact O-NE2 3.44Å
197S92.3Very high96.1Very high46 Ų4625.1 Ų25.132%0.32213%0.129SC..SBendtrans-119.4-84.1-17770.10000113.2G178 V195 Q214 Q215G178-S197 WeakPolarHBondContact O-CB 3.4Å; G178-S197 PolarHBondContact O-N 2.92Å; G178-S197 PolarHBondContact O-OG 3.1Å; V195-S197 VanDerWaalsContact C-N 3.35Å; V195-S197 PolarHBondContact O-N 3.34Å; S197-Q214 WeakPolarHBondContact O-CA 3.48Å; S197-Q214 WeakPolarHBondContact O-CB 3.29Å; S197-Q214 PolarHBondContact O-N 2.97Å; S197-Q215 PolarHBondContact O-N 3.4Å; S197-Q215 VanDerWaalsContact O-N 3.14Å
198S95Very high96.1Very high42 Ų4223.1 Ų23.129%0.29412%0.119SC..EExtended strand (participates in β ladder)trans-130.1147.5-16757.50000112.6A179 A180 Q215A179-S198 VanDerWaalsContact CA-O 3.29Å; A179-S198 WeakPolarHBondContact CA-O 3.21Å; A180-S198 PolarHBondContact N-O 3.01Å; S198-Q215 VanDerWaalsContact CA-O 3.29Å; S198-Q215 WeakPolarHBondContact CA-O 3.32Å
199V98.1Very high96.1Very high1 Ų123 Ų231%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-119.6121.5170.31780000107.4A180 L182 V195 V201 V211 C213 Q215 L216 R217A180-V199 HydrophobicContact CB-CG1 4.45Å; A180-V199 HydrophobicContact CB-CG2 4.25Å; A180-V199 WeakPolarHBondContact O-CA 3.48Å; L182-V199 HydrophobicContact CD1-CG1 4.36Å; V195-V199 HydrophobicContact CB-CG2 3.96Å; V195-V199 HydrophobicContact CG1-CG2 4.08Å; V195-V199 HydrophobicContact CG2-CG2 3.95Å; V199-V201 HydrophobicContact CG1-CG2 3.98Å; V199-V211 HydrophobicContact CG1-CG1 4.45Å; V199-V211 HydrophobicContact CG2-CB 4.39Å; V199-C213 HydrophobicContact CB-CB 4.47Å; V199-C213 HydrophobicContact CG2-CB 3.68Å; V199-Q215 PolarHBondContact N-O 3.43Å; V199-L216 HydrophobicContact CB-CD1 4Å; V199-L216 HydrophobicContact CG1-CD1 3.97Å; V199-R217 PolarHBondContact O-N 3.48Å
200Y98.3Very high96Very high87 Ų8721.8 Ų21.834%0.34111%0.111SC..EExtended strand (participates in β ladder)trans-111.1122.9175.2-179.6-119.9000109.6A180 N181 L182 A202 R217 H219A180-Y200 PolarHBondContact O-N 3.25Å; N181-Y200 WeakPolarHBondContact CA-O 3.22Å; L182-Y200 PolarHBondContact N-O 3.11Å; Y200-A202 HydrophobicContact CE1-CB 3.72Å; Y200-A202 HydrophobicContact CE2-CB 4.41Å; Y200-R217 WeakPolarHBondContact CA-O 3.47Å; Y200-R217 HydrophobicContact CD2-CB 3.94Å; Y200-H219 HydrophobicContact CE2-CB 4.18Å
201V98.7Very high96Very high0 Ų021.8 Ų21.80%011%0.111CC..EExtended strand (participates in β ladder)trans-119.6125178.3-173.20000109.1L182 V199 C204 F209 R217 I218 H219 F226L182-V201 HydrophobicContact CB-CG1 4.48Å; L182-V201 HydrophobicContact CB-CG2 4.19Å; L182-V201 HydrophobicContact CD1-CG2 4.08Å; L182-V201 HydrophobicContact CG-CG2 4.48Å; L182-V201 CarbonylContact O-C 3.12Å; L182-V201 VanDerWaalsContact O-CA 3.29Å; L182-V201 WeakPolarHBondContact O-CA 3.4Å; V199-V201 HydrophobicContact CG1-CG2 3.98Å; V201-C204 HydrophobicContact CG1-CB 3.93Å; V201-C204 VanDerWaalsContact CG1-SG 3.53Å; V201-F209 HydrophobicContact CG1-CE1 4.2Å; V201-F209 HydrophobicContact CG1-CE2 3.82Å; V201-F209 HydrophobicContact CG1-CZ 3.62Å; V201-R217 PolarHBondContact N-O 2.97Å; V201-I218 CarbonylContact O-C 3.56Å; V201-I218 WeakPolarHBondContact O-CA 3.21Å; V201-H219 PolarHBondContact O-N 3.39Å; V201-F226 HydrophobicContact CB-CE1 4.4Å; V201-F226 HydrophobicContact CB-CZ 4.29Å; V201-F226 HydrophobicContact CG1-CZ 4.16Å; V201-F226 HydrophobicContact CG2-CE1 3.86Å; V201-F226 HydrophobicContact CG2-CZ 4.23Å
202A98.2Very high95.9Very high2 Ų221.8 Ų21.82%0.01711%0.111CC..EExtended strand (participates in β ladder)trans-141.5138.8-177.500000113.2L182 K183 D184 Y200 C204 H219L182-A202 PolarHBondContact O-N 2.99Å; K183-A202 CarbonylContact C-O 3.5Å; K183-A202 VanDerWaalsContact CA-O 3.26Å; K183-A202 WeakPolarHBondContact CA-O 3.37Å; K183-A202 HydrophobicContact CG-CB 4.26Å; D184-A202 PolarHBondContact N-O 3.04Å; Y200-A202 HydrophobicContact CE1-CB 3.72Å; Y200-A202 HydrophobicContact CE2-CB 4.41Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 3.03Å; A202-C204 PolarHBondContact O-SG 2.96Å; A202-H219 VanDerWaalsContact CA-O 3.27Å; A202-H219 WeakPolarHBondContact CA-O 3.41Å; A202-H219 HydrophobicContact CB-CB 4.43Å
203N98Very high96Very high62 Ų6221.8 Ų21.833%0.33211%0.111SC..SBendtrans56.541.6177.5-53.6-27.4000112.9D184 H219 N220D184-N203 VanDerWaalsContact CA-O 3.27Å; D184-N203 WeakPolarHBondContact CA-O 3.35Å; D184-N203 WeakPolarHBondContact OD1-CB 3.21Å; D184-N203 PolarHBondContact OD1-ND2 3.46Å; N203-H219 PolarHBondContact N-O 3.41Å; N203-H219 VanDerWaalsContact N-O 3.11Å; N203-N220 VanDerWaalsContact CA-O 3.25Å; N203-N220 WeakPolarHBondContact CA-O 3.38Å; N203-N220 PolarHBondContact N-O 2.91Å; N203-N220 WeakPolarHBondContact OD1-CB 3.46Å
204C98.5Very high96.1Very high1 Ų125.2 Ų25.21%0.00713%0.127CC..  trans-105.2143.8-179.4-64.30000111.4L185 V201 A202 F209 S221 T222 C224L185-C204 HydrophobicContact CB-CB 4.43Å; L185-C204 CarbonylContact O-C 3.56Å; L185-C204 VanDerWaalsContact O-CA 3.24Å; L185-C204 WeakPolarHBondContact O-CA 3.44Å; V201-C204 HydrophobicContact CG1-CB 3.93Å; V201-C204 VanDerWaalsContact CG1-SG 3.53Å; A202-C204 VanDerWaalsContact C-N 3.3Å; A202-C204 PolarHBondContact O-N 3.03Å; A202-C204 PolarHBondContact O-SG 2.96Å; C204-F209 HydrophobicContact CB-CE2 4.3Å; C204-F209 HydrophobicContact CB-CZ 3.97Å; C204-S221 PolarHBondContact N-OG 2.78Å; C204-S221 VanDerWaalsContact N-OG 3.13Å; C204-S221 CarbonylContact O-C 3.56Å; C204-S221 WeakPolarHBondContact O-CA 3.45Å; C204-S221 VanDerWaalsContact O-CB 3.27Å; C204-S221 WeakPolarHBondContact O-CB 3.44Å; C204-T222 PolarHBondContact O-N 2.96Å; C204-C224 PolarHBondContact O-SG 3.29Å
205E98.4Very high96.3Very high80 Ų8028.3 Ų28.337%0.37414%0.141SC..BIsolated β-bridgetrans-136.7133.6-178.2177.5173.8-165.600111.8L185 T186 D187 C207 T222L185-E205 PolarHBondContact O-N 3.44Å; T186-E205 VanDerWaalsContact CA-O 3.3Å; T186-E205 WeakPolarHBondContact CA-O 3.32Å; T186-E205 HydrophobicContact CG2-CB 4.5Å; D187-E205 PolarHBondContact N-O 2.82Å; E205-C207 PolarHBondContact O-N 2.99Å; E205-C207 PolarHBondContact O-SG 3.05Å; E205-T222 VanDerWaalsContact CA-O 3.31Å; E205-T222 WeakPolarHBondContact CA-O 3.47Å; E205-T222 HydrophobicContact CB-CG2 4.06Å; E205-T222 HydrophobicContact CG-CG2 3.71Å
206R98.4Very high96.5Very high100 Ų10028.3 Ų28.338%0.37714%0.141SC..SBendtrans55.439.2178.5-63.1-176.9-52.5-83.2-4.7112.8D187 T222 N223D187-R206 VanDerWaalsContact CA-O 3.29Å; D187-R206 WeakPolarHBondContact CA-O 3.49Å; D187-R206 WeakPolarHBondContact OD1-CB 3.48Å; D187-R206 IonicContact OD1-CZ 3.62Å; D187-R206 IonicContact OD1-NE 2.75Å; D187-R206 PolarHBondContact OD1-NE 3.05Å; D187-R206 IonicContact OD1-NH2 2.79Å; D187-R206 IonicContact OD2-CZ 2.71Å; D187-R206 IonicContact OD2-NE 3.59Å; D187-R206 IonicContact OD2-NH2 3.55Å; D187-R206 PolarHBondContact OD2-NH2 3.3Å; R206-T222 PolarHBondContact N-O 3.17Å; R206-N223 WeakPolarHBondContact CA-O 3.32Å; R206-N223 HydrophobicContact CG-CB 4.38Å; R206-N223 PolarHBondContact N-O 3.01Å
207C98.6Very high96.9Very high1 Ų133.8 Ų33.81%0.00716%0.159CC..  trans-107.2152.6-177.8-74.90000112.5C188 E205 F209 C224 K225C188-C207 PolarHBondContact N-SG 3.5Å; C188-C207 VanDerWaalsContact N-SG 3.43Å; C188-C207 CarbonylContact O-C 3.51Å; C188-C207 WeakPolarHBondContact O-CA 3.35Å; C188-C207 WeakPolarHBondContact O-CB 3.33Å; E205-C207 PolarHBondContact O-N 2.99Å; E205-C207 PolarHBondContact O-SG 3.05Å; C207-F209 HydrophobicContact CB-CD2 4.2Å; C207-F209 HydrophobicContact CB-CE1 4.39Å; C207-F209 HydrophobicContact CB-CE2 3.35Å; C207-F209 HydrophobicContact CB-CZ 3.46Å; C207-F209 VanDerWaalsContact CB-CZ 3.46Å; C207-C224 CarbonylContact O-C 3.42Å; C207-C224 WeakPolarHBondContact O-CA 3.36Å; C207-K225 PolarHBondContact O-N 3.35Å
