A0A087YIB5_POEFO Loading...

Methenyltetrahydrofolate synthase domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YIB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.5Low89.2Confident178 Ų17885.2 Ų85.288%0.87749%0.492SS*.  0134.60-173.4-175.8-71.700106
2E79.9Confident89.9Confident146 Ų14681.7 Ų81.768%0.68248%0.476SS*.  trans-62.9139.3-178.2-73.7-162.3-17300111.9V4 K6E2-V4 PolarHBondContact O-N 3.31Å; E2-K6 IonicContact OE2-NZ 3.24Å; E2-K6 PolarHBondContact OE2-NZ 3.35Å
3P88.9Confident90.5Very high20 Ų2077.1 Ų77.113%0.1345%0.447CS..  trans-59.6131.5172.9-29.639000112.5I5 K6 D191P3-I5 VanDerWaalsContact C-N 3.31Å; P3-K6 WeakPolarHBondContact O-CE 3.15Å; P3-D191 WeakPolarHBondContact CG-OD2 3.27Å
4V95.3Very high90.9Very high95 Ų9574.1 Ų74.158%0.57643%0.425SS*.SBendtrans-72.9-29.1177.3-176.10000111.4E2 Y23E2-V4 PolarHBondContact O-N 3.31Å; V4-Y23 HydrophobicContact CG1-CE2 4.08Å; V4-Y23 WeakPolarHBondContact CG1-OH 3.44Å
5I96.9Very high91.4Very high3 Ų374.6 Ų74.62%0.01543%0.425CS..SBendtrans-96.6112.4172.5-56.5-179.5000107.6P3 I7 R19 V20 Y23 C187 V190P3-I5 VanDerWaalsContact C-N 3.31Å; I5-I7 HydrophobicContact CG2-CD1 4.08Å; I5-R19 HydrophobicContact CG2-CB 4.45Å; I5-R19 HydrophobicContact CG2-CG 3.57Å; I5-V20 HydrophobicContact CD1-CB 4.42Å; I5-V20 HydrophobicContact CD1-CG2 4Å; I5-Y23 HydrophobicContact CD1-CD1 3.85Å; I5-Y23 HydrophobicContact CD1-CD2 4.13Å; I5-Y23 HydrophobicContact CD1-CG 3.57Å; I5-Y23 HydrophobicContact CG1-CD1 4.16Å; I5-Y23 HydrophobicContact CG1-CD2 3.81Å; I5-Y23 HydrophobicContact CG1-CE2 4.23Å; I5-Y23 HydrophobicContact CG1-CG 3.78Å; I5-C187 HydrophobicContact CD1-CB 4.37Å; I5-C187 VanDerWaalsContact CD1-O 3.24Å; I5-C187 WeakPolarHBondContact CD1-O 3.39Å; I5-V190 HydrophobicContact CB-CG1 3.86Å; I5-V190 HydrophobicContact CG2-CG1 4.37Å
6K95.4Very high91.8Very high109 Ų10970 Ų7047%0.47440%0.399SS..PPolyproline II helixtrans-85.3132.7174.3-59-63.1-174.6179.60109.8E2 P3E2-K6 IonicContact OE2-NZ 3.24Å; E2-K6 PolarHBondContact OE2-NZ 3.35Å; P3-K6 WeakPolarHBondContact O-CE 3.15Å
7I94.4Very high92.2Very high33 Ų3366.3 Ų66.317%0.16938%0.377CS..PPolyproline II helixtrans-98.3129.8177-55.1-49.5000108.4I5 A11 I16 V190 D191I5-I7 HydrophobicContact CG2-CD1 4.08Å; I7-A11 HydrophobicContact CG2-CB 3.69Å; I7-I16 HydrophobicContact CD1-CB 4.48Å; I7-I16 HydrophobicContact CD1-CG1 4.03Å; I7-I16 HydrophobicContact CD1-CG2 4.12Å; I7-I16 HydrophobicContact CG1-CG1 4.37Å; I7-I16 HydrophobicContact CG2-CD1 3.99Å; I7-I16 HydrophobicContact CG2-CG1 3.79Å; I7-V190 HydrophobicContact CD1-CB 4.39Å; I7-V190 HydrophobicContact CD1-CG2 4.34Å; I7-V190 HydrophobicContact CG1-CB 4.18Å; I7-V190 HydrophobicContact CG1-CG2 4.18Å; I7-D191 WeakPolarHBondContact CG1-O 3.47Å
8N90.2Very high92.5Very high123 Ų12365.4 Ų65.466%0.65837%0.369SS*.PPolyproline II helixtrans-75.4147.8-179.9-65.8-22.4000110.7G10 A11N8-G10 PolarHBondContact O-N 3.18Å; N8-A11 WeakPolarHBondContact O-CB 3.43Å; N8-A11 PolarHBondContact O-N 3.19Å; N8-A11 VanDerWaalsContact O-N 3.16Å
9P90.6Very high92.8Very high134 Ų13468.9 Ų68.987%0.8738%0.376SS*.THydrogen-bonded Turntrans-53.6137.3168.4-24.634.3000111.4A11P9-A11 VanDerWaalsContact C-N 3.27Å; P9-A11 PolarHBondContact O-N 3.24Å
10G92.3Very high93.1Very high83 Ų8365.5 Ų65.586%0.85636%0.357SS*.THydrogen-bonded Turntrans75.95.7-178.800000115.5N8N8-G10 PolarHBondContact O-N 3.18Å
11A95.3Very high93.4Very high13 Ų1362.3 Ų62.311%0.10734%0.34CS..  trans-61.8135.8174.900000111.6I7 N8 P9 D15 I16 L196I7-A11 HydrophobicContact CG2-CB 3.69Å; N8-A11 WeakPolarHBondContact O-CB 3.43Å; N8-A11 PolarHBondContact O-N 3.19Å; N8-A11 VanDerWaalsContact O-N 3.16Å; P9-A11 VanDerWaalsContact C-N 3.27Å; P9-A11 PolarHBondContact O-N 3.24Å; A11-D15 HydrophobicContact CB-CB 4.18Å; A11-I16 HydrophobicContact CB-CG1 4.39Å; A11-L196 WeakPolarHBondContact O-CD1 3.49Å
12S97.6Very high95.2Very high43 Ų4356.4 Ų56.430%0.30131%0.312SS..  trans-78.4166.6170.670.70000111.4W14 D15 I16S12-W14 PolarHBondContact O-N 3.03Å; S12-W14 PolarHBondContact OG-N 3.49Å; S12-D15 WeakPolarHBondContact CB-OD2 3.32Å; S12-D15 PolarHBondContact N-OD2 3.07Å; S12-D15 PolarHBondContact O-N 3Å; S12-D15 PolarHBondContact OG-N 3.01Å; S12-D15 VanDerWaalsContact OG-N 3.14Å; S12-D15 PolarHBondContact OG-OD2 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.15Å; S12-I16 PolarHBondContact O-N 3.48Å; S12-I16 VanDerWaalsContact O-N 3.14Å
13K97.8Very high96Very high22 Ų2251.6 Ų51.610%0.09629%0.288CS..Hα-helixtrans-55.8-36169.3-69.7-176.4-177.4170.70111.6I16 R17 I154 L196 D201 E266K13-I16 PolarHBondContact O-N 3.28Å; K13-R17 WeakPolarHBondContact O-CG 3.3Å; K13-R17 PolarHBondContact O-N 3.31Å; K13-I154 HydrophobicContact CB-CD1 4.32Å; K13-I154 HydrophobicContact CB-CG2 4.38Å; K13-I154 HydrophobicContact CD-CG1 4.46Å; K13-I154 HydrophobicContact CG-CD1 4.03Å; K13-I154 HydrophobicContact CG-CG1 4.15Å; K13-L196 WeakPolarHBondContact CE-O 3.4Å; K13-L196 HydrophobicContact CG-CB 4.3Å; K13-L196 PolarHBondContact NZ-O 3.33Å; K13-D201 IonicContact NZ-OD1 3.92Å; K13-D201 PolarHBondContact NZ-OD1 3.22Å; K13-D201 IonicContact NZ-OD2 3.42Å; K13-D201 PolarHBondContact NZ-OD2 2.92Å; K13-E266 WeakPolarHBondContact CB-OE2 3.45Å; K13-E266 WeakPolarHBondContact CD-OE1 3.5Å
14W97.1Very high96.5Very high36 Ų3650.7 Ų50.714%0.13628%0.282CS..Hα-helixtrans-64.1-44.8177-179.2-104.3000112.5S12 I16 R17 Q18 W21 E266 G268 L269S12-W14 PolarHBondContact O-N 3.03Å; S12-W14 PolarHBondContact OG-N 3.49Å; W14-I16 VanDerWaalsContact C-N 3.29Å; W14-I16 PolarHBondContact O-N 3.38Å; W14-R17 WeakPolarHBondContact O-CB 3.32Å; W14-R17 PolarHBondContact O-N 3.12Å; W14-R17 VanDerWaalsContact O-N 3.13Å; W14-Q18 HydrophobicContact CD2-CG 4.44Å; W14-Q18 HydrophobicContact CZ2-CG 4.2Å; W14-Q18 PolarHBondContact O-N 2.98Å; W14-W21 HydrophobicContact CH2-CZ3 4.2Å; W14-W21 HydrophobicContact CZ3-CH2 4.37Å; W14-W21 HydrophobicContact CZ3-CZ3 4.07Å; W14-E266 PolarHBondContact N-OE2 3.01Å; W14-G268 WeakPolarHBondContact CH2-O 3.33Å; W14-G268 WeakPolarHBondContact CZ2-O 3.39Å; W14-L269 HydrophobicContact CZ3-CG 4.32Å
15D97.6Very high96.6Very high81 Ų8148 Ų4843%0.43326%0.263SS..Hα-helixtrans-60.3-42.2177.7-58.6-47.8000111A11 S12 Q18 R19A11-D15 HydrophobicContact CB-CB 4.18Å; S12-D15 WeakPolarHBondContact CB-OD2 3.32Å; S12-D15 PolarHBondContact N-OD2 3.07Å; S12-D15 PolarHBondContact O-N 3Å; S12-D15 PolarHBondContact OG-N 3.01Å; S12-D15 VanDerWaalsContact OG-N 3.14Å; S12-D15 PolarHBondContact OG-OD2 3.23Å; D15-Q18 PolarHBondContact O-N 3.11Å; D15-R19 WeakPolarHBondContact O-CB 3.47Å; D15-R19 PolarHBondContact O-N 3.2Å
16I98.4Very high96.7Very high1 Ų154.3 Ų54.31%0.00529%0.293CS..Hα-helixtrans-61.8-45.4175.3-62169.1000110.7I7 A11 S12 K13 W14 R19 V20 A146 I154 V190 I192 L196I7-I16 HydrophobicContact CD1-CB 4.48Å; I7-I16 HydrophobicContact CD1-CG1 4.03Å; I7-I16 HydrophobicContact CD1-CG2 4.12Å; I7-I16 HydrophobicContact CG1-CG1 4.37Å; I7-I16 HydrophobicContact CG2-CD1 3.99Å; I7-I16 HydrophobicContact CG2-CG1 3.79Å; A11-I16 HydrophobicContact CB-CG1 4.39Å; S12-I16 WeakPolarHBondContact O-CG1 3.15Å; S12-I16 PolarHBondContact O-N 3.48Å; S12-I16 VanDerWaalsContact O-N 3.14Å; K13-I16 PolarHBondContact O-N 3.28Å; W14-I16 VanDerWaalsContact C-N 3.29Å; W14-I16 PolarHBondContact O-N 3.38Å; I16-R19 PolarHBondContact O-N 3.27Å; I16-V20 HydrophobicContact CG2-CG2 4.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.48Å; I16-V20 PolarHBondContact O-N 3.13Å; I16-A146 HydrophobicContact CG2-CB 3.73Å; I16-I154 HydrophobicContact CB-CD1 4.08Å; I16-I154 HydrophobicContact CD1-CD1 3.56Å; I16-I154 HydrophobicContact CG1-CD1 4.42Å; I16-I154 HydrophobicContact CG2-CD1 3.93Å; I16-V190 HydrophobicContact CG2-CG2 4.39Å; I16-I192 HydrophobicContact CD1-CG2 4.47Å; I16-L196 HydrophobicContact CD1-CD1 3.62Å
17R98.6Very high96.8Very high7 Ų754.9 Ų54.93%0.02630%0.295CS..Hα-helixtrans-59.7-48.9177.7-70-179.8-155.9103.60.1111.6K13 W14 R19 V20 W21 V145 I154 G155 E266K13-R17 WeakPolarHBondContact O-CG 3.3Å; K13-R17 PolarHBondContact O-N 3.31Å; W14-R17 WeakPolarHBondContact O-CB 3.32Å; W14-R17 PolarHBondContact O-N 3.12Å; W14-R17 VanDerWaalsContact O-N 3.13Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R17-R19 PolarHBondContact O-N 3.18Å; R17-V20 PolarHBondContact O-N 3.18Å; R17-W21 HydrophobicContact CB-CD2 4.33Å; R17-W21 HydrophobicContact CB-CE3 3.95Å; R17-W21 HydrophobicContact CB-CH2 3.82Å; R17-W21 HydrophobicContact CB-CZ2 4.21Å; R17-W21 HydrophobicContact CB-CZ3 3.68Å; R17-W21 HydrophobicContact CG-CH2 4.29Å; R17-W21 WeakPolarHBondContact O-CB 3.41Å; R17-W21 VanDerWaalsContact O-CD2 3.25Å; R17-W21 VanDerWaalsContact O-CG 3.27Å; R17-W21 PolarHBondContact O-N 2.92Å; R17-V145 HydrophobicContact CB-CG1 4.16Å; R17-V145 HydrophobicContact CG-CB 4.29Å; R17-V145 HydrophobicContact CG-CG1 4.01Å; R17-V145 HydrophobicContact CG-CG2 4.48Å; R17-I154 HydrophobicContact CG-CG2 3.72Å; R17-G155 WeakPolarHBondContact CD-O 3.21Å; R17-G155 PolarHBondContact NE-O 2.76Å; R17-E266 IonicContact CZ-OE1 3.54Å; R17-E266 IonicContact CZ-OE2 3.93Å; R17-E266 IonicContact NH1-OE1 2.67Å; R17-E266 IonicContact NH1-OE2 2.59Å; R17-E266 PolarHBondContact NH1-OE2 2.93Å; R17-E266 IonicContact NH2-OE1 2.79Å; R17-E266 PolarHBondContact NH2-OE1 3.44Å; R17-E266 IonicContact NH2-OE2 2.61Å; R17-E266 PolarHBondContact NH2-OE2 3.27Å
18Q98.1Very high97Very high51 Ų5157.2 Ų57.224%0.23831%0.308CS..Hα-helixtrans-57.2-50.3177.5-72-60.4-57.300110.5W14 D15 V20 W21 D22W14-Q18 HydrophobicContact CD2-CG 4.44Å; W14-Q18 HydrophobicContact CZ2-CG 4.2Å; W14-Q18 PolarHBondContact O-N 2.98Å; D15-Q18 PolarHBondContact O-N 3.11Å; Q18-V20 VanDerWaalsContact C-N 3.31Å; Q18-V20 PolarHBondContact O-N 3.27Å; Q18-W21 PolarHBondContact O-N 3.03Å; Q18-D22 WeakPolarHBondContact O-CB 3.01Å; Q18-D22 PolarHBondContact O-N 3.32Å
19R98.3Very high97.4Very high131 Ų13153 Ų5349%0.49429%0.285SS..Hα-helixtrans-58.2-43-178.2-165.868.6176.6142.2-2.3112.7I5 D15 I16 R17 Y23I5-R19 HydrophobicContact CG2-CB 4.45Å; I5-R19 HydrophobicContact CG2-CG 3.57Å; D15-R19 WeakPolarHBondContact O-CB 3.47Å; D15-R19 PolarHBondContact O-N 3.2Å; I16-R19 PolarHBondContact O-N 3.27Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R17-R19 PolarHBondContact O-N 3.18Å; R19-Y23 VanDerWaalsContact O-CB 3.3Å; R19-Y23 WeakPolarHBondContact O-CB 3.35Å; R19-Y23 PolarHBondContact O-N 3.4Å