208T98.2Very high97.2Very high15 Ų1531.8 Ų31.89%0.09214%0.144CC..EExtended strand (participates in β ladder)trans-116.8127.9168.8-59.10000110.1C188 T189 I190 K225 Y227 F293C188-T208 PolarHBondContact O-N 2.86Å; T189-T208 CarbonylContact C-O 3.55Å; T189-T208 WeakPolarHBondContact CA-O 3.39Å; I190-T208 PolarHBondContact N-O 3.29Å; T208-K225 CarbonylContact C-O 3.54Å; T208-K225 WeakPolarHBondContact CA-O 3.41Å; T208-K225 HydrophobicContact CG2-CB 4.24Å; T208-Y227 HydrophobicContact CG2-CD2 3.92Å; T208-Y227 HydrophobicContact CG2-CE2 3.8Å; T208-F293 HydrophobicContact CG2-CE1 4.06Å; T208-F293 HydrophobicContact CG2-CE2 4.15Å; T208-F293 HydrophobicContact CG2-CZ 3.51Å
209F98Very high97.3Very high0 Ų031.9 Ų31.90%014%0.14CC..EExtended strand (participates in β ladder)trans-119.8124.3-179.8-58.7-80.7000110L182 L185 I190 V201 C204 C207 V211 C224 K225 F226 Y227L182-F209 HydrophobicContact CB-CE1 4.21Å; L182-F209 HydrophobicContact CD1-CD1 3.46Å; L182-F209 VanDerWaalsContact CD1-CD1 3.46Å; L182-F209 HydrophobicContact CD1-CE1 3.53Å; L182-F209 HydrophobicContact CG-CE1 4.48Å; L185-F209 HydrophobicContact CD1-CE1 3.99Å; L185-F209 HydrophobicContact CD1-CZ 4.33Å; I190-F209 HydrophobicContact CB-CD1 3.92Å; I190-F209 HydrophobicContact CB-CE1 4.34Å; I190-F209 HydrophobicContact CG1-CD1 3.9Å; I190-F209 HydrophobicContact CG1-CE1 3.79Å; I190-F209 WeakPolarHBondContact O-CA 3.47Å; V201-F209 HydrophobicContact CG1-CE1 4.2Å; V201-F209 HydrophobicContact CG1-CE2 3.82Å; V201-F209 HydrophobicContact CG1-CZ 3.62Å; C204-F209 HydrophobicContact CB-CE2 4.3Å; C204-F209 HydrophobicContact CB-CZ 3.97Å; C207-F209 HydrophobicContact CB-CD2 4.2Å; C207-F209 HydrophobicContact CB-CE1 4.39Å; C207-F209 HydrophobicContact CB-CE2 3.35Å; C207-F209 HydrophobicContact CB-CZ 3.46Å; C207-F209 VanDerWaalsContact CB-CZ 3.46Å; F209-V211 HydrophobicContact CB-CG1 4.44Å; F209-C224 HydrophobicContact CE2-CB 4.25Å; F209-K225 PolarHBondContact N-O 3.17Å; F209-F226 HydrophobicContact CB-CD1 3.68Å; F209-F226 HydrophobicContact CB-CE1 3.82Å; F209-F226 HydrophobicContact CB-CG 4.38Å; F209-F226 AromaticContact CD2-CD1 4Å; F209-F226 HydrophobicContact CD2-CD1 4Å; F209-F226 HydrophobicContact CD2-CD2 4.44Å; F209-F226 AromaticContact CD2-CE1 3.44Å; F209-F226 HydrophobicContact CD2-CE1 3.44Å; F209-F226 VanDerWaalsContact CD2-CE1 3.44Å; F209-F226 AromaticContact CD2-CE2 3.94Å; F209-F226 HydrophobicContact CD2-CE2 3.94Å; F209-F226 HydrophobicContact CD2-CG 4.46Å; F209-F226 AromaticContact CD2-CZ 3.4Å; F209-F226 HydrophobicContact CD2-CZ 3.4Å; F209-F226 VanDerWaalsContact CD2-CZ 3.4Å; F209-F226 HydrophobicContact CE2-CE1 4.21Å; F209-F226 HydrophobicContact CE2-CE2 4.4Å; F209-F226 AromaticContact CE2-CZ 3.82Å; F209-F226 HydrophobicContact CE2-CZ 3.82Å; F209-F226 HydrophobicContact CG-CD1 4.15Å; F209-F226 AromaticContact CG-CE1 3.77Å; F209-F226 HydrophobicContact CG-CE1 3.77Å; F209-F226 HydrophobicContact CG-CZ 4.2Å; F209-F226 CarbonylContact O-C 3.57Å; F209-F226 WeakPolarHBondContact O-CA 3.41Å; F209-Y227 PolarHBondContact O-N 3.3Å
210V96.2Very high97.3Very high4 Ų435.2 Ų35.22%0.02416%0.158CC..EExtended strand (participates in β ladder)trans-113.499.8175.3-172.20000107.1I190 V191 C192 Y227 Y247 F293I190-V210 PolarHBondContact O-N 3.41Å; V191-V210 HydrophobicContact CB-CB 4.43Å; V191-V210 HydrophobicContact CG1-CB 4.13Å; V191-V210 HydrophobicContact CG1-CG1 4.33Å; V191-V210 HydrophobicContact CG2-CB 4.38Å; V191-V210 HydrophobicContact CG2-CG2 4.1Å; C192-V210 PolarHBondContact N-O 3Å; V210-Y227 CarbonylContact C-O 3.59Å; V210-Y227 WeakPolarHBondContact CA-O 3.48Å; V210-Y227 HydrophobicContact CG2-CD2 4.21Å; V210-Y227 HydrophobicContact CG2-CG 4.41Å; V210-Y247 HydrophobicContact CG1-CD2 3.61Å; V210-Y247 HydrophobicContact CG1-CE2 3.63Å; V210-F293 HydrophobicContact CG2-CB 4.11Å; V210-F293 HydrophobicContact CG2-CD1 3.99Å; V210-F293 HydrophobicContact CG2-CD2 3.45Å; V210-F293 VanDerWaalsContact CG2-CD2 3.45Å; V210-F293 HydrophobicContact CG2-CE1 4.34Å; V210-F293 HydrophobicContact CG2-CE2 3.85Å; V210-F293 HydrophobicContact CG2-CG 3.55Å; V210-F293 HydrophobicContact CG2-CZ 4.29Å
211V95.5Very high97.2Very high1 Ų131.1 Ų31.11%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-141.2137.3-166.1-660000112.3C192 V199 F209 L216 Y227 A228 H229C192-V211 HydrophobicContact CB-CG1 4.24Å; V199-V211 HydrophobicContact CG1-CG1 4.45Å; V199-V211 HydrophobicContact CG2-CB 4.39Å; F209-V211 HydrophobicContact CB-CG1 4.44Å; V211-L216 HydrophobicContact CG2-CD1 4.39Å; V211-Y227 PolarHBondContact N-O 3.01Å; V211-A228 CarbonylContact O-C 3.57Å; V211-A228 VanDerWaalsContact O-CA 3.22Å; V211-A228 WeakPolarHBondContact O-CA 3.28Å; V211-H229 PolarHBondContact O-N 3.38Å
212A94.5Very high97.2Very high0 Ų033.2 Ų33.20%016%0.155CC..EExtended strand (participates in β ladder)trans-116131.5166.800000109P194 V195 H229 Y247 F252 L257P194-A212 HydrophobicContact CB-CB 3.95Å; P194-A212 HydrophobicContact CG-CB 4.03Å; V195-A212 PolarHBondContact N-O 3.21Å; A212-H229 CarbonylContact C-O 3.54Å; A212-H229 WeakPolarHBondContact CA-O 3.36Å; A212-H229 HydrophobicContact CB-CB 3.73Å; A212-Y247 HydrophobicContact CB-CD1 4.08Å; A212-Y247 HydrophobicContact CB-CD2 4.43Å; A212-Y247 HydrophobicContact CB-CE1 4.03Å; A212-Y247 HydrophobicContact CB-CE2 4.39Å; A212-Y247 HydrophobicContact CB-CG 4.29Å; A212-F252 HydrophobicContact CB-CD1 4.48Å; A212-F252 HydrophobicContact CB-CE1 3.93Å; A212-L257 HydrophobicContact CB-CD1 4.12Å
213C94.5Very high97.2Very high0 Ų036.7 Ų36.70%017%0.173CC..EExtended strand (participates in β ladder)trans-159178.6-177.963.60000112.6V195 V199 Q215 H229 V230 T231V195-C213 HydrophobicContact CB-CB 4.27Å; V195-C213 WeakPolarHBondContact O-CA 3.45Å; V199-C213 HydrophobicContact CB-CB 4.47Å; V199-C213 HydrophobicContact CG2-CB 3.68Å; C213-Q215 PolarHBondContact SG-O 3.05Å; C213-H229 PolarHBondContact N-O 3.46Å; C213-V230 WeakPolarHBondContact O-CA 3.41Å; C213-T231 PolarHBondContact O-N 3.42Å; C213-T231 VanDerWaalsContact O-N 3.07Å
214Q93.4Very high97.2Very high72 Ų7233.8 Ų33.834%0.33616%0.157SC..EExtended strand (participates in β ladder)trans-84.6-43.9171.7-54.1179-4.400112.2A196 S197 V230 T231 T232 C233 L257A196-Q214 VanDerWaalsContact O-CD 3.27Å; A196-Q214 WeakPolarHBondContact O-CG 3.46Å; A196-Q214 PolarHBondContact O-NE2 3.44Å; S197-Q214 WeakPolarHBondContact O-CA 3.48Å; S197-Q214 WeakPolarHBondContact O-CB 3.29Å; S197-Q214 PolarHBondContact O-N 2.97Å; Q214-V230 WeakPolarHBondContact O-CG1 3.32Å; Q214-T231 WeakPolarHBondContact CA-OG1 3.42Å; Q214-T231 WeakPolarHBondContact CB-OG1 3.45Å; Q214-T232 WeakPolarHBondContact O-CA 3.43Å; Q214-T232 VanDerWaalsContact O-CB 3.22Å; Q214-T232 WeakPolarHBondContact O-CB 3.29Å; Q214-T232 PolarHBondContact O-N 2.89Å; Q214-C233 PolarHBondContact O-N 3.44Å; Q214-L257 HydrophobicContact CG-CD2 3.42Å; Q214-L257 VanDerWaalsContact CG-CD2 3.42Å
215Q95.6Very high97.2Very high65 Ų6536.8 Ų36.830%0.30417%0.17SC..EExtended strand (participates in β ladder)trans-127.9122.2-178.7-62.4179.329.200110.2S197 S198 V199 C213S197-Q215 PolarHBondContact O-N 3.4Å; S197-Q215 VanDerWaalsContact O-N 3.14Å; S198-Q215 VanDerWaalsContact CA-O 3.29Å; S198-Q215 WeakPolarHBondContact CA-O 3.32Å; V199-Q215 PolarHBondContact N-O 3.43Å; C213-Q215 PolarHBondContact SG-O 3.05Å
216L97.8Very high97.2Very high1 Ų133 Ų331%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-108.2120.117417860.9000108.7V199 V211 I218 F226 A228 V230 C233 G234 T235 M244V199-L216 HydrophobicContact CB-CD1 4Å; V199-L216 HydrophobicContact CG1-CD1 3.97Å; V211-L216 HydrophobicContact CG2-CD1 4.39Å; L216-I218 HydrophobicContact CD1-CG1 4.23Å; L216-I218 HydrophobicContact CD2-CD1 4.15Å; L216-I218 HydrophobicContact CG-CD1 4.21Å; L216-I218 HydrophobicContact CG-CG1 4.1Å; L216-F226 HydrophobicContact CD1-CD1 4.29Å; L216-F226 HydrophobicContact CD1-CE1 4.18Å; L216-F226 HydrophobicContact CD2-CD1 4.05Å; L216-A228 HydrophobicContact CD2-CB 4.08Å; L216-V230 HydrophobicContact CB-CG1 4.35Å; L216-V230 HydrophobicContact CB-CG2 3.83Å; L216-V230 HydrophobicContact CD2-CG2 4.07Å; L216-C233 PolarHBondContact N-O 2.97Å; L216-C233 VanDerWaalsContact N-O 3.1Å; L216-G234 CarbonylContact O-C 3.55Å; L216-G234 WeakPolarHBondContact O-CA 3.42Å; L216-T235 PolarHBondContact O-N 2.88Å; L216-M244 HydrophobicContact CD2-CE 3.84Å
217R98.1Very high97.1Very high129 Ų12928.5 Ų28.549%0.48714%0.136SC..EExtended strand (participates in β ladder)trans-122.8120178.4-61.2-175.2-168.6-178.33109.6V199 Y200 V201V199-R217 PolarHBondContact O-N 3.48Å; Y200-R217 WeakPolarHBondContact CA-O 3.47Å; Y200-R217 HydrophobicContact CD2-CB 3.94Å; V201-R217 PolarHBondContact N-O 2.97Å
218I98.4Very high96.9Very high4 Ų428.4 Ų28.42%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-118.7125.6-176.9-50.7164.5000107.9V201 L216 F226 T235 V236 E237 I242 M244V201-I218 CarbonylContact O-C 3.56Å; V201-I218 WeakPolarHBondContact O-CA 3.21Å; L216-I218 HydrophobicContact CD1-CG1 4.23Å; L216-I218 HydrophobicContact CD2-CD1 4.15Å; L216-I218 HydrophobicContact CG-CD1 4.21Å; L216-I218 HydrophobicContact CG-CG1 4.1Å; I218-F226 HydrophobicContact CB-CZ 4.42Å; I218-F226 HydrophobicContact CD1-CD1 4.06Å; I218-F226 HydrophobicContact CD1-CD2 3.85Å; I218-F226 HydrophobicContact CD1-CE1 3.74Å; I218-F226 HydrophobicContact CD1-CE2 3.52Å; I218-F226 HydrophobicContact CD1-CG 4.11Å; I218-F226 HydrophobicContact CD1-CZ 3.47Å; I218-F226 VanDerWaalsContact CD1-CZ 3.47Å; I218-F226 HydrophobicContact CG1-CE1 3.87Å; I218-F226 HydrophobicContact CG1-CE2 4.17Å; I218-F226 HydrophobicContact CG1-CZ 3.63Å; I218-F226 HydrophobicContact CG2-CE2 4.18Å; I218-F226 HydrophobicContact CG2-CZ 3.88Å; I218-T235 PolarHBondContact N-O 3.36Å; I218-V236 HydrophobicContact CB-CG1 4.09Å; I218-V236 HydrophobicContact CD1-CG1 3.93Å; I218-V236 CarbonylContact O-C 3.5Å; I218-V236 WeakPolarHBondContact O-CA 3.47Å; I218-E237 PolarHBondContact O-N 2.94Å; I218-I242 HydrophobicContact CD1-CG2 4.04Å; I218-I242 HydrophobicContact CG2-CD1 4.39Å; I218-M244 HydrophobicContact CD1-SD 4.5Å
219H97.8Very high96.7Very high44 Ų4427.9 Ų27.920%0.20413%0.132CC..EExtended strand (participates in β ladder)trans-133142.3-174.8-171.8-93.5000111.1Y200 V201 A202 N203 S221 E237Y200-H219 HydrophobicContact CE2-CB 4.18Å; V201-H219 PolarHBondContact O-N 3.39Å; A202-H219 VanDerWaalsContact CA-O 3.27Å; A202-H219 WeakPolarHBondContact CA-O 3.41Å; A202-H219 HydrophobicContact CB-CB 4.43Å; N203-H219 PolarHBondContact N-O 3.41Å; N203-H219 VanDerWaalsContact N-O 3.11Å; H219-S221 PolarHBondContact O-N 3.24Å; H219-S221 PolarHBondContact O-OG 3.43Å; H219-E237 CarbonylContact C-O 3.57Å; H219-E237 VanDerWaalsContact CA-O 3.28Å; H219-E237 WeakPolarHBondContact CA-O 3.31Å; H219-E237 IonicContact CD2-OE2 3.93Å; H219-E237 IonicContact NE2-OE2 3.31Å
220N97.3Very high96.5Very high71 Ų7127.9 Ų27.938%0.3813%0.132SC..SBendtrans47.238.2173.5-75.826.2000114.2N203 E237 N238N203-N220 VanDerWaalsContact CA-O 3.25Å; N203-N220 WeakPolarHBondContact CA-O 3.38Å; N203-N220 PolarHBondContact N-O 2.91Å; N203-N220 WeakPolarHBondContact OD1-CB 3.46Å; N220-E237 PolarHBondContact N-O 3.21Å; N220-N238 VanDerWaalsContact CA-O 3.28Å; N220-N238 WeakPolarHBondContact CA-O 3.21Å; N220-N238 WeakPolarHBondContact OD1-CB 3.35Å; N220-N238 PolarHBondContact OD1-ND2 3.44Å
221S97.7Very high96.3Very high1 Ų128.8 Ų28.81%0.00714%0.138CC..  trans-119.8145.6-172.6-61.50000111.3C204 H219 C239 S240C204-S221 PolarHBondContact N-OG 2.78Å; C204-S221 VanDerWaalsContact N-OG 3.13Å; C204-S221 CarbonylContact O-C 3.56Å; C204-S221 WeakPolarHBondContact O-CA 3.45Å; C204-S221 VanDerWaalsContact O-CB 3.27Å; C204-S221 WeakPolarHBondContact O-CB 3.44Å; H219-S221 PolarHBondContact O-N 3.24Å; H219-S221 PolarHBondContact O-OG 3.43Å; S221-C239 WeakPolarHBondContact O-CA 3.28Å; S221-C239 WeakPolarHBondContact O-CB 3.39Å; S221-S240 PolarHBondContact O-N 2.9Å; S221-S240 VanDerWaalsContact O-N 3.15Å
222T98Very high96Very high45 Ų4532.7 Ų32.728%0.27616%0.161SC..EExtended strand (participates in β ladder)trans-134140.9-176.1-169.40000112.4C204 E205 R206 C224 S240C204-T222 PolarHBondContact O-N 2.96Å; E205-T222 VanDerWaalsContact CA-O 3.31Å; E205-T222 WeakPolarHBondContact CA-O 3.47Å; E205-T222 HydrophobicContact CB-CG2 4.06Å; E205-T222 HydrophobicContact CG-CG2 3.71Å; R206-T222 PolarHBondContact N-O 3.17Å; T222-C224 PolarHBondContact O-N 2.79Å; T222-C224 PolarHBondContact O-SG 2.95Å; T222-S240 CarbonylContact C-O 3.57Å; T222-S240 VanDerWaalsContact CA-O 3.27Å; T222-S240 WeakPolarHBondContact CA-O 3.31Å; T222-S240 WeakPolarHBondContact CB-OG 3.41Å; T222-S240 PolarHBondContact OG1-OG 2.65Å
223N97.9Very high95.8Very high75 Ų7533.9 Ų33.940%0.40117%0.17SC..EExtended strand (participates in β ladder)trans53.352177.7-167.413.2000112.3R206 S240 M241R206-N223 WeakPolarHBondContact CA-O 3.32Å; R206-N223 HydrophobicContact CG-CB 4.38Å; R206-N223 PolarHBondContact N-O 3.01Å; N223-S240 PolarHBondContact N-O 3.16Å; N223-M241 VanDerWaalsContact CA-O 3.31Å; N223-M241 WeakPolarHBondContact CA-O 3.34Å; N223-M241 HydrophobicContact CB-CB 4.41Å
224C98.5Very high95.8Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-115.7139.7-179.2-72.60000110.4C204 C207 F209 T222 F226 M241 I242 G243C204-C224 PolarHBondContact O-SG 3.29Å; C207-C224 CarbonylContact O-C 3.42Å; C207-C224 WeakPolarHBondContact O-CA 3.36Å; F209-C224 HydrophobicContact CE2-CB 4.25Å; T222-C224 PolarHBondContact O-N 2.79Å; T222-C224 PolarHBondContact O-SG 2.95Å; C224-F226 HydrophobicContact CB-CD2 4.4Å; C224-F226 HydrophobicContact CB-CE2 3.66Å; C224-F226 HydrophobicContact CB-CZ 4.41Å; C224-M241 PolarHBondContact N-O 3.41Å; C224-I242 HydrophobicContact CB-CD1 4Å; C224-I242 CarbonylContact O-C 3.52Å; C224-I242 WeakPolarHBondContact O-CA 3.48Å; C224-G243 PolarHBondContact O-N 3.47Å
225K98.2Very high95.9Very high64 Ų6431.3 Ų31.328%0.27816%0.159SC..EExtended strand (participates in β ladder)trans-104.7137.1175.2-60.4-177.5-170.3179.30110.2C207 T208 F209 Y227 G243 I285 E291C207-K225 PolarHBondContact O-N 3.35Å; T208-K225 CarbonylContact C-O 3.54Å; T208-K225 WeakPolarHBondContact CA-O 3.41Å; T208-K225 HydrophobicContact CG2-CB 4.24Å; F209-K225 PolarHBondContact N-O 3.17Å; K225-Y227 HydrophobicContact CB-CE2 4.32Å; K225-G243 CarbonylContact C-O 3.58Å; K225-G243 WeakPolarHBondContact CA-O 3.36Å; K225-I285 HydrophobicContact CB-CD1 3.91Å; K225-I285 HydrophobicContact CD-CD1 4.19Å; K225-I285 HydrophobicContact CG-CD1 3.98Å; K225-E291 IonicContact NZ-OE1 3.38Å; K225-E291 PolarHBondContact NZ-OE1 2.85Å