20V98.6Very high97.7Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-69.1-44.8177.7173.20000111.9I5 I16 R17 Q18 Y23 I24 V145 A146 Q188I5-V20 HydrophobicContact CD1-CB 4.42Å; I5-V20 HydrophobicContact CD1-CG2 4Å; I16-V20 HydrophobicContact CG2-CG2 4.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.48Å; I16-V20 PolarHBondContact O-N 3.13Å; R17-V20 PolarHBondContact O-N 3.18Å; Q18-V20 VanDerWaalsContact C-N 3.31Å; Q18-V20 PolarHBondContact O-N 3.27Å; V20-Y23 PolarHBondContact O-N 2.98Å; V20-I24 HydrophobicContact CG1-CD1 3.91Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 2.69Å; V20-V145 HydrophobicContact CB-CG1 4.1Å; V20-V145 HydrophobicContact CG1-CG1 4.09Å; V20-V145 WeakPolarHBondContact CG1-O 3.41Å; V20-A146 HydrophobicContact CG2-CB 4.18Å; V20-Q188 HydrophobicContact CG1-CG 3.84Å
21W98.5Very high98Very high0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-60.8-47.4178-71.7-36.6000111.8W14 R17 Q18 Y23 I24 E25 V36 H37 N38 R39 V145 K156W14-W21 HydrophobicContact CH2-CZ3 4.2Å; W14-W21 HydrophobicContact CZ3-CH2 4.37Å; W14-W21 HydrophobicContact CZ3-CZ3 4.07Å; R17-W21 HydrophobicContact CB-CD2 4.33Å; R17-W21 HydrophobicContact CB-CE3 3.95Å; R17-W21 HydrophobicContact CB-CH2 3.82Å; R17-W21 HydrophobicContact CB-CZ2 4.21Å; R17-W21 HydrophobicContact CB-CZ3 3.68Å; R17-W21 HydrophobicContact CG-CH2 4.29Å; R17-W21 WeakPolarHBondContact O-CB 3.41Å; R17-W21 VanDerWaalsContact O-CD2 3.25Å; R17-W21 VanDerWaalsContact O-CG 3.27Å; R17-W21 PolarHBondContact O-N 2.92Å; Q18-W21 PolarHBondContact O-N 3.03Å; W21-Y23 PolarHBondContact O-N 3.36Å; W21-I24 PolarHBondContact O-N 2.78Å; W21-E25 WeakPolarHBondContact O-CG 3.24Å; W21-E25 PolarHBondContact O-N 2.86Å; W21-V36 HydrophobicContact CB-CG2 4.02Å; W21-V36 HydrophobicContact CG-CG2 4.14Å; W21-V36 PolarHBondContact NE1-O 3.4Å; W21-V36 VanDerWaalsContact NE1-O 3.15Å; W21-H37 HydrophobicContact CD2-CB 4.42Å; W21-H37 HydrophobicContact CE3-CB 4.3Å; W21-H37 AromaticContact CE3-CD2 3.96Å; W21-N38 VanDerWaalsContact CH2-N 3.29Å; W21-R39 PolarHBondContact NE1-O 3.01Å; W21-V145 HydrophobicContact CZ2-CG2 3.88Å; W21-K156 HydrophobicContact CZ2-CB 4.42Å
22D98.4Very high97.9Very high53 Ų5353.3 Ų53.328%0.28325%0.251SS..Hα-helixtrans-59.3-48.6177.8-67.4-19.2000110.7Q18 I24 E25 E26 H37Q18-D22 WeakPolarHBondContact O-CB 3.01Å; Q18-D22 PolarHBondContact O-N 3.32Å; D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.27Å; D22-E25 PolarHBondContact O-N 3.01Å; D22-E25 VanDerWaalsContact O-N 3.14Å; D22-E26 WeakPolarHBondContact O-CB 3.45Å; D22-E26 VanDerWaalsContact O-CG 3.25Å; D22-E26 WeakPolarHBondContact O-CG 3.48Å; D22-E26 PolarHBondContact O-N 3.21Å; D22-H37 IonicContact OD1-CD2 3.66Å; D22-H37 IonicContact OD1-CE1 2.78Å; D22-H37 PolarHBondContact OD1-CE1 3.35Å; D22-H37 IonicContact OD1-NE2 2.7Å; D22-H37 PolarHBondContact OD1-NE2 3Å
23Y98.6Very high97.8Very high46 Ų4652.4 Ų52.418%0.1824%0.244CC..Hα-helixtrans-58.3-44.8179.3-171.7-83.3000112.4V4 I5 R19 V20 W21 E25 K27 L29 C187V4-Y23 HydrophobicContact CG1-CE2 4.08Å; V4-Y23 WeakPolarHBondContact CG1-OH 3.44Å; I5-Y23 HydrophobicContact CD1-CD1 3.85Å; I5-Y23 HydrophobicContact CD1-CD2 4.13Å; I5-Y23 HydrophobicContact CD1-CG 3.57Å; I5-Y23 HydrophobicContact CG1-CD1 4.16Å; I5-Y23 HydrophobicContact CG1-CD2 3.81Å; I5-Y23 HydrophobicContact CG1-CE2 4.23Å; I5-Y23 HydrophobicContact CG1-CG 3.78Å; R19-Y23 VanDerWaalsContact O-CB 3.3Å; R19-Y23 WeakPolarHBondContact O-CB 3.35Å; R19-Y23 PolarHBondContact O-N 3.4Å; V20-Y23 PolarHBondContact O-N 2.98Å; W21-Y23 PolarHBondContact O-N 3.36Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 3.45Å; Y23-K27 HydrophobicContact CD1-CG 3.98Å; Y23-K27 HydrophobicContact CD2-CG 4.46Å; Y23-K27 HydrophobicContact CE1-CB 4.29Å; Y23-K27 HydrophobicContact CE1-CG 3.59Å; Y23-K27 HydrophobicContact CE2-CG 4.14Å; Y23-K27 HydrophobicContact CG-CG 4.38Å; Y23-K27 VanDerWaalsContact O-CB 3.3Å; Y23-K27 WeakPolarHBondContact O-CB 3.44Å; Y23-K27 WeakPolarHBondContact O-CG 3.43Å; Y23-K27 PolarHBondContact O-N 3.45Å; Y23-L29 HydrophobicContact CD1-CD1 4.34Å; Y23-L29 HydrophobicContact CE1-CD1 4.05Å; Y23-C187 HydrophobicContact CD1-CB 3.98Å; Y23-C187 HydrophobicContact CE1-CB 3.73Å
24I98.6Very high97.6Very high0 Ų055.9 Ų55.90%026%0.257CS..Hα-helixtrans-64.3-38.9179-74.4175.1000111.4V20 W21 D22 N28 L29 A30 V36 P41 Q188V20-I24 HydrophobicContact CG1-CD1 3.91Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 2.69Å; W21-I24 PolarHBondContact O-N 2.78Å; D22-I24 VanDerWaalsContact C-N 3.34Å; D22-I24 PolarHBondContact O-N 3.27Å; I24-N28 PolarHBondContact O-N 3.44Å; I24-L29 HydrophobicContact CG2-CB 4.24Å; I24-L29 PolarHBondContact O-N 3.18Å; I24-A30 HydrophobicContact CG2-CB 3.79Å; I24-V36 HydrophobicContact CB-CG2 4.28Å; I24-V36 HydrophobicContact CG2-CG1 4.14Å; I24-V36 HydrophobicContact CG2-CG2 3.98Å; I24-P41 HydrophobicContact CD1-CB 3.49Å; I24-P41 VanDerWaalsContact CD1-CB 3.49Å; I24-P41 HydrophobicContact CD1-CG 3.68Å; I24-Q188 HydrophobicContact CD1-CG 3.82Å
25E98.1Very high97.5Very high40 Ų4057.9 Ų57.919%0.18727%0.274CS..Hα-helixtrans-69.4-49.7177.9-70.3-66.2150.300111.7W21 D22 Y23 K27 N28 R34 P35 V36W21-E25 WeakPolarHBondContact O-CG 3.24Å; W21-E25 PolarHBondContact O-N 2.86Å; D22-E25 PolarHBondContact O-N 3.01Å; D22-E25 VanDerWaalsContact O-N 3.14Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 3.45Å; E25-K27 PolarHBondContact O-N 2.81Å; E25-N28 PolarHBondContact O-N 3.3Å; E25-N28 VanDerWaalsContact O-N 3.07Å; E25-R34 PolarHBondContact O-NH2 2.61Å; E25-R34 VanDerWaalsContact O-NH2 3.09Å; E25-R34 IonicContact OE1-NE 3.56Å; E25-R34 IonicContact OE2-CZ 2.89Å; E25-R34 IonicContact OE2-NE 2.62Å; E25-R34 PolarHBondContact OE2-NE 2.8Å; E25-R34 IonicContact OE2-NH2 2.73Å; E25-R34 PolarHBondContact OE2-NH2 3.2Å; E25-P35 WeakPolarHBondContact OE1-CA 3.49Å; E25-V36 HydrophobicContact CG-CG2 3.95Å; E25-V36 WeakPolarHBondContact OE1-CG2 3.46Å; E25-V36 PolarHBondContact OE1-N 3.1Å