226F98Very high95.9Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-125.7116.2178.6-70.3-98.1000109.7V201 F209 L216 I218 C224 A228 I242 G243 M244 A245V201-F226 HydrophobicContact CB-CE1 4.4Å; V201-F226 HydrophobicContact CB-CZ 4.29Å; V201-F226 HydrophobicContact CG1-CZ 4.16Å; V201-F226 HydrophobicContact CG2-CE1 3.86Å; V201-F226 HydrophobicContact CG2-CZ 4.23Å; F209-F226 HydrophobicContact CB-CD1 3.68Å; F209-F226 HydrophobicContact CB-CE1 3.82Å; F209-F226 HydrophobicContact CB-CG 4.38Å; F209-F226 AromaticContact CD2-CD1 4Å; F209-F226 HydrophobicContact CD2-CD1 4Å; F209-F226 HydrophobicContact CD2-CD2 4.44Å; F209-F226 AromaticContact CD2-CE1 3.44Å; F209-F226 HydrophobicContact CD2-CE1 3.44Å; F209-F226 VanDerWaalsContact CD2-CE1 3.44Å; F209-F226 AromaticContact CD2-CE2 3.94Å; F209-F226 HydrophobicContact CD2-CE2 3.94Å; F209-F226 HydrophobicContact CD2-CG 4.46Å; F209-F226 AromaticContact CD2-CZ 3.4Å; F209-F226 HydrophobicContact CD2-CZ 3.4Å; F209-F226 VanDerWaalsContact CD2-CZ 3.4Å; F209-F226 HydrophobicContact CE2-CE1 4.21Å; F209-F226 HydrophobicContact CE2-CE2 4.4Å; F209-F226 AromaticContact CE2-CZ 3.82Å; F209-F226 HydrophobicContact CE2-CZ 3.82Å; F209-F226 HydrophobicContact CG-CD1 4.15Å; F209-F226 AromaticContact CG-CE1 3.77Å; F209-F226 HydrophobicContact CG-CE1 3.77Å; F209-F226 HydrophobicContact CG-CZ 4.2Å; F209-F226 CarbonylContact O-C 3.57Å; F209-F226 WeakPolarHBondContact O-CA 3.41Å; L216-F226 HydrophobicContact CD1-CD1 4.29Å; L216-F226 HydrophobicContact CD1-CE1 4.18Å; L216-F226 HydrophobicContact CD2-CD1 4.05Å; I218-F226 HydrophobicContact CB-CZ 4.42Å; I218-F226 HydrophobicContact CD1-CD1 4.06Å; I218-F226 HydrophobicContact CD1-CD2 3.85Å; I218-F226 HydrophobicContact CD1-CE1 3.74Å; I218-F226 HydrophobicContact CD1-CE2 3.52Å; I218-F226 HydrophobicContact CD1-CG 4.11Å; I218-F226 HydrophobicContact CD1-CZ 3.47Å; I218-F226 VanDerWaalsContact CD1-CZ 3.47Å; I218-F226 HydrophobicContact CG1-CE1 3.87Å; I218-F226 HydrophobicContact CG1-CE2 4.17Å; I218-F226 HydrophobicContact CG1-CZ 3.63Å; I218-F226 HydrophobicContact CG2-CE2 4.18Å; I218-F226 HydrophobicContact CG2-CZ 3.88Å; C224-F226 HydrophobicContact CB-CD2 4.4Å; C224-F226 HydrophobicContact CB-CE2 3.66Å; C224-F226 HydrophobicContact CB-CZ 4.41Å; F226-A228 HydrophobicContact CB-CB 4.43Å; F226-I242 HydrophobicContact CD2-CG2 3.77Å; F226-I242 HydrophobicContact CE2-CD1 4.48Å; F226-I242 HydrophobicContact CE2-CG2 3.91Å; F226-G243 PolarHBondContact N-O 3.1Å; F226-M244 HydrophobicContact CB-CE 4.24Å; F226-M244 HydrophobicContact CB-SD 3.63Å; F226-M244 HydrophobicContact CD2-SD 4.21Å; F226-M244 HydrophobicContact CG-SD 4.11Å; F226-M244 CarbonylContact O-C 3.56Å; F226-M244 WeakPolarHBondContact O-CA 3.41Å; F226-A245 PolarHBondContact O-N 3.36Å
227Y96.2Very high95.9Very high6 Ų631.4 Ų31.42%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-94.295.4165.6-64.9-99.6000106.2T208 F209 V210 V211 K225 A245 R290 E291 F293T208-Y227 HydrophobicContact CG2-CD2 3.92Å; T208-Y227 HydrophobicContact CG2-CE2 3.8Å; F209-Y227 PolarHBondContact O-N 3.3Å; V210-Y227 CarbonylContact C-O 3.59Å; V210-Y227 WeakPolarHBondContact CA-O 3.48Å; V210-Y227 HydrophobicContact CG2-CD2 4.21Å; V210-Y227 HydrophobicContact CG2-CG 4.41Å; V211-Y227 PolarHBondContact N-O 3.01Å; K225-Y227 HydrophobicContact CB-CE2 4.32Å; Y227-A245 CarbonylContact C-O 3.58Å; Y227-A245 WeakPolarHBondContact CA-O 3.29Å; Y227-A245 HydrophobicContact CD1-CB 3.61Å; Y227-A245 HydrophobicContact CE1-CB 3.73Å; Y227-A245 HydrophobicContact CG-CB 4.19Å; Y227-R290 HydrophobicContact CE1-CB 4.11Å; Y227-R290 HydrophobicContact CE1-CG 4.29Å; Y227-E291 WeakPolarHBondContact CE1-O 3.41Å; Y227-E291 PolarHBondContact OH-N 3.19Å; Y227-F293 HydrophobicContact CD1-CE2 4.3Å; Y227-F293 HydrophobicContact CD2-CD2 4.31Å; Y227-F293 AromaticContact CD2-CE2 3.59Å; Y227-F293 HydrophobicContact CD2-CE2 3.59Å; Y227-F293 HydrophobicContact CD2-CZ 4.32Å; Y227-F293 HydrophobicContact CE1-CE2 4.13Å; Y227-F293 HydrophobicContact CE2-CD2 4.47Å; Y227-F293 AromaticContact CE2-CE2 3.41Å; Y227-F293 HydrophobicContact CE2-CE2 3.41Å; Y227-F293 VanDerWaalsContact CE2-CE2 3.41Å; Y227-F293 AromaticContact CE2-CZ 3.94Å; Y227-F293 HydrophobicContact CE2-CZ 3.94Å; Y227-F293 HydrophobicContact CG-CD2 4.41Å; Y227-F293 HydrophobicContact CG-CE2 4.06Å; Y227-F293 AromaticContact CZ-CE2 3.7Å
228A95.4Very high95.7Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-117.4143.3-161.700000113.1V211 L216 F226 V230 M244 A245 Y247 W264V211-A228 CarbonylContact O-C 3.57Å; V211-A228 VanDerWaalsContact O-CA 3.22Å; V211-A228 WeakPolarHBondContact O-CA 3.28Å; L216-A228 HydrophobicContact CD2-CB 4.08Å; F226-A228 HydrophobicContact CB-CB 4.43Å; A228-V230 HydrophobicContact CB-CG2 4.1Å; A228-M244 HydrophobicContact CB-CE 4.18Å; A228-A245 PolarHBondContact N-O 3.44Å; A228-Y247 PolarHBondContact O-N 2.91Å; A228-W264 HydrophobicContact CB-CB 4.24Å; A228-W264 WeakPolarHBondContact O-CB 3.47Å
229H94.2Very high95.6Very high4 Ų429.4 Ų29.42%0.01916%0.159CC..EExtended strand (participates in β ladder)trans-116.9126.5154.2-178.1111.6000107.7V211 A212 C213 F252 K258 M259 V261 N262V211-H229 PolarHBondContact O-N 3.38Å; A212-H229 CarbonylContact C-O 3.54Å; A212-H229 WeakPolarHBondContact CA-O 3.36Å; A212-H229 HydrophobicContact CB-CB 3.73Å; C213-H229 PolarHBondContact N-O 3.46Å; H229-F252 HydrophobicContact CB-CE1 3.98Å; H229-F252 AromaticContact CG-CE1 3.66Å; H229-F252 AromaticContact ND1-CE1 3.58Å; H229-F252 AromaticContact ND1-CZ 3.89Å; H229-K258 PolarHBondContact NE2-O 3.39Å; H229-M259 PolarHBondContact CE1-O 3.05Å; H229-V261 PolarHBondContact CE1-O 2.91Å; H229-V261 PolarHBondContact NE2-O 3.39Å; H229-N262 WeakPolarHBondContact CA-OD1 3.29Å; H229-N262 VanDerWaalsContact CE1-CB 3.5Å; H229-N262 WeakPolarHBondContact CE1-CB 3.21Å; H229-N262 PolarHBondContact ND1-ND2 2.95Å
230V93.3Very high95.5Very high0 Ų029.8 Ų29.80%017%0.167CC..EExtended strand (participates in β ladder)trans-132112.4-177.8-1710000110C213 Q214 L216 A228 C233 N262 N263C213-V230 WeakPolarHBondContact O-CA 3.41Å; Q214-V230 WeakPolarHBondContact O-CG1 3.32Å; L216-V230 HydrophobicContact CB-CG1 4.35Å; L216-V230 HydrophobicContact CB-CG2 3.83Å; L216-V230 HydrophobicContact CD2-CG2 4.07Å; A228-V230 HydrophobicContact CB-CG2 4.1Å; V230-C233 VanDerWaalsContact CG1-O 3.29Å; V230-C233 WeakPolarHBondContact CG1-O 3.49Å; V230-N262 PolarHBondContact N-OD1 3.46Å; V230-N262 VanDerWaalsContact N-OD1 3.1Å; V230-N263 PolarHBondContact O-N 3.2Å
231T91.8Very high95.5Very high23 Ų2332 Ų3214%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-75.3-29.2-175.9680000113.5C213 Q214 L257 V261 N263C213-T231 PolarHBondContact O-N 3.42Å; C213-T231 VanDerWaalsContact O-N 3.07Å; Q214-T231 WeakPolarHBondContact CA-OG1 3.42Å; Q214-T231 WeakPolarHBondContact CB-OG1 3.45Å; T231-L257 HydrophobicContact CG2-CB 4.32Å; T231-L257 HydrophobicContact CG2-CD2 4.07Å; T231-V261 WeakPolarHBondContact CA-O 3.38Å; T231-V261 WeakPolarHBondContact O-CG1 3.41Å; T231-N263 PolarHBondContact O-ND2 3.44Å
232T90.1Very high95.5Very high82 Ų8231.9 Ų31.950%0.50318%0.176SC..EExtended strand (participates in β ladder)trans-114.8-66.7-171.4-52.20000111.2Q214 N263Q214-T232 WeakPolarHBondContact O-CA 3.43Å; Q214-T232 VanDerWaalsContact O-CB 3.22Å; Q214-T232 WeakPolarHBondContact O-CB 3.29Å; Q214-T232 PolarHBondContact O-N 2.89Å; T232-N263 PolarHBondContact O-ND2 2.94Å; T232-N263 VanDerWaalsContact O-ND2 3.12Å
233C89.7Confident95.5Very high26 Ų2629.8 Ų29.818%0.17616%0.163CC..EExtended strand (participates in β ladder)trans-157.7131.9-172.6-169.30000111.6Q214 L216 V230Q214-C233 PolarHBondContact O-N 3.44Å; L216-C233 PolarHBondContact N-O 2.97Å; L216-C233 VanDerWaalsContact N-O 3.1Å; V230-C233 VanDerWaalsContact CG1-O 3.29Å; V230-C233 WeakPolarHBondContact CG1-O 3.49Å
234G94.1Very high95.4Very high1 Ų126.2 Ų26.21%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-94.2139161.100000109.8L216 K268L216-G234 CarbonylContact O-C 3.55Å; L216-G234 WeakPolarHBondContact O-CA 3.42Å; G234-K268 PolarHBondContact O-N 3.44Å
235T95.9Very high95.3Very high17 Ų1726.2 Ų26.210%0.10414%0.144CC..EExtended strand (participates in β ladder)trans-133.7139.5174.966.40000110.8L216 I218 K268 F270L216-T235 PolarHBondContact O-N 2.88Å; I218-T235 PolarHBondContact N-O 3.36Å; T235-K268 CarbonylContact C-O 3.59Å; T235-K268 VanDerWaalsContact CA-O 3.28Å; T235-K268 WeakPolarHBondContact CA-O 3.27Å; T235-K268 HydrophobicContact CG2-CB 4.38Å; T235-F270 HydrophobicContact CG2-CE1 4.23Å; T235-F270 HydrophobicContact CG2-CE2 3.84Å; T235-F270 HydrophobicContact CG2-CZ 3.51Å