26E98.1Very high97.5Very high135 Ų13554.1 Ų54.163%0.63125%0.254SS*.Hα-helixtrans-60.8-43.7-179.6-74.2174.6-174.400112.2D22 N28D22-E26 WeakPolarHBondContact O-CB 3.45Å; D22-E26 VanDerWaalsContact O-CG 3.25Å; D22-E26 WeakPolarHBondContact O-CG 3.48Å; D22-E26 PolarHBondContact O-N 3.21Å; E26-N28 PolarHBondContact O-N 3.13Å
27K98.2Very high97.4Very high121 Ų12156.2 Ų56.253%0.52626%0.264SS..THydrogen-bonded Turntrans-81.23.3177.7-60.9-56.7-176.1-176.80113.3Y23 E25 L29Y23-K27 HydrophobicContact CD1-CG 3.98Å; Y23-K27 HydrophobicContact CD2-CG 4.46Å; Y23-K27 HydrophobicContact CE1-CB 4.29Å; Y23-K27 HydrophobicContact CE1-CG 3.59Å; Y23-K27 HydrophobicContact CE2-CG 4.14Å; Y23-K27 HydrophobicContact CG-CG 4.38Å; Y23-K27 VanDerWaalsContact O-CB 3.3Å; Y23-K27 WeakPolarHBondContact O-CB 3.44Å; Y23-K27 WeakPolarHBondContact O-CG 3.43Å; Y23-K27 PolarHBondContact O-N 3.45Å; E25-K27 PolarHBondContact O-N 2.81Å; K27-L29 HydrophobicContact CB-CD1 3.83Å; K27-L29 HydrophobicContact CB-CG 3.76Å; K27-L29 PolarHBondContact O-N 3.45Å
28N97.7Very high97.2Very high81 Ų8160.2 Ų60.243%0.43329%0.286SS..THydrogen-bonded Turntrans51.941.1-179.1-168.338.7000112.5I24 E25 E26 R34 K44I24-N28 PolarHBondContact O-N 3.44Å; E25-N28 PolarHBondContact O-N 3.3Å; E25-N28 VanDerWaalsContact O-N 3.07Å; E26-N28 PolarHBondContact O-N 3.13Å; N28-R34 PolarHBondContact OD1-NH1 3.38Å; N28-K44 WeakPolarHBondContact O-CE 3.26Å; N28-K44 PolarHBondContact O-NZ 3.15Å
29L98.3Very high97.1Very high34 Ų3463.5 Ų63.518%0.17830%0.296CS..  trans-88.1-14.6178.7-63.3172.9000111.8Y23 I24 K27 F43 K44Y23-L29 HydrophobicContact CD1-CD1 4.34Å; Y23-L29 HydrophobicContact CE1-CD1 4.05Å; I24-L29 HydrophobicContact CG2-CB 4.24Å; I24-L29 PolarHBondContact O-N 3.18Å; K27-L29 HydrophobicContact CB-CD1 3.83Å; K27-L29 HydrophobicContact CB-CG 3.76Å; K27-L29 PolarHBondContact O-N 3.45Å; L29-F43 CarbonylContact O-C 3.56Å; L29-F43 VanDerWaalsContact O-CA 3.27Å; L29-F43 WeakPolarHBondContact O-CA 3.35Å; L29-K44 PolarHBondContact O-N 2.76Å
30A97.9Very high97.1Very high6 Ų657.7 Ų57.75%0.0528%0.275CS..BIsolated β-bridgetrans-72.1139.1-17900000113.5I24 R34 V36 N42I24-A30 HydrophobicContact CG2-CB 3.79Å; A30-R34 HydrophobicContact CB-CG 3.88Å; A30-V36 HydrophobicContact CB-CG1 3.67Å; A30-N42 CarbonylContact C-O 3.57Å; A30-N42 VanDerWaalsContact CA-O 3.28Å; A30-N42 WeakPolarHBondContact CA-O 3.4Å
31N97.5Very high97Very high62 Ų6257.7 Ų57.733%0.33228%0.275SS..PPolyproline II helixtrans-95.6163.8159.4-81.5-30.1000110N42 F43N31-N42 HydrophobicContact CB-CB 4.29Å; N31-N42 WeakPolarHBondContact CB-ND2 3.5Å; N31-N42 PolarHBondContact N-O 2.58Å; N31-F43 VanDerWaalsContact ND2-C 3.28Å; N31-F43 PolarHBondContact ND2-O 2.77Å
32F94.4Very high97Very high170 Ų17058.6 Ų58.675%0.74628%0.279SS*.SBendtrans-60.4137.2172.4-179.8-89.5000110.8N42F32-N42 PolarHBondContact O-ND2 2.91Å
33P94.5Very high97Very high24 Ų2456.1 Ų56.116%0.15627%0.266CS..SBendcis-81.9140.1932.2-35.9000114.5
34R93.8Very high97Very high95 Ų9558.5 Ų58.536%0.35828%0.277SS..  trans-118.1155.3172.3-66.4-172.181.3169.113.9111.4E25 N28 A30E25-R34 PolarHBondContact O-NH2 2.61Å; E25-R34 VanDerWaalsContact O-NH2 3.09Å; E25-R34 IonicContact OE1-NE 3.56Å; E25-R34 IonicContact OE2-CZ 2.89Å; E25-R34 IonicContact OE2-NE 2.62Å; E25-R34 PolarHBondContact OE2-NE 2.8Å; E25-R34 IonicContact OE2-NH2 2.73Å; E25-R34 PolarHBondContact OE2-NH2 3.2Å; N28-R34 PolarHBondContact OD1-NH1 3.38Å; A30-R34 HydrophobicContact CB-CG 3.88Å
35P95.4Very high97Very high78 Ų7860.3 Ų60.351%0.50630%0.297SS..  cis-68.4159.8-10.231.2-35.7000111.8E25 H37E25-P35 WeakPolarHBondContact OE1-CA 3.49Å; P35-H37 VanDerWaalsContact C-N 3.28Å
36V96.7Very high97Very high1 Ų158.6 Ų58.61%0.00629%0.289CS..  trans-76-13.7178.8-61.70000113.3W21 I24 E25 A30 N38 R39 P41W21-V36 HydrophobicContact CB-CG2 4.02Å; W21-V36 HydrophobicContact CG-CG2 4.14Å; W21-V36 PolarHBondContact NE1-O 3.4Å; W21-V36 VanDerWaalsContact NE1-O 3.15Å; I24-V36 HydrophobicContact CB-CG2 4.28Å; I24-V36 HydrophobicContact CG2-CG1 4.14Å; I24-V36 HydrophobicContact CG2-CG2 3.98Å; E25-V36 HydrophobicContact CG-CG2 3.95Å; E25-V36 WeakPolarHBondContact OE1-CG2 3.46Å; E25-V36 PolarHBondContact OE1-N 3.1Å; A30-V36 HydrophobicContact CB-CG1 3.67Å; V36-N38 PolarHBondContact O-N 3.45Å; V36-R39 WeakPolarHBondContact O-CA 3.29Å; V36-R39 VanDerWaalsContact O-CB 3.29Å; V36-R39 WeakPolarHBondContact O-CB 3.45Å; V36-R39 PolarHBondContact O-N 3.02Å; V36-P41 HydrophobicContact CB-CB 4.1Å; V36-P41 HydrophobicContact CB-CG 4.38Å; V36-P41 HydrophobicContact CG1-CB 4.06Å; V36-P41 HydrophobicContact CG2-CB 4.49Å
37H96.9Very high97Very high45 Ų4556.6 Ų56.621%0.20828%0.279CS..THydrogen-bonded Turntrans-52.7137176.2-62.675.8000112.2W21 D22 P35 R39W21-H37 HydrophobicContact CD2-CB 4.42Å; W21-H37 HydrophobicContact CE3-CB 4.3Å; W21-H37 AromaticContact CE3-CD2 3.96Å; D22-H37 IonicContact OD1-CD2 3.66Å; D22-H37 IonicContact OD1-CE1 2.78Å; D22-H37 PolarHBondContact OD1-CE1 3.35Å; D22-H37 IonicContact OD1-NE2 2.7Å; D22-H37 PolarHBondContact OD1-NE2 3Å; P35-H37 VanDerWaalsContact C-N 3.28Å; H37-R39 PolarHBondContact O-N 3.14Å
38N94.3Very high97Very high91 Ų9153 Ų5349%0.48728%0.276SS..THydrogen-bonded Turntrans62.320.4-174.7-52.9-55000114.5W21 V36W21-N38 VanDerWaalsContact CH2-N 3.29Å; V36-N38 PolarHBondContact O-N 3.45Å
39R95.8Very high97Very high120 Ų12049.1 Ų49.145%0.45326%0.255SS..SBendtrans-133.3161.6177.9-54.3173.3-179.6-92.2-3.4110.6W21 V36 H37 P41W21-R39 PolarHBondContact NE1-O 3.01Å; V36-R39 WeakPolarHBondContact O-CA 3.29Å; V36-R39 VanDerWaalsContact O-CB 3.29Å; V36-R39 WeakPolarHBondContact O-CB 3.45Å; V36-R39 PolarHBondContact O-N 3.02Å; H37-R39 PolarHBondContact O-N 3.14Å; R39-P41 WeakPolarHBondContact O-CD 3.22Å
40I97.8Very high97Very high10 Ų1047.5 Ų47.55%0.05125%0.247CC..PPolyproline II helixtrans-68.8121.3157.9-54.7-52.2000107N42 D70 P72 S144 V145 K156I40-N42 PolarHBondContact O-N 3.41Å; I40-D70 HydrophobicContact CB-CB 4.11Å; I40-D70 HydrophobicContact CG1-CB 4.26Å; I40-P72 HydrophobicContact CB-CG 4.24Å; I40-P72 HydrophobicContact CG2-CG 3.65Å; I40-S144 WeakPolarHBondContact CG2-O 3.27Å; I40-V145 HydrophobicContact CD1-CG2 4.1Å; I40-K156 HydrophobicContact CD1-CB 4.01Å; I40-K156 HydrophobicContact CD1-CG 4.29Å
41P98.3Very high96.9Very high0 Ų049.7 Ų49.70%026%0.261CS..PPolyproline II helixtrans-59.7125-174.7-25.435.3000111.8I24 V36 R39 F43 P72I24-P41 HydrophobicContact CD1-CB 3.49Å; I24-P41 VanDerWaalsContact CD1-CB 3.49Å; I24-P41 HydrophobicContact CD1-CG 3.68Å; V36-P41 HydrophobicContact CB-CB 4.1Å; V36-P41 HydrophobicContact CB-CG 4.38Å; V36-P41 HydrophobicContact CG1-CB 4.06Å; V36-P41 HydrophobicContact CG2-CB 4.49Å; R39-P41 WeakPolarHBondContact O-CD 3.22Å; P41-F43 WeakPolarHBondContact O-CD1 3.39Å; P41-P72 WeakPolarHBondContact O-CB 3.44Å; P41-P72 WeakPolarHBondContact O-CG 3.36Å
42N98.4Very high97Very high18 Ų1848.1 Ų48.110%0.09625%0.252CS..PPolyproline II helixtrans-84.3126.2162.9-169.413.6000108.1A30 N31 F32 I40 K71A30-N42 CarbonylContact C-O 3.57Å; A30-N42 VanDerWaalsContact CA-O 3.28Å; A30-N42 WeakPolarHBondContact CA-O 3.4Å; N31-N42 HydrophobicContact CB-CB 4.29Å; N31-N42 WeakPolarHBondContact CB-ND2 3.5Å; N31-N42 PolarHBondContact N-O 2.58Å; F32-N42 PolarHBondContact O-ND2 2.91Å; I40-N42 PolarHBondContact O-N 3.41Å; N42-K71 HydrophobicContact CB-CG 4.43Å; N42-K71 WeakPolarHBondContact ND2-CG 3.43Å
43F98.6Very high97.2Very high1 Ų140 Ų400%0.00422%0.216CC..BIsolated β-bridgetrans-128.1157.4-169.659.6-91.6000112.5L29 N31 P41 G45 A46 A49 P72 V183 V184 H185 P210L29-F43 CarbonylContact O-C 3.56Å; L29-F43 VanDerWaalsContact O-CA 3.27Å; L29-F43 WeakPolarHBondContact O-CA 3.35Å; N31-F43 VanDerWaalsContact ND2-C 3.28Å; N31-F43 PolarHBondContact ND2-O 2.77Å; P41-F43 WeakPolarHBondContact O-CD1 3.39Å; F43-G45 PolarHBondContact O-N 3.06Å; F43-A46 HydrophobicContact CD1-CB 4.16Å; F43-A46 HydrophobicContact CD2-CB 3.97Å; F43-A46 HydrophobicContact CE1-CB 3.96Å; F43-A46 HydrophobicContact CE2-CB 3.79Å; F43-A46 HydrophobicContact CG-CB 4.16Å; F43-A46 HydrophobicContact CZ-CB 3.78Å; F43-A46 WeakPolarHBondContact O-CB 3.37Å; F43-A46 PolarHBondContact O-N 2.83Å; F43-A46 VanDerWaalsContact O-N 3.1Å; F43-A49 HydrophobicContact CE2-CB 4.29Å; F43-A49 HydrophobicContact CZ-CB 4.29Å; F43-P72 HydrophobicContact CE1-CB 4.34Å; F43-V183 HydrophobicContact CZ-CG1 4.14Å; F43-V184 VanDerWaalsContact CE1-C 3.44Å; F43-V184 WeakPolarHBondContact CZ-O 3.4Å; F43-H185 HydrophobicContact CB-CB 4.02Å; F43-H185 HydrophobicContact CD1-CB 4.14Å; F43-H185 HydrophobicContact CD2-CB 3.68Å; F43-H185 AromaticContact CD2-CD2 3.81Å; F43-H185 HydrophobicContact CE2-CB 4.14Å; F43-H185 HydrophobicContact CG-CB 3.69Å; F43-P210 HydrophobicContact CD2-CG 4.34Å; F43-P210 HydrophobicContact CE2-CG 3.83Å
44K98.4Very high97.3Very high96 Ų9641.7 Ų41.742%0.41723%0.232SC..THydrogen-bonded Turntrans-61.3124.9173.2-72175.3178.4170.10109.7N28 L29N28-K44 WeakPolarHBondContact O-CE 3.26Å; N28-K44 PolarHBondContact O-NZ 3.15Å; L29-K44 PolarHBondContact O-N 2.76Å
45G98.2Very high97.4Very high39 Ų3943.4 Ų43.440%0.40224%0.244SC..THydrogen-bonded Turntrans91.3-0.7-174.700000115.1F43 F47 G48 A49F43-G45 PolarHBondContact O-N 3.06Å; G45-F47 VanDerWaalsContact C-N 3.28Å; G45-F47 PolarHBondContact O-N 3Å; G45-G48 PolarHBondContact O-N 3.46Å; G45-G48 VanDerWaalsContact O-N 3.1Å; G45-A49 PolarHBondContact O-N 3.33Å
46A98.3Very high97.6Very high4 Ų440.3 Ų40.33%0.03322%0.223CC..Hα-helixtrans-54.5-39.9-179.500000113.9F43 A49 C50 P72F43-A46 HydrophobicContact CD1-CB 4.16Å; F43-A46 HydrophobicContact CD2-CB 3.97Å; F43-A46 HydrophobicContact CE1-CB 3.96Å; F43-A46 HydrophobicContact CE2-CB 3.79Å; F43-A46 HydrophobicContact CG-CB 4.16Å; F43-A46 HydrophobicContact CZ-CB 3.78Å; F43-A46 WeakPolarHBondContact O-CB 3.37Å; F43-A46 PolarHBondContact O-N 2.83Å; F43-A46 VanDerWaalsContact O-N 3.1Å; A46-A49 PolarHBondContact O-N 3.46Å; A46-C50 WeakPolarHBondContact O-CB 3.43Å; A46-C50 PolarHBondContact O-N 3.08Å; A46-C50 PolarHBondContact O-SG 2.91Å; A46-P72 HydrophobicContact CB-CB 4.48Å