236V96.4Very high95.1Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-120.3142.2170.5-650000109.8I218 C239 I242 V267 K268 D269 F270I218-V236 HydrophobicContact CB-CG1 4.09Å; I218-V236 HydrophobicContact CD1-CG1 3.93Å; I218-V236 CarbonylContact O-C 3.5Å; I218-V236 WeakPolarHBondContact O-CA 3.47Å; V236-C239 HydrophobicContact CB-CB 4.25Å; V236-I242 HydrophobicContact CG1-CG1 4.44Å; V236-I242 HydrophobicContact CG1-CG2 4.32Å; V236-V267 HydrophobicContact CB-CG1 4.41Å; V236-V267 HydrophobicContact CG1-CG1 3.67Å; V236-V267 HydrophobicContact CG2-CG1 4.18Å; V236-K268 PolarHBondContact N-O 3.32Å; V236-D269 HydrophobicContact CG2-CB 3.8Å; V236-F270 PolarHBondContact O-N 3.14Å
237E96.2Very high94.7Very high67 Ų6725 Ų2531%0.31314%0.141SC..EExtended strand (participates in β ladder)trans-148.1133.3175.2-175.9-176.6177.800109.7I218 H219 N220 C239 F270 N271I218-E237 PolarHBondContact O-N 2.94Å; H219-E237 CarbonylContact C-O 3.57Å; H219-E237 VanDerWaalsContact CA-O 3.28Å; H219-E237 WeakPolarHBondContact CA-O 3.31Å; H219-E237 IonicContact CD2-OE2 3.93Å; H219-E237 IonicContact NE2-OE2 3.31Å; N220-E237 PolarHBondContact N-O 3.21Å; E237-C239 PolarHBondContact O-N 3.14Å; E237-C239 PolarHBondContact O-SG 2.97Å; E237-F270 HydrophobicContact CB-CB 4.18Å; E237-F270 HydrophobicContact CB-CD2 4.42Å; E237-F270 HydrophobicContact CG-CB 4.22Å; E237-N271 VanDerWaalsContact CA-OD1 3.26Å; E237-N271 WeakPolarHBondContact CA-OD1 3.01Å; E237-N271 WeakPolarHBondContact CG-OD1 3.33Å
238N95.2Very high94Very high80 Ų8031.1 Ų31.143%0.42817%0.17SC..SBendtrans53.338.8-176.8-60.9-41.5000112.3N220 N271N220-N238 VanDerWaalsContact CA-O 3.28Å; N220-N238 WeakPolarHBondContact CA-O 3.21Å; N220-N238 WeakPolarHBondContact OD1-CB 3.35Å; N220-N238 PolarHBondContact OD1-ND2 3.44Å; N238-N271 VanDerWaalsContact N-CG 3.35Å; N238-N271 PolarHBondContact N-ND2 3.2Å; N238-N271 PolarHBondContact N-OD1 3.05Å; N238-N271 PolarHBondContact OD1-ND2 3.08Å
239C96.3Very high92.9Very high12 Ų1232.7 Ų32.78%0.08118%0.176CC..  trans-110.6160.9-176.4-68.50000112S221 V236 E237 I242 S281S221-C239 WeakPolarHBondContact O-CA 3.28Å; S221-C239 WeakPolarHBondContact O-CB 3.39Å; V236-C239 HydrophobicContact CB-CB 4.25Å; E237-C239 PolarHBondContact O-N 3.14Å; E237-C239 PolarHBondContact O-SG 2.97Å; C239-I242 HydrophobicContact CB-CD1 4.03Å; C239-I242 HydrophobicContact CB-CG1 3.61Å; C239-S281 WeakPolarHBondContact O-CB 3.44Å; C239-S281 PolarHBondContact O-OG 3.38Å
240S95.3Very high91.4Very high51 Ų5140.3 Ų40.336%0.35721%0.212SC..EExtended strand (participates in β ladder)trans-147.8146171.250.80000110.7S221 T222 N223 I242 S281S221-S240 PolarHBondContact O-N 2.9Å; S221-S240 VanDerWaalsContact O-N 3.15Å; T222-S240 CarbonylContact C-O 3.57Å; T222-S240 VanDerWaalsContact CA-O 3.27Å; T222-S240 WeakPolarHBondContact CA-O 3.31Å; T222-S240 WeakPolarHBondContact CB-OG 3.41Å; T222-S240 PolarHBondContact OG1-OG 2.65Å; N223-S240 PolarHBondContact N-O 3.16Å; S240-I242 PolarHBondContact O-N 3.46Å; S240-S281 CarbonylContact C-O 3.49Å
241M96.3Very high89.9Confident117 Ų11745 Ų4558%0.57623%0.23SC*.EExtended strand (participates in β ladder)trans54.847.2179.4-54.6-179.7-172.200113.4N223 C224 S281N223-M241 VanDerWaalsContact CA-O 3.31Å; N223-M241 WeakPolarHBondContact CA-O 3.34Å; N223-M241 HydrophobicContact CB-CB 4.41Å; C224-M241 PolarHBondContact N-O 3.41Å; M241-S281 PolarHBondContact N-O 2.86Å
242I98.1Very high88.8Confident0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-87.9109.3174.6-55.5-56.8000109.7I218 C224 F226 V236 C239 S240 M244 S281 W282 F283I218-I242 HydrophobicContact CD1-CG2 4.04Å; I218-I242 HydrophobicContact CG2-CD1 4.39Å; C224-I242 HydrophobicContact CB-CD1 4Å; C224-I242 CarbonylContact O-C 3.52Å; C224-I242 WeakPolarHBondContact O-CA 3.48Å; F226-I242 HydrophobicContact CD2-CG2 3.77Å; F226-I242 HydrophobicContact CE2-CD1 4.48Å; F226-I242 HydrophobicContact CE2-CG2 3.91Å; V236-I242 HydrophobicContact CG1-CG1 4.44Å; V236-I242 HydrophobicContact CG1-CG2 4.32Å; C239-I242 HydrophobicContact CB-CD1 4.03Å; C239-I242 HydrophobicContact CB-CG1 3.61Å; S240-I242 PolarHBondContact O-N 3.46Å; I242-M244 HydrophobicContact CG2-SD 3.96Å; I242-S281 WeakPolarHBondContact CB-O 3.41Å; I242-S281 PolarHBondContact N-O 3.34Å; I242-W282 HydrophobicContact CB-CB 3.75Å; I242-W282 HydrophobicContact CG2-CB 4.24Å; I242-W282 CarbonylContact O-C 3.58Å; I242-W282 WeakPolarHBondContact O-CA 3.22Å; I242-W282 VanDerWaalsContact O-CB 3.25Å; I242-W282 WeakPolarHBondContact O-CB 3.5Å; I242-F283 PolarHBondContact O-N 2.92Å
243G97.6Very high87.8Confident1 Ų149.6 Ų49.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-85.7131174.800000111.2C224 K225 F226 F283C224-G243 PolarHBondContact O-N 3.47Å; K225-G243 CarbonylContact C-O 3.58Å; K225-G243 WeakPolarHBondContact CA-O 3.36Å; F226-G243 PolarHBondContact N-O 3.1Å; G243-F283 CarbonylContact C-O 3.56Å; G243-F283 WeakPolarHBondContact CA-O 3.43Å
244M97.5Very high86.8Confident0 Ų054.7 Ų54.70%027%0.265CS..EExtended strand (participates in β ladder)trans-113.6137.1174.7-56.7-63.1-77.600110.6L216 I218 F226 A228 I242 W264 V267 W282 F283 I284 I285L216-M244 HydrophobicContact CD2-CE 3.84Å; I218-M244 HydrophobicContact CD1-SD 4.5Å; F226-M244 HydrophobicContact CB-CE 4.24Å; F226-M244 HydrophobicContact CB-SD 3.63Å; F226-M244 HydrophobicContact CD2-SD 4.21Å; F226-M244 HydrophobicContact CG-SD 4.11Å; F226-M244 CarbonylContact O-C 3.56Å; F226-M244 WeakPolarHBondContact O-CA 3.41Å; A228-M244 HydrophobicContact CB-CE 4.18Å; I242-M244 HydrophobicContact CG2-SD 3.96Å; M244-W264 HydrophobicContact CB-CE3 4.1Å; M244-W264 HydrophobicContact CB-CZ3 4.3Å; M244-W264 WeakPolarHBondContact CE-O 3.07Å; M244-W264 WeakPolarHBondContact O-CZ3 3.35Å; M244-V267 HydrophobicContact CE-CG2 3.49Å; M244-V267 VanDerWaalsContact CE-CG2 3.49Å; M244-V267 HydrophobicContact CG-CG2 4.03Å; M244-V267 HydrophobicContact SD-CG2 4.27Å; M244-W282 HydrophobicContact CB-CE3 4.46Å; M244-W282 HydrophobicContact CG-CE3 3.91Å; M244-W282 HydrophobicContact CG-CZ3 4.49Å; M244-F283 PolarHBondContact N-O 3.07Å; M244-I284 WeakPolarHBondContact O-CA 3.27Å; M244-I285 PolarHBondContact O-N 3.31Å
245A95.9Very high85.5Confident0 Ų054.9 Ų54.90%027%0.266CS..EExtended strand (participates in β ladder)trans-142.1157.6175.300000109.6F226 Y227 A228 W264 I285 R290F226-A245 PolarHBondContact O-N 3.36Å; Y227-A245 CarbonylContact C-O 3.58Å; Y227-A245 WeakPolarHBondContact CA-O 3.29Å; Y227-A245 HydrophobicContact CD1-CB 3.61Å; Y227-A245 HydrophobicContact CE1-CB 3.73Å; Y227-A245 HydrophobicContact CG-CB 4.19Å; A228-A245 PolarHBondContact N-O 3.44Å; A245-W264 VanDerWaalsContact C-CE3 3.44Å; A245-I285 HydrophobicContact CB-CB 4.27Å; A245-I285 HydrophobicContact CB-CD1 4.1Å; A245-R290 HydrophobicContact CB-CG 4.42Å
246P93.6Very high84.5Confident26 Ų2656.9 Ų56.917%0.16929%0.291CS..EExtended strand (participates in β ladder)trans-68.5145.2175.828.4-33.3000111.4W264P246-W264 HydrophobicContact CB-CD2 4.24Å; P246-W264 HydrophobicContact CB-CG 4.49Å; P246-W264 HydrophobicContact CB-CZ2 4.22Å; P246-W264 HydrophobicContact CG-CZ2 4.19Å
247Y90.7Very high83.5Confident12 Ų1257.5 Ų57.55%0.04729%0.294CS..  trans-80.7121.3168179.3-86.4000109.8C192 V210 A212 A228 K249 F252C192-Y247 PolarHBondContact O-OH 3.32Å; C192-Y247 VanDerWaalsContact O-OH 3.1Å; V210-Y247 HydrophobicContact CG1-CD2 3.61Å; V210-Y247 HydrophobicContact CG1-CE2 3.63Å; A212-Y247 HydrophobicContact CB-CD1 4.08Å; A212-Y247 HydrophobicContact CB-CD2 4.43Å; A212-Y247 HydrophobicContact CB-CE1 4.03Å; A212-Y247 HydrophobicContact CB-CE2 4.39Å; A212-Y247 HydrophobicContact CB-CG 4.29Å; A228-Y247 PolarHBondContact O-N 2.91Å; Y247-K249 HydrophobicContact CD1-CB 4.25Å; Y247-K249 HydrophobicContact CE1-CB 3.48Å; Y247-K249 VanDerWaalsContact CE1-CB 3.48Å; Y247-K249 HydrophobicContact CE1-CG 4.24Å; Y247-K249 VanDerWaalsContact CE1-O 3.23Å; Y247-K249 WeakPolarHBondContact CE1-O 2.99Å; Y247-F252 HydrophobicContact CD1-CE1 4.28Å; Y247-F252 AromaticContact CD1-CZ 3.86Å; Y247-F252 HydrophobicContact CD1-CZ 3.86Å; Y247-F252 HydrophobicContact CE1-CE1 4.41Å; Y247-F252 HydrophobicContact CE1-CZ 4.08Å