47F97.2Very high97.6Very high93 Ų9347.1 Ų47.141%0.40826%0.255SS..Hα-helixtrans-65.9-41.7179.1-158.7-82.7000112.1G45 C50 S51 F78G45-F47 VanDerWaalsContact C-N 3.28Å; G45-F47 PolarHBondContact O-N 3Å; F47-C50 WeakPolarHBondContact O-CB 3.5Å; F47-C50 PolarHBondContact O-N 2.95Å; F47-S51 PolarHBondContact O-N 3.5Å; F47-S51 VanDerWaalsContact O-N 3.08Å; F47-S51 PolarHBondContact O-OG 3.21Å; F47-F78 HydrophobicContact CE1-CD1 4.15Å; F47-F78 HydrophobicContact CE1-CE1 4.47Å; F47-F78 HydrophobicContact CE2-CB 4.48Å; F47-F78 HydrophobicContact CE2-CD1 4.35Å; F47-F78 HydrophobicContact CZ-CB 4.36Å; F47-F78 AromaticContact CZ-CD1 3.45Å; F47-F78 HydrophobicContact CZ-CD1 3.45Å; F47-F78 VanDerWaalsContact CZ-CD1 3.45Å; F47-F78 HydrophobicContact CZ-CE1 4Å; F47-F78 HydrophobicContact CZ-CG 4.03Å
48G97.8Very high97.6Very high45 Ų4546.5 Ų46.546%0.46425%0.254SS..Hα-helixtrans-66.5-41.8176.200000112G45 C50 S51G45-G48 PolarHBondContact O-N 3.46Å; G45-G48 VanDerWaalsContact O-N 3.1Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 3.27Å; G48-S51 PolarHBondContact O-N 3.16Å
49A98.6Very high97.8Very high0 Ų042.6 Ų42.60%023%0.232CC..Hα-helixtrans-61.2-41.2173.800000111.8F43 G45 A46 S51 K52 V183 P210F43-A49 HydrophobicContact CE2-CB 4.29Å; F43-A49 HydrophobicContact CZ-CB 4.29Å; G45-A49 PolarHBondContact O-N 3.33Å; A46-A49 PolarHBondContact O-N 3.46Å; A49-S51 VanDerWaalsContact C-N 3.35Å; A49-S51 PolarHBondContact O-N 3.1Å; A49-K52 WeakPolarHBondContact O-CB 3.46Å; A49-K52 PolarHBondContact O-N 3.01Å; A49-V183 HydrophobicContact CB-CG1 3.63Å; A49-P210 HydrophobicContact CB-CG 4.34Å
50C98.6Very high97.9Very high0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-61.6-39.9175.8-760000113A46 F47 G48 K52 V53 P72 G75 A76A46-C50 WeakPolarHBondContact O-CB 3.43Å; A46-C50 PolarHBondContact O-N 3.08Å; A46-C50 PolarHBondContact O-SG 2.91Å; F47-C50 WeakPolarHBondContact O-CB 3.5Å; F47-C50 PolarHBondContact O-N 2.95Å; G48-C50 VanDerWaalsContact C-N 3.32Å; G48-C50 PolarHBondContact O-N 3.27Å; C50-K52 PolarHBondContact O-N 3.48Å; C50-K52 VanDerWaalsContact O-N 3.16Å; C50-V53 WeakPolarHBondContact O-CB 3.45Å; C50-V53 VanDerWaalsContact O-CG1 3.22Å; C50-V53 WeakPolarHBondContact O-CG1 3.41Å; C50-V53 PolarHBondContact O-N 3.39Å; C50-P72 PolarHBondContact SG-O 2.87Å; C50-G75 VanDerWaalsContact CB-C 3.42Å; C50-A76 HydrophobicContact CB-CB 4.05Å; C50-A76 VanDerWaalsContact CB-N 3.26Å; C50-A76 PolarHBondContact SG-N 2.87Å; C50-A76 VanDerWaalsContact SG-N 3.41Å
51S96.3Very high97.8Very high51 Ų5146.4 Ų46.436%0.35727%0.267SS..Hα-helixtrans-60.7-24.2-178.4-66.30000113F47 G48 A49 V53 A54F47-S51 PolarHBondContact O-N 3.5Å; F47-S51 VanDerWaalsContact O-N 3.08Å; F47-S51 PolarHBondContact O-OG 3.21Å; G48-S51 PolarHBondContact O-N 3.16Å; A49-S51 VanDerWaalsContact C-N 3.35Å; A49-S51 PolarHBondContact O-N 3.1Å; S51-V53 PolarHBondContact O-N 3.41Å; S51-V53 VanDerWaalsContact O-N 3.15Å; S51-A54 WeakPolarHBondContact O-CB 3.25Å; S51-A54 PolarHBondContact O-N 2.95Å
52K98.5Very high97.7Very high30 Ų3046.8 Ų46.813%0.1327%0.27CS..G310 helixtrans-65.4-13.2176-54.9-171.5179.5171.80113.8A49 C50 A54 E55 L208 T209 P210 V213A49-K52 WeakPolarHBondContact O-CB 3.46Å; A49-K52 PolarHBondContact O-N 3.01Å; C50-K52 PolarHBondContact O-N 3.48Å; C50-K52 VanDerWaalsContact O-N 3.16Å; K52-A54 PolarHBondContact O-N 3.47Å; K52-E55 WeakPolarHBondContact CG-OE1 3.3Å; K52-E55 VanDerWaalsContact O-CB 3.3Å; K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.03Å; K52-L208 HydrophobicContact CB-CD1 4.27Å; K52-L208 HydrophobicContact CB-CD2 4.38Å; K52-T209 WeakPolarHBondContact CE-O 3.45Å; K52-T209 PolarHBondContact NZ-O 3.17Å; K52-P210 PolarHBondContact NZ-O 2.88Å; K52-V213 HydrophobicContact CB-CG2 3.97Å; K52-V213 HydrophobicContact CD-CG2 3.73Å; K52-V213 HydrophobicContact CG-CG2 4.42Å
53V98.3Very high97.6Very high0 Ų049.5 Ų49.50%030%0.295CS..G310 helixtrans-57.6-30.7172.475.90000111.4C50 S51 E55 L56 F59 A79 L139 V141 L208C50-V53 WeakPolarHBondContact O-CB 3.45Å; C50-V53 VanDerWaalsContact O-CG1 3.22Å; C50-V53 WeakPolarHBondContact O-CG1 3.41Å; C50-V53 PolarHBondContact O-N 3.39Å; S51-V53 PolarHBondContact O-N 3.41Å; S51-V53 VanDerWaalsContact O-N 3.15Å; V53-E55 PolarHBondContact O-N 2.88Å; V53-L56 HydrophobicContact CG2-CD1 4.41Å; V53-L56 WeakPolarHBondContact O-CB 3.35Å; V53-L56 PolarHBondContact O-N 2.84Å; V53-F59 HydrophobicContact CG1-CD2 4.15Å; V53-F59 HydrophobicContact CG1-CE2 3.98Å; V53-F59 HydrophobicContact CG2-CD2 3.92Å; V53-F59 HydrophobicContact CG2-CE2 4.47Å; V53-F59 WeakPolarHBondContact O-CB 3.41Å; V53-F59 WeakPolarHBondContact O-CG 3.44Å; V53-A79 HydrophobicContact CG1-CB 3.9Å; V53-L139 HydrophobicContact CG2-CD2 4.32Å; V53-V141 HydrophobicContact CG2-CG2 4.06Å; V53-L208 HydrophobicContact CB-CD1 3.99Å
54A97.1Very high97.4Very high58 Ų5850.8 Ų50.848%0.47930%0.301SS..G310 helixtrans-70.7-15.117800000113.7S51 K52 L56 F59S51-A54 WeakPolarHBondContact O-CB 3.25Å; S51-A54 PolarHBondContact O-N 2.95Å; K52-A54 PolarHBondContact O-N 3.47Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-F59 HydrophobicContact CB-CD1 4.23Å; A54-F59 HydrophobicContact CB-CE1 4.05Å
55E96.6Very high97.3Very high132 Ų13246.2 Ų46.262%0.61728%0.281SS*.G310 helixtrans-80.1-13.4176.7-58.6169.7-158.300111.9K52 V53K52-E55 WeakPolarHBondContact CG-OE1 3.3Å; K52-E55 VanDerWaalsContact O-CB 3.3Å; K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.03Å; V53-E55 PolarHBondContact O-N 2.88Å