248E81.2Confident82.6Confident135 Ų13561.8 Ų61.863%0.63131%0.312SS*.  trans-93.8-1.3-170.9-61.7-176.5165.200114.5
249K70.6Confident81.5Confident32 Ų3263.5 Ų63.514%0.13932%0.318CS..  trans-98.2163.3-168.5-48.7-174.4175.2-175.20115.3V191 Y247 F252 F293 D294 L295V191-K249 VanDerWaalsContact CG1-NZ 3.34Å; Y247-K249 HydrophobicContact CD1-CB 4.25Å; Y247-K249 HydrophobicContact CE1-CB 3.48Å; Y247-K249 VanDerWaalsContact CE1-CB 3.48Å; Y247-K249 HydrophobicContact CE1-CG 4.24Å; Y247-K249 VanDerWaalsContact CE1-O 3.23Å; Y247-K249 WeakPolarHBondContact CE1-O 2.99Å; K249-F252 WeakPolarHBondContact O-CE2 3.3Å; K249-F252 VanDerWaalsContact O-CZ 3.25Å; K249-F252 WeakPolarHBondContact O-CZ 3.48Å; K249-F293 WeakPolarHBondContact CE-O 3.42Å; K249-F293 VanDerWaalsContact NZ-C 3.32Å; K249-F293 PolarHBondContact NZ-O 3.19Å; K249-D294 PolarHBondContact NZ-O 3.11Å; K249-L295 HydrophobicContact CD-CB 4.21Å; K249-L295 HydrophobicContact CD-CD1 3.53Å; K249-L295 HydrophobicContact CD-CG 3.75Å
250E63.7Low80.5Confident164 Ų16471.3 Ų71.377%0.76635%0.353SS*.  trans-96.4175.3-179.3-58.2176.5173.800111.8
251R61.3Low79.9Confident100 Ų10071.8 Ų71.838%0.37735%0.354SS..  trans91.723.7-168.7-52.7-170.7-173163.99.2117.8E253 D296R251-E253 VanDerWaalsContact C-N 3.32Å; R251-E253 PolarHBondContact O-N 2.91Å; R251-D296 IonicContact NH2-OD1 3.02Å
252F69.1Low79.6Confident17 Ų1768.4 Ų68.48%0.07534%0.338CS..THydrogen-bonded Turntrans-61.6-34.9175.3-63.9-80.5000114.3P194 A212 H229 Y247 K249 Q254 A255 G256 L257 M259P194-F252 HydrophobicContact CG-CD1 4.39Å; A212-F252 HydrophobicContact CB-CD1 4.48Å; A212-F252 HydrophobicContact CB-CE1 3.93Å; H229-F252 HydrophobicContact CB-CE1 3.98Å; H229-F252 AromaticContact CG-CE1 3.66Å; H229-F252 AromaticContact ND1-CE1 3.58Å; H229-F252 AromaticContact ND1-CZ 3.89Å; Y247-F252 HydrophobicContact CD1-CE1 4.28Å; Y247-F252 AromaticContact CD1-CZ 3.86Å; Y247-F252 HydrophobicContact CD1-CZ 3.86Å; Y247-F252 HydrophobicContact CE1-CE1 4.41Å; Y247-F252 HydrophobicContact CE1-CZ 4.08Å; K249-F252 WeakPolarHBondContact O-CE2 3.3Å; K249-F252 VanDerWaalsContact O-CZ 3.25Å; K249-F252 WeakPolarHBondContact O-CZ 3.48Å; F252-Q254 PolarHBondContact O-N 3.01Å; F252-A255 PolarHBondContact O-N 3.26Å; F252-G256 PolarHBondContact O-N 2.66Å; F252-L257 HydrophobicContact CB-CB 4.47Å; F252-L257 HydrophobicContact CD1-CB 4.23Å; F252-L257 HydrophobicContact CD1-CD1 4.46Å; F252-L257 PolarHBondContact O-N 3.44Å; F252-M259 HydrophobicContact CD2-CB 4.17Å; F252-M259 HydrophobicContact CD2-CG 3.86Å; F252-M259 HydrophobicContact CD2-SD 3.52Å; F252-M259 VanDerWaalsContact CD2-SD 3.52Å; F252-M259 HydrophobicContact CE2-CG 3.83Å; F252-M259 HydrophobicContact CE2-SD 3.6Å; F252-M259 HydrophobicContact CG-CB 4.31Å; F252-M259 HydrophobicContact CG-CG 4.42Å; F252-M259 HydrophobicContact CZ-CG 4.4Å
253E69.5Low79.3Confident184 Ų18470.7 Ų70.786%0.8635%0.351SS*.G310 helixtrans-61.8-42.1-173.8-64.5-176.617000112.7R251 A255 G256R251-E253 VanDerWaalsContact C-N 3.32Å; R251-E253 PolarHBondContact O-N 2.91Å; E253-A255 PolarHBondContact O-N 2.75Å; E253-G256 PolarHBondContact O-N 3.32Å
254Q67.7Low79.1Confident132 Ų13272.4 Ų72.462%0.61736%0.357SS*.G310 helixtrans-65.4-24.9-179.5-65.2178.89.100112.7V176 F252V176-Q254 HydrophobicContact CG2-CB 3.88Å; F252-Q254 PolarHBondContact O-N 3.01Å
255A68.4Low78.9Confident5 Ų576.2 Ų76.24%0.04138%0.377CS..G310 helixtrans-93.2-2.3176.700000113.6V176 P194 F252 E253 L257V176-A255 HydrophobicContact CG1-CB 3.81Å; V176-A255 HydrophobicContact CG2-CB 4.42Å; P194-A255 HydrophobicContact CB-CB 3.59Å; F252-A255 PolarHBondContact O-N 3.26Å; E253-A255 PolarHBondContact O-N 2.75Å; A255-L257 HydrophobicContact CB-CD1 4.42Å; A255-L257 HydrophobicContact CB-CG 4.07Å; A255-L257 PolarHBondContact O-N 3.02Å
256G74.8Confident78.7Confident60 Ų6080.8 Ų80.862%0.61940%0.402SS*.THydrogen-bonded Turntrans66.820.8-176.500000114F252 E253F252-G256 PolarHBondContact O-N 2.66Å; E253-G256 PolarHBondContact O-N 3.32Å
257L75.2Confident78.7Confident12 Ų1280 Ų806%0.06340%0.396CS..  trans-86.7140.3178.1-61.5-176.5000110.8P194 A212 Q214 T231 F252 A255P194-L257 HydrophobicContact CB-CD1 3.94Å; A212-L257 HydrophobicContact CB-CD1 4.12Å; Q214-L257 HydrophobicContact CG-CD2 3.42Å; Q214-L257 VanDerWaalsContact CG-CD2 3.42Å; T231-L257 HydrophobicContact CG2-CB 4.32Å; T231-L257 HydrophobicContact CG2-CD2 4.07Å; F252-L257 HydrophobicContact CB-CB 4.47Å; F252-L257 HydrophobicContact CD1-CB 4.23Å; F252-L257 HydrophobicContact CD1-CD1 4.46Å; F252-L257 PolarHBondContact O-N 3.44Å; A255-L257 HydrophobicContact CB-CD1 4.42Å; A255-L257 HydrophobicContact CB-CG 4.07Å; A255-L257 PolarHBondContact O-N 3.02Å
258K76Confident78.9Confident158 Ų15884.6 Ų84.669%0.68742%0.417SS*.  trans-85.9111.9173.5-65.4-177-178.3-179.70109.7H229 Q260 V261H229-K258 PolarHBondContact NE2-O 3.39Å; K258-Q260 PolarHBondContact O-N 2.9Å; K258-V261 PolarHBondContact O-N 3.16Å
259M72.5Confident79.5Confident115 Ų11578.8 Ų78.857%0.56739%0.39SS*.THydrogen-bonded Turntrans-61.4-27.4179.3-168.7164.871.300113.3H229 F252 V261H229-M259 PolarHBondContact CE1-O 3.05Å; F252-M259 HydrophobicContact CD2-CB 4.17Å; F252-M259 HydrophobicContact CD2-CG 3.86Å; F252-M259 HydrophobicContact CD2-SD 3.52Å; F252-M259 VanDerWaalsContact CD2-SD 3.52Å; F252-M259 HydrophobicContact CE2-CG 3.83Å; F252-M259 HydrophobicContact CE2-SD 3.6Å; F252-M259 HydrophobicContact CG-CB 4.31Å; F252-M259 HydrophobicContact CG-CG 4.42Å; F252-M259 HydrophobicContact CZ-CG 4.4Å; M259-V261 VanDerWaalsContact C-N 3.29Å; M259-V261 PolarHBondContact O-N 3.22Å
260Q75.4Confident80.5Confident176 Ų17682.6 Ų82.682%0.82241%0.406SS*.THydrogen-bonded Turntrans-73.7-16.7-177.5-60.4-66.6-13.600114.1K258K258-Q260 PolarHBondContact O-N 2.9Å
261V83.1Confident81.7Confident62 Ų6277.8 Ų77.838%0.37639%0.386SS..  trans-113.2106-179.1-173.70000108.1H229 T231 K258 M259H229-V261 PolarHBondContact CE1-O 2.91Å; H229-V261 PolarHBondContact NE2-O 3.39Å; T231-V261 WeakPolarHBondContact CA-O 3.38Å; T231-V261 WeakPolarHBondContact O-CG1 3.41Å; K258-V261 PolarHBondContact O-N 3.16Å; M259-V261 VanDerWaalsContact C-N 3.29Å; M259-V261 PolarHBondContact O-N 3.22Å
262N89.3Confident83Confident45 Ų4577 Ų7724%0.24139%0.386CS..  trans-138.3106.3-177.7-168.51.5000111.7H229 V230 W264H229-N262 WeakPolarHBondContact CA-OD1 3.29Å; H229-N262 VanDerWaalsContact CE1-CB 3.5Å; H229-N262 WeakPolarHBondContact CE1-CB 3.21Å; H229-N262 PolarHBondContact ND1-ND2 2.95Å; V230-N262 PolarHBondContact N-OD1 3.46Å; V230-N262 VanDerWaalsContact N-OD1 3.1Å; N262-W264 VanDerWaalsContact CG-CD1 3.47Å; N262-W264 VanDerWaalsContact ND2-CD1 3.31Å; N262-W264 WeakPolarHBondContact OD1-CB 3.41Å; N262-W264 PolarHBondContact OD1-N 3.5Å
263N91.6Very high83.8Confident49 Ų4980.3 Ų80.326%0.26241%0.41SS..  trans-103.532.1-178.1-56.5-29.2000111.7V230 T231 T232 N265 D266V230-N263 PolarHBondContact O-N 3.2Å; T231-N263 PolarHBondContact O-ND2 3.44Å; T232-N263 PolarHBondContact O-ND2 2.94Å; T232-N263 VanDerWaalsContact O-ND2 3.12Å; N263-N265 PolarHBondContact O-N 3.19Å; N263-D266 HydrophobicContact CB-CB 4.42Å; N263-D266 PolarHBondContact O-N 2.9Å; N263-D266 VanDerWaalsContact O-N 3.13Å
264W93.7Very high84.6Confident37 Ų3778 Ų7814%0.1440%0.397CS..THydrogen-bonded Turntrans-59.6-25.7-178.970.4-86.8000113.4A228 M244 A245 P246 N262 I284A228-W264 HydrophobicContact CB-CB 4.24Å; A228-W264 WeakPolarHBondContact O-CB 3.47Å; M244-W264 HydrophobicContact CB-CE3 4.1Å; M244-W264 HydrophobicContact CB-CZ3 4.3Å; M244-W264 WeakPolarHBondContact CE-O 3.07Å; M244-W264 WeakPolarHBondContact O-CZ3 3.35Å; A245-W264 VanDerWaalsContact C-CE3 3.44Å; P246-W264 HydrophobicContact CB-CD2 4.24Å; P246-W264 HydrophobicContact CB-CG 4.49Å; P246-W264 HydrophobicContact CB-CZ2 4.22Å; P246-W264 HydrophobicContact CG-CZ2 4.19Å; N262-W264 VanDerWaalsContact CG-CD1 3.47Å; N262-W264 VanDerWaalsContact ND2-CD1 3.31Å; N262-W264 WeakPolarHBondContact OD1-CB 3.41Å; N262-W264 PolarHBondContact OD1-N 3.5Å; W264-I284 HydrophobicContact CH2-CG2 3.85Å; W264-I284 HydrophobicContact CZ3-CG1 4.33Å; W264-I284 HydrophobicContact CZ3-CG2 4Å