56L98.1Very high97.3Very high12 Ų1244.4 Ų44.46%0.06326%0.262CS..SBendtrans-80.7132.4-177.6-56.4-179.7000111.2V53 A54 T58 F59 A60 V181 Y206 V213V53-L56 HydrophobicContact CG2-CD1 4.41Å; V53-L56 WeakPolarHBondContact O-CB 3.35Å; V53-L56 PolarHBondContact O-N 2.84Å; A54-L56 VanDerWaalsContact C-N 3.29Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.42Å; L56-F59 HydrophobicContact CB-CB 4.25Å; L56-F59 WeakPolarHBondContact O-CB 3.48Å; L56-F59 PolarHBondContact O-N 3.38Å; L56-A60 PolarHBondContact O-N 3.38Å; L56-V181 HydrophobicContact CD1-CG1 4.29Å; L56-V181 HydrophobicContact CD1-CG2 3.54Å; L56-Y206 HydrophobicContact CD1-CG 4.4Å; L56-Y206 HydrophobicContact CD2-CD1 3.8Å; L56-Y206 HydrophobicContact CD2-CE1 3.91Å; L56-Y206 HydrophobicContact CD2-CG 4.17Å; L56-V213 HydrophobicContact CD2-CG1 4.17Å
57Q97.3Very high97.3Very high145 Ų14544.2 Ų44.268%0.67826%0.26SS*.Hα-helixtrans-56-41.8177.2-173.5179.810.700112.3F59 A60 Q61Q57-F59 VanDerWaalsContact C-N 3.25Å; Q57-F59 PolarHBondContact O-N 2.99Å; Q57-A60 WeakPolarHBondContact O-CB 3.33Å; Q57-A60 PolarHBondContact O-N 3.29Å; Q57-A60 VanDerWaalsContact O-N 3.12Å; Q57-Q61 WeakPolarHBondContact O-CG 3.14Å; Q57-Q61 PolarHBondContact O-N 3.34Å; Q57-Q61 VanDerWaalsContact O-N 3.13Å
58T97.4Very high97.3Very high31 Ų3140 Ų4019%0.1924%0.242CC..Hα-helixtrans-60.6-35177.2-47.70000112.2L56 Q61 T62 L139 V179L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.42Å; T58-Q61 PolarHBondContact O-N 2.67Å; T58-T62 VanDerWaalsContact O-CG2 3.32Å; T58-T62 WeakPolarHBondContact O-CG2 3.48Å; T58-T62 PolarHBondContact O-N 2.76Å; T58-L139 HydrophobicContact CG2-CB 4.3Å; T58-L139 HydrophobicContact CG2-CD1 4.45Å; T58-V179 HydrophobicContact CG2-CB 4.02Å; T58-V179 HydrophobicContact CG2-CG2 3.82Å; T58-V179 WeakPolarHBondContact OG1-CG2 3.45Å
59F98.4Very high97.1Very high9 Ų940 Ų404%0.03923%0.234CC..Hα-helixtrans-65.7-41.9175.8-178.8-88.8000111.4V53 A54 L56 Q57 Q61 V65 V80 A83 K85 L139V53-F59 HydrophobicContact CG1-CD2 4.15Å; V53-F59 HydrophobicContact CG1-CE2 3.98Å; V53-F59 HydrophobicContact CG2-CD2 3.92Å; V53-F59 HydrophobicContact CG2-CE2 4.47Å; V53-F59 WeakPolarHBondContact O-CB 3.41Å; V53-F59 WeakPolarHBondContact O-CG 3.44Å; A54-F59 HydrophobicContact CB-CD1 4.23Å; A54-F59 HydrophobicContact CB-CE1 4.05Å; L56-F59 HydrophobicContact CB-CB 4.25Å; L56-F59 WeakPolarHBondContact O-CB 3.48Å; L56-F59 PolarHBondContact O-N 3.38Å; Q57-F59 VanDerWaalsContact C-N 3.25Å; Q57-F59 PolarHBondContact O-N 2.99Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 2.87Å; F59-V65 HydrophobicContact CD2-CG2 4.28Å; F59-V65 HydrophobicContact CE2-CG2 4.32Å; F59-V80 HydrophobicContact CE2-CG2 3.88Å; F59-A83 HydrophobicContact CE1-CB 3.76Å; F59-A83 HydrophobicContact CZ-CB 3.73Å; F59-K85 HydrophobicContact CE1-CD 4.07Å; F59-K85 HydrophobicContact CE2-CD 4.19Å; F59-K85 HydrophobicContact CZ-CD 3.89Å; F59-K85 WeakPolarHBondContact O-CE 3.35Å; F59-K85 PolarHBondContact O-NZ 3.21Å; F59-L139 HydrophobicContact CB-CD2 3.79Å; F59-L139 HydrophobicContact CD2-CD2 3.72Å; F59-L139 HydrophobicContact CG-CD2 4.25Å
60A97.4Very high97Very high71 Ų7141.7 Ų41.759%0.58724%0.243SC*.Hα-helixtrans-59.9-41.8176.500000111.5L56 Q57 K85L56-A60 PolarHBondContact O-N 3.38Å; Q57-A60 WeakPolarHBondContact O-CB 3.33Å; Q57-A60 PolarHBondContact O-N 3.29Å; Q57-A60 VanDerWaalsContact O-N 3.12Å; A60-K85 PolarHBondContact O-NZ 2.88Å
61Q96.8Very high96.9Very high139 Ų13945.4 Ų45.465%0.6526%0.259SS*.Hα-helixtrans-81.8-23.4-172.8-68.1173.1-29.400115Q57 T58 F59Q57-Q61 WeakPolarHBondContact O-CG 3.14Å; Q57-Q61 PolarHBondContact O-N 3.34Å; Q57-Q61 VanDerWaalsContact O-N 3.13Å; T58-Q61 PolarHBondContact O-N 2.67Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 2.87Å
62T96Very high96.9Very high8 Ų843.2 Ų43.25%0.04924%0.244CC..  trans-89.7142.8179.9-1720000112.8T58 E64 V65 K85 L139T58-T62 VanDerWaalsContact O-CG2 3.32Å; T58-T62 WeakPolarHBondContact O-CG2 3.48Å; T58-T62 PolarHBondContact O-N 2.76Å; T62-E64 PolarHBondContact OG1-N 2.72Å; T62-E64 PolarHBondContact OG1-O 2.91Å; T62-V65 HydrophobicContact CG2-CG2 3.59Å; T62-K85 WeakPolarHBondContact O-CD 3.24Å; T62-K85 PolarHBondContact O-NZ 3.1Å; T62-L139 HydrophobicContact CG2-CB 4.04Å; T62-L139 HydrophobicContact CG2-CD2 4.31Å
63A94.8Very high96.9Very high75 Ų7541.8 Ų41.862%0.6224%0.237SC*.SBendtrans-91.2-18.3172.300000113.2K85 T86A63-K85 WeakPolarHBondContact O-CB 3.44Å; A63-T86 PolarHBondContact O-N 3.3Å
64E94.7Very high96.9Very high28 Ų2843.8 Ų43.813%0.13125%0.247CC..EExtended strand (participates in β ladder)trans-131.3131.8-175.9-168166.277.900110.1T62 T86 L88 K101 V135T62-E64 PolarHBondContact OG1-N 2.72Å; T62-E64 PolarHBondContact OG1-O 2.91Å; E64-T86 WeakPolarHBondContact CA-O 3.3Å; E64-T86 HydrophobicContact CG-CG2 3.94Å; E64-T86 VanDerWaalsContact OE2-CG2 3.26Å; E64-T86 WeakPolarHBondContact OE2-CG2 3.47Å; E64-L88 HydrophobicContact CG-CD1 3.79Å; E64-L88 HydrophobicContact CG-CD2 4.44Å; E64-L88 HydrophobicContact CG-CG 3.78Å; E64-L88 WeakPolarHBondContact OE1-CD1 3.5Å; E64-K101 IonicContact OE2-NZ 3.06Å; E64-K101 PolarHBondContact OE2-NZ 2.78Å; E64-V135 WeakPolarHBondContact OE1-CG1 3.41Å