265N93.1Very high85.1Confident79 Ų7974.3 Ų74.342%0.42239%0.386SS..THydrogen-bonded Turntrans-99.23.6179.565.5-19.6000114N263 W282 I284N263-N265 PolarHBondContact O-N 3.19Å; N265-W282 VanDerWaalsContact O-CH2 3.27Å; N265-W282 WeakPolarHBondContact O-CH2 3.4Å; N265-I284 HydrophobicContact CB-CD1 4.24Å
266D92.4Very high85.5Confident97 Ų9781.2 Ų81.252%0.51943%0.427SS..  trans-116.778.8175.2-17928.5000109.6N263N263-D266 HydrophobicContact CB-CB 4.42Å; N263-D266 PolarHBondContact O-N 2.9Å; N263-D266 VanDerWaalsContact O-N 3.13Å
267V93.8Very high85.9Confident8 Ų881.5 Ų81.55%0.04843%0.429CS..EExtended strand (participates in β ladder)trans-104.2120.8-175.6-176.90000110V236 M244 W282V236-V267 HydrophobicContact CB-CG1 4.41Å; V236-V267 HydrophobicContact CG1-CG1 3.67Å; V236-V267 HydrophobicContact CG2-CG1 4.18Å; M244-V267 HydrophobicContact CE-CG2 3.49Å; M244-V267 VanDerWaalsContact CE-CG2 3.49Å; M244-V267 HydrophobicContact CG-CG2 4.03Å; M244-V267 HydrophobicContact SD-CG2 4.27Å; V267-W282 HydrophobicContact CB-CD2 4.06Å; V267-W282 HydrophobicContact CB-CG 4.46Å; V267-W282 HydrophobicContact CB-CZ2 4.03Å; V267-W282 PolarHBondContact O-NE1 3.02Å
268K94Very high86.5Confident110 Ų11085.9 Ų85.948%0.47845%0.45SS..EExtended strand (participates in β ladder)trans-78.7125.6179.6-60-177.2-176.41760110.5G234 T235 V236 F270G234-K268 PolarHBondContact O-N 3.44Å; T235-K268 CarbonylContact C-O 3.59Å; T235-K268 VanDerWaalsContact CA-O 3.28Å; T235-K268 WeakPolarHBondContact CA-O 3.27Å; T235-K268 HydrophobicContact CG2-CB 4.38Å; V236-K268 PolarHBondContact N-O 3.32Å; K268-F270 HydrophobicContact CB-CE1 4.19Å
269D94.1Very high87.1Confident12 Ų1278.9 Ų78.96%0.06442%0.42CS..EExtended strand (participates in β ladder)trans-97.1110.2174.6-175-8000110.4V236 N271 H272 S279 S281V236-D269 HydrophobicContact CG2-CB 3.8Å; D269-N271 VanDerWaalsContact C-N 3.29Å; D269-N271 PolarHBondContact O-N 3.02Å; D269-N271 WeakPolarHBondContact OD1-CB 3.48Å; D269-N271 PolarHBondContact OD1-N 3.11Å; D269-H272 CarbonylContact O-C 3.26Å; D269-H272 VanDerWaalsContact O-C 3.26Å; D269-H272 PolarHBondContact O-N 3.15Å; D269-H272 PolarHBondContact OD1-N 2.88Å; D269-H272 IonicContact OD1-ND1 2.79Å; D269-H272 IonicContact OD2-CE1 3.86Å; D269-H272 IonicContact OD2-CG 4Å; D269-H272 IonicContact OD2-ND1 3.9Å; D269-H272 PolarHBondContact OD2-ND1 3.33Å; D269-S279 PolarHBondContact OD2-OG 3.33Å; D269-S281 VanDerWaalsContact OD2-CB 3.31Å; D269-S281 WeakPolarHBondContact OD2-CB 3.2Å; D269-S281 PolarHBondContact OD2-OG 2.89Å
270F92.2Very high88Confident112 Ų11277.7 Ų77.749%0.49142%0.421SS..SBendtrans-76.8-14.5179.7-66.7-24.1000113.8T235 V236 E237 K268T235-F270 HydrophobicContact CG2-CE1 4.23Å; T235-F270 HydrophobicContact CG2-CE2 3.84Å; T235-F270 HydrophobicContact CG2-CZ 3.51Å; V236-F270 PolarHBondContact O-N 3.14Å; E237-F270 HydrophobicContact CB-CB 4.18Å; E237-F270 HydrophobicContact CB-CD2 4.42Å; E237-F270 HydrophobicContact CG-CB 4.22Å; K268-F270 HydrophobicContact CB-CE1 4.19Å
271N89.1Confident88.9Confident63 Ų6369.5 Ų69.534%0.33738%0.384SS..SBendtrans-78.9-26.2171.3-71.655.4000111.7E237 N238 D269 P273E237-N271 VanDerWaalsContact CA-OD1 3.26Å; E237-N271 WeakPolarHBondContact CA-OD1 3.01Å; E237-N271 WeakPolarHBondContact CG-OD1 3.33Å; N238-N271 VanDerWaalsContact N-CG 3.35Å; N238-N271 PolarHBondContact N-ND2 3.2Å; N238-N271 PolarHBondContact N-OD1 3.05Å; N238-N271 PolarHBondContact OD1-ND2 3.08Å; D269-N271 VanDerWaalsContact C-N 3.29Å; D269-N271 PolarHBondContact O-N 3.02Å; D269-N271 WeakPolarHBondContact OD1-CB 3.48Å; D269-N271 PolarHBondContact OD1-N 3.11Å; N271-P273 VanDerWaalsContact C-CD 3.46Å
272H87.5Confident89.5Confident83 Ų8367.6 Ų67.638%0.38437%0.37SS..  trans-131.561.6-178.3-49.594.2000111.1D269 F274 C275 P280D269-H272 CarbonylContact O-C 3.26Å; D269-H272 VanDerWaalsContact O-C 3.26Å; D269-H272 PolarHBondContact O-N 3.15Å; D269-H272 PolarHBondContact OD1-N 2.88Å; D269-H272 IonicContact OD1-ND1 2.79Å; D269-H272 IonicContact OD2-CE1 3.86Å; D269-H272 IonicContact OD2-CG 4Å; D269-H272 IonicContact OD2-ND1 3.9Å; D269-H272 PolarHBondContact OD2-ND1 3.33Å; H272-F274 PolarHBondContact O-N 3.44Å; H272-C275 HydrophobicContact CB-CB 3.89Å; H272-C275 WeakPolarHBondContact O-CB 3.41Å; H272-C275 PolarHBondContact O-N 3.22Å; H272-P280 VanDerWaalsContact CE1-CG 3.42Å; H272-P280 WeakPolarHBondContact CE1-CG 3.2Å
273P85.8Confident89.9Confident87 Ų8770.1 Ų70.157%0.56538%0.379SS*.THydrogen-bonded Turntrans-63.7-17.6-173.625.9-34.9000113.8N271N271-P273 VanDerWaalsContact C-CD 3.46Å
274F86.1Confident90.1Very high135 Ų13571.5 Ų71.559%0.59239%0.385SS*.THydrogen-bonded Turntrans-111.415.5179.6-48.2-68.1000113.1H272 V276H272-F274 PolarHBondContact O-N 3.44Å; F274-V276 PolarHBondContact O-N 3.01Å
275C78.7Confident90.3Very high56 Ų5670 Ų7038%0.37838%0.38SS..  trans-59.5122178.1-1720000110.6H272 G277H272-C275 HydrophobicContact CB-CB 3.89Å; H272-C275 WeakPolarHBondContact O-CB 3.41Å; H272-C275 PolarHBondContact O-N 3.22Å; C275-G277 PolarHBondContact O-N 3.42Å
276V77.7Confident90.4Very high150 Ų15070.8 Ų70.891%0.90938%0.384SS*.SBendtrans-89.9102.9172.1-177.10000107.7F274F274-V276 PolarHBondContact O-N 3.01Å
277G83.2Confident90.4Very high65 Ų6573 Ų7367%0.6739%0.392SS*.SBendtrans110.8-153.7-17800000113.2C275C275-G277 PolarHBondContact O-N 3.42Å
278Q86.7Confident90.5Very high104 Ų10477.5 Ų77.549%0.48642%0.423SS..SBendtrans-70.4130.7-179.9-174.961.545.300110.6W282Q278-W282 VanDerWaalsContact NE2-CD2 3.28Å; Q278-W282 VanDerWaalsContact NE2-CE2 3.34Å; Q278-W282 VanDerWaalsContact NE2-CE3 3.32Å; Q278-W282 PolarHBondContact NE2-O 2.92Å
279S90.2Very high90.4Very high11 Ų1176 Ų768%0.07742%0.423CS..  trans-59.8143173.5155.20000110.9D269 S281 W282D269-S279 PolarHBondContact OD2-OG 3.33Å; S279-S281 PolarHBondContact O-N 3.44Å; S279-S281 WeakPolarHBondContact OG-CB 3.29Å; S279-S281 PolarHBondContact OG-N 2.92Å; S279-W282 VanDerWaalsContact OG-CD1 3.31Å
280P91.6Very high90.4Very high90 Ų9078 Ų7858%0.58443%0.43SS*.THydrogen-bonded Turntrans-70.5-15173.331.5-36.5000112.9H272H272-P280 VanDerWaalsContact CE1-CG 3.42Å; H272-P280 WeakPolarHBondContact CE1-CG 3.2Å
281S94Very high90.3Very high5 Ų576.2 Ų76.24%0.03542%0.423CS..THydrogen-bonded Turntrans-84.3-26.8-174.1-51.40000112.7C239 S240 M241 I242 D269 S279C239-S281 WeakPolarHBondContact O-CB 3.44Å; C239-S281 PolarHBondContact O-OG 3.38Å; S240-S281 CarbonylContact C-O 3.49Å; M241-S281 PolarHBondContact N-O 2.86Å; I242-S281 WeakPolarHBondContact CB-O 3.41Å; I242-S281 PolarHBondContact N-O 3.34Å; D269-S281 VanDerWaalsContact OD2-CB 3.31Å; D269-S281 WeakPolarHBondContact OD2-CB 3.2Å; D269-S281 PolarHBondContact OD2-OG 2.89Å; S279-S281 PolarHBondContact O-N 3.44Å; S279-S281 WeakPolarHBondContact OG-CB 3.29Å; S279-S281 PolarHBondContact OG-N 2.92Å
282W95.8Very high90.3Very high22 Ų2282.3 Ų82.38%0.08345%0.447CS..EExtended strand (participates in β ladder)trans-143.4159.1-173.773.5-91.4000113I242 M244 N265 V267 Q278 S279 I284I242-W282 HydrophobicContact CB-CB 3.75Å; I242-W282 HydrophobicContact CG2-CB 4.24Å; I242-W282 CarbonylContact O-C 3.58Å; I242-W282 WeakPolarHBondContact O-CA 3.22Å; I242-W282 VanDerWaalsContact O-CB 3.25Å; I242-W282 WeakPolarHBondContact O-CB 3.5Å; M244-W282 HydrophobicContact CB-CE3 4.46Å; M244-W282 HydrophobicContact CG-CE3 3.91Å; M244-W282 HydrophobicContact CG-CZ3 4.49Å; N265-W282 VanDerWaalsContact O-CH2 3.27Å; N265-W282 WeakPolarHBondContact O-CH2 3.4Å; V267-W282 HydrophobicContact CB-CD2 4.06Å; V267-W282 HydrophobicContact CB-CG 4.46Å; V267-W282 HydrophobicContact CB-CZ2 4.03Å; V267-W282 PolarHBondContact O-NE1 3.02Å; Q278-W282 VanDerWaalsContact NE2-CD2 3.28Å; Q278-W282 VanDerWaalsContact NE2-CE2 3.34Å; Q278-W282 VanDerWaalsContact NE2-CE3 3.32Å; Q278-W282 PolarHBondContact NE2-O 2.92Å; S279-W282 VanDerWaalsContact OG-CD1 3.31Å; W282-I284 HydrophobicContact CZ3-CG1 4Å
283F96.3Very high90.2Very high97 Ų9780.1 Ų80.143%0.42544%0.436SS..EExtended strand (participates in β ladder)trans-148.7162.1-18062.8-85.6000110.9I242 G243 M244 I285I242-F283 PolarHBondContact O-N 2.92Å; G243-F283 CarbonylContact C-O 3.56Å; G243-F283 WeakPolarHBondContact CA-O 3.43Å; M244-F283 PolarHBondContact N-O 3.07Å; F283-I285 HydrophobicContact CE2-CG1 4.15Å
284I96.6Very high89.7Confident78 Ų7881 Ų8140%0.444%0.436SS..EExtended strand (participates in β ladder)trans-84.1128.1172.6-63.1176.2000109M244 W264 N265 W282 D286M244-I284 WeakPolarHBondContact O-CA 3.27Å; W264-I284 HydrophobicContact CH2-CG2 3.85Å; W264-I284 HydrophobicContact CZ3-CG1 4.33Å; W264-I284 HydrophobicContact CZ3-CG2 4Å; N265-I284 HydrophobicContact CB-CD1 4.24Å; W282-I284 HydrophobicContact CZ3-CG1 4Å; I284-D286 PolarHBondContact O-N 3.47Å
285I96.7Very high89Confident6 Ų675 Ų753%0.03141%0.41CS..PPolyproline II helixtrans-71127.4176.4-59.5169.7000108.9K225 M244 A245 F283 T289 R290K225-I285 HydrophobicContact CB-CD1 3.91Å; K225-I285 HydrophobicContact CD-CD1 4.19Å; K225-I285 HydrophobicContact CG-CD1 3.98Å; M244-I285 PolarHBondContact O-N 3.31Å; A245-I285 HydrophobicContact CB-CB 4.27Å; A245-I285 HydrophobicContact CB-CD1 4.1Å; F283-I285 HydrophobicContact CE2-CG1 4.15Å; I285-T289 WeakPolarHBondContact CG2-OG1 3.19Å; I285-R290 HydrophobicContact CG2-CG 3.92Å; I285-R290 PolarHBondContact O-NE 3.37Å; I285-R290 VanDerWaalsContact O-NE 3.08Å; I285-R290 PolarHBondContact O-NH2 3.3Å
286D95.7Very high88.2Confident95 Ų9580 Ų8051%0.50843%0.433SS..PPolyproline II helixtrans-61138.3177.7-178.4-124.5000111.6I284 S288 T289 R290I284-D286 PolarHBondContact O-N 3.47Å; D286-S288 PolarHBondContact O-N 3.22Å; D286-S288 WeakPolarHBondContact OD1-CB 3.32Å; D286-S288 PolarHBondContact OD1-N 3.38Å; D286-S288 PolarHBondContact OD1-OG 2.86Å; D286-T289 HydrophobicContact CB-CG2 4.47Å; D286-T289 PolarHBondContact O-N 3.19Å; D286-T289 PolarHBondContact O-OG1 3.31Å; D286-R290 PolarHBondContact O-N 2.9Å
287E93.8Very high88.8Confident145 Ų14576.6 Ų76.668%0.67841%0.41SS*.G310 helixtrans-56.2-38.3-174.1-72.7-177.3-178.400112.8T289 R290E287-T289 PolarHBondContact O-N 2.93Å; E287-R290 VanDerWaalsContact CG-CZ 3.42Å; E287-R290 PolarHBondContact O-N 2.87Å; E287-R290 IonicContact OE1-NH1 3.46Å; E287-R290 IonicContact OE1-NH2 2.68Å
288S93.8Very high89.1Confident101 Ų10177.2 Ų77.271%0.70640%0.396SS*.G310 helixtrans-67.7-19.5-179.774.90000113.8D286D286-S288 PolarHBondContact O-N 3.22Å; D286-S288 WeakPolarHBondContact OD1-CB 3.32Å; D286-S288 PolarHBondContact OD1-N 3.38Å; D286-S288 PolarHBondContact OD1-OG 2.86Å
289T93.2Very high89.2Confident79 Ų7975.7 Ų75.749%0.48539%0.391SS..G310 helixtrans-105.60.3-175.8680000113.5I285 D286 E287 E291I285-T289 WeakPolarHBondContact CG2-OG1 3.19Å; D286-T289 HydrophobicContact CB-CG2 4.47Å; D286-T289 PolarHBondContact O-N 3.19Å; D286-T289 PolarHBondContact O-OG1 3.31Å; E287-T289 PolarHBondContact O-N 2.93Å; T289-E291 PolarHBondContact O-N 3.14Å
290R93.2Very high89.1Confident53 Ų5379.5 Ų79.520%0.241%0.409CS..PPolyproline II helixtrans-69.9131-179.5-70.3-179.6-169.1162.89.7110.3Y227 A245 I285 D286 E287Y227-R290 HydrophobicContact CE1-CB 4.11Å; Y227-R290 HydrophobicContact CE1-CG 4.29Å; A245-R290 HydrophobicContact CB-CG 4.42Å; I285-R290 HydrophobicContact CG2-CG 3.92Å; I285-R290 PolarHBondContact O-NE 3.37Å; I285-R290 VanDerWaalsContact O-NE 3.08Å; I285-R290 PolarHBondContact O-NH2 3.3Å; D286-R290 PolarHBondContact O-N 2.9Å; E287-R290 VanDerWaalsContact CG-CZ 3.42Å; E287-R290 PolarHBondContact O-N 2.87Å; E287-R290 IonicContact OE1-NH1 3.46Å; E287-R290 IonicContact OE1-NH2 2.68Å
291E90.8Very high89Confident76 Ų7678.8 Ų78.836%0.35540%0.398SS..PPolyproline II helixtrans-84.5143.1174.9-65.9164.5-13200109.1K225 Y227 T289 F293K225-E291 IonicContact NZ-OE1 3.38Å; K225-E291 PolarHBondContact NZ-OE1 2.85Å; Y227-E291 WeakPolarHBondContact CE1-O 3.41Å; Y227-E291 PolarHBondContact OH-N 3.19Å; T289-E291 PolarHBondContact O-N 3.14Å; E291-F293 HydrophobicContact CB-CE1 4.44Å; E291-F293 HydrophobicContact CB-CE2 3.61Å; E291-F293 HydrophobicContact CB-CZ 3.5Å; E291-F293 HydrophobicContact CG-CZ 4.45Å; E291-F293 WeakPolarHBondContact O-CE2 3.5Å; E291-F293 WeakPolarHBondContact OE2-CZ 3.3Å
292K88.3Confident88.7Confident190 Ų19083.7 Ų83.783%0.82642%0.423SS*.PPolyproline II helixtrans-96.3137.4173.2-65.4-173.8179-176.20109.5
293F86.4Confident88.1Confident38 Ų3888.1 Ų88.117%0.16745%0.447CS..  trans-122.8137.2179.3-59.4-85.5000109.5T189 V191 T208 V210 Y227 K249 E291T189-F293 HydrophobicContact CG2-CD1 4.22Å; T189-F293 HydrophobicContact CG2-CE1 3.84Å; V191-F293 HydrophobicContact CG1-CB 4.37Å; V191-F293 HydrophobicContact CG2-CB 4.35Å; V191-F293 HydrophobicContact CG2-CD1 4.06Å; V191-F293 HydrophobicContact CG2-CG 4.45Å; T208-F293 HydrophobicContact CG2-CE1 4.06Å; T208-F293 HydrophobicContact CG2-CE2 4.15Å; T208-F293 HydrophobicContact CG2-CZ 3.51Å; V210-F293 HydrophobicContact CG2-CB 4.11Å; V210-F293 HydrophobicContact CG2-CD1 3.99Å; V210-F293 HydrophobicContact CG2-CD2 3.45Å; V210-F293 VanDerWaalsContact CG2-CD2 3.45Å; V210-F293 HydrophobicContact CG2-CE1 4.34Å; V210-F293 HydrophobicContact CG2-CE2 3.85Å; V210-F293 HydrophobicContact CG2-CG 3.55Å; V210-F293 HydrophobicContact CG2-CZ 4.29Å; Y227-F293 HydrophobicContact CD1-CE2 4.3Å; Y227-F293 HydrophobicContact CD2-CD2 4.31Å; Y227-F293 AromaticContact CD2-CE2 3.59Å; Y227-F293 HydrophobicContact CD2-CE2 3.59Å; Y227-F293 HydrophobicContact CD2-CZ 4.32Å; Y227-F293 HydrophobicContact CE1-CE2 4.13Å; Y227-F293 HydrophobicContact CE2-CD2 4.47Å; Y227-F293 AromaticContact CE2-CE2 3.41Å; Y227-F293 HydrophobicContact CE2-CE2 3.41Å; Y227-F293 VanDerWaalsContact CE2-CE2 3.41Å; Y227-F293 AromaticContact CE2-CZ 3.94Å; Y227-F293 HydrophobicContact CE2-CZ 3.94Å; Y227-F293 HydrophobicContact CG-CD2 4.41Å; Y227-F293 HydrophobicContact CG-CE2 4.06Å; Y227-F293 AromaticContact CZ-CE2 3.7Å; K249-F293 WeakPolarHBondContact CE-O 3.42Å; K249-F293 VanDerWaalsContact NZ-C 3.32Å; K249-F293 PolarHBondContact NZ-O 3.19Å; E291-F293 HydrophobicContact CB-CE1 4.44Å; E291-F293 HydrophobicContact CB-CE2 3.61Å; E291-F293 HydrophobicContact CB-CZ 3.5Å; E291-F293 HydrophobicContact CG-CZ 4.45Å; E291-F293 WeakPolarHBondContact O-CE2 3.5Å; E291-F293 WeakPolarHBondContact OE2-CZ 3.3Å
294D75.7Confident87.5Confident104 Ų10487.5 Ų87.556%0.55645%0.448SS*.  trans-101.5145.2171.1-153.3-18.3000110.9K249 D296K249-D294 PolarHBondContact NZ-O 3.11Å; D294-D296 PolarHBondContact OD1-N 3.01Å
295L69.6Low86.8Confident10 Ų1088.3 Ų88.35%0.05245%0.453CS..  trans-97.6-17.5172.8-97.9172.1000111V174 V191 K249V174-L295 HydrophobicContact CG2-CD2 4.4Å; V191-L295 HydrophobicContact CG1-CD2 3.81Å; V191-L295 HydrophobicContact CG1-CG 3.97Å; K249-L295 HydrophobicContact CD-CB 4.21Å; K249-L295 HydrophobicContact CD-CD1 3.53Å; K249-L295 HydrophobicContact CD-CG 3.75Å
296D63.9Low85.9Confident162 Ų16295.7 Ų95.787%0.86649%0.491SS*.  trans-97.70-175.3-60.8-35.8000113.6R251 D294R251-D296 IonicContact NH2-OD1 3.02Å; D294-D296 PolarHBondContact OD1-N 3.01Å

Retrieved 296 of 296 residues in 154.5 ms (Link to these results)

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