65V97.8Very high96.9Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-131.3131.3-177.2-175.30000109F59 T62 V67 V80 K85 T86 L88 L139 V141F59-V65 HydrophobicContact CD2-CG2 4.28Å; F59-V65 HydrophobicContact CE2-CG2 4.32Å; T62-V65 HydrophobicContact CG2-CG2 3.59Å; V65-V67 HydrophobicContact CG1-CG2 3.96Å; V65-V80 HydrophobicContact CB-CG1 3.99Å; V65-V80 HydrophobicContact CB-CG2 3.71Å; V65-V80 HydrophobicContact CG1-CG2 3.75Å; V65-V80 HydrophobicContact CG2-CG1 4.29Å; V65-V80 HydrophobicContact CG2-CG2 4.09Å; V65-K85 HydrophobicContact CG2-CD 4.42Å; V65-T86 PolarHBondContact N-O 3.29Å; V65-L88 PolarHBondContact O-N 2.72Å; V65-L139 HydrophobicContact CG1-CB 4.24Å; V65-L139 HydrophobicContact CG1-CD2 3.96Å; V65-L139 HydrophobicContact CG1-CG 3.97Å; V65-L139 HydrophobicContact CG2-CB 4.45Å; V65-L139 HydrophobicContact CG2-CD2 4.09Å; V65-V141 HydrophobicContact CG1-CG2 4.29Å
66K97.8Very high97Very high2 Ų234.9 Ų34.91%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-92.2131.2171.3177.2-97.2154.4149.90110.1D68 L88 P90 F99 V137 L139 V140 V141 E164 M168K66-D68 WeakPolarHBondContact CE-OD1 3.26Å; K66-D68 IonicContact NZ-OD1 3.54Å; K66-D68 PolarHBondContact NZ-OD1 3.28Å; K66-L88 CarbonylContact C-O 3.42Å; K66-L88 VanDerWaalsContact CA-O 3.3Å; K66-L88 WeakPolarHBondContact CA-O 3.46Å; K66-L88 HydrophobicContact CB-CB 4.1Å; K66-L88 HydrophobicContact CG-CB 4.37Å; K66-P90 VanDerWaalsContact CE-CG 3.43Å; K66-F99 HydrophobicContact CG-CE1 4.1Å; K66-V137 HydrophobicContact CB-CG1 3.76Å; K66-L139 PolarHBondContact N-O 2.99Å; K66-V140 HydrophobicContact CB-CG2 4.34Å; K66-V140 HydrophobicContact CD-CB 4.32Å; K66-V140 HydrophobicContact CD-CG1 3.75Å; K66-V140 HydrophobicContact CD-CG2 4.08Å; K66-V140 CarbonylContact O-C 3.19Å; K66-V140 WeakPolarHBondContact O-CA 3.42Å; K66-V141 PolarHBondContact O-N 3.31Å; K66-E164 WeakPolarHBondContact CE-OE1 3.2Å; K66-E164 IonicContact NZ-OE1 3.74Å; K66-E164 PolarHBondContact NZ-OE1 2.92Å; K66-E164 IonicContact NZ-OE2 2.92Å; K66-M168 HydrophobicContact CD-CE 4.49Å
67V98.3Very high97.1Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-134.6130.2177.5-174.60000110V65 L73 A76 R77 V80 L87 L88 P90 V141V65-V67 HydrophobicContact CG1-CG2 3.96Å; V67-L73 HydrophobicContact CG1-CB 3.96Å; V67-L73 HydrophobicContact CG1-CD1 4.46Å; V67-A76 HydrophobicContact CG1-CB 4.04Å; V67-R77 HydrophobicContact CB-CG 3.7Å; V67-R77 HydrophobicContact CG1-CG 3.48Å; V67-R77 VanDerWaalsContact CG1-CG 3.48Å; V67-R77 HydrophobicContact CG2-CG 4.36Å; V67-V80 HydrophobicContact CG2-CG2 3.98Å; V67-L87 HydrophobicContact CB-CD1 3.84Å; V67-L87 HydrophobicContact CG2-CD1 3.62Å; V67-L88 PolarHBondContact N-O 3Å; V67-P90 WeakPolarHBondContact O-CD 3.13Å; V67-V141 WeakPolarHBondContact CA-O 3.46Å; V67-V141 HydrophobicContact CB-CB 4.3Å; V67-V141 HydrophobicContact CG1-CB 4.02Å; V67-V141 HydrophobicContact CG1-CG1 4.26Å; V67-V141 HydrophobicContact CG2-CB 4.03Å; V67-V141 HydrophobicContact CG2-CG2 4.1Å
68D96.6Very high97.1Very high5 Ų527.7 Ų27.73%0.02716%0.162CC..  trans-57.7152.6177.3-86.9-3.2000113.1K66 D70 L73 R77 V141 V142 G143K66-D68 WeakPolarHBondContact CE-OD1 3.26Å; K66-D68 IonicContact NZ-OD1 3.54Å; K66-D68 PolarHBondContact NZ-OD1 3.28Å; D68-D70 PolarHBondContact O-N 3.17Å; D68-L73 HydrophobicContact CB-CD1 3.49Å; D68-L73 VanDerWaalsContact CB-CD1 3.49Å; D68-R77 PolarHBondContact O-NH1 3.01Å; D68-V141 PolarHBondContact N-O 3.34Å; D68-V142 WeakPolarHBondContact OD2-CA 3.44Å; D68-V142 WeakPolarHBondContact OD2-CG2 3.43Å; D68-G143 PolarHBondContact OD2-N 3.09Å
69P94.8Very high97.1Very high45 Ų4526.6 Ų26.629%0.29216%0.156SC..  trans-78.3-4-175.732.7-36.2000114V89P69-V89 HydrophobicContact CB-CG1 3.86Å
70D95.1Very high97.1Very high34 Ų3426.1 Ų26.118%0.18215%0.154CC..  trans-58.4146.7-176.7-67.8-69.7000112.2I40 D68 P72 L73 R77I40-D70 HydrophobicContact CB-CB 4.11Å; I40-D70 HydrophobicContact CG1-CB 4.26Å; D68-D70 PolarHBondContact O-N 3.17Å; D70-P72 HydrophobicContact CB-CG 4.23Å; D70-L73 HydrophobicContact CB-CD1 4.5Å; D70-L73 PolarHBondContact O-N 3.5Å; D70-L73 VanDerWaalsContact O-N 3.14Å; D70-R77 PolarHBondContact O-NH1 2.91Å
71K96Very high97.1Very high78 Ų7822.8 Ų22.834%0.33913%0.126SC..G310 helixtrans-57.5-44.2-178.1-173.463.8-176.5174.90114.5N42 L73 E74N42-K71 HydrophobicContact CB-CG 4.43Å; N42-K71 WeakPolarHBondContact ND2-CG 3.43Å; K71-L73 PolarHBondContact O-N 2.91Å; K71-L73 VanDerWaalsContact O-N 3.09Å; K71-E74 IonicContact NZ-OE1 2.62Å; K71-E74 PolarHBondContact NZ-OE1 3.11Å; K71-E74 IonicContact NZ-OE2 2.86Å; K71-E74 PolarHBondContact NZ-OE2 2.8Å; K71-E74 WeakPolarHBondContact O-CB 3.39Å; K71-E74 PolarHBondContact O-N 2.85Å
72P97.5Very high97.2Very high5 Ų520.7 Ų20.73%0.03212%0.116CC..G310 helixtrans-56.2-25.1176.916.6-30.8000114.1I40 P41 F43 A46 C50 D70I40-P72 HydrophobicContact CB-CG 4.24Å; I40-P72 HydrophobicContact CG2-CG 3.65Å; P41-P72 WeakPolarHBondContact O-CB 3.44Å; P41-P72 WeakPolarHBondContact O-CG 3.36Å; F43-P72 HydrophobicContact CE1-CB 4.34Å; A46-P72 HydrophobicContact CB-CB 4.48Å; C50-P72 PolarHBondContact SG-O 2.87Å; D70-P72 HydrophobicContact CB-CG 4.23Å
73L98.3Very high97.2Very high0 Ų022.4 Ų22.40%013%0.131CC..G310 helixtrans-92.36.1-175.7-55.6180000113.9V67 D68 D70 K71 G75 A76 R77 V141 V183V67-L73 HydrophobicContact CG1-CB 3.96Å; V67-L73 HydrophobicContact CG1-CD1 4.46Å; D68-L73 HydrophobicContact CB-CD1 3.49Å; D68-L73 VanDerWaalsContact CB-CD1 3.49Å; D70-L73 HydrophobicContact CB-CD1 4.5Å; D70-L73 PolarHBondContact O-N 3.5Å; D70-L73 VanDerWaalsContact O-N 3.14Å; K71-L73 PolarHBondContact O-N 2.91Å; K71-L73 VanDerWaalsContact O-N 3.09Å; L73-G75 PolarHBondContact O-N 2.76Å; L73-A76 PolarHBondContact O-N 2.86Å; L73-R77 PolarHBondContact O-N 2.85Å; L73-V141 HydrophobicContact CD2-CG1 4.14Å; L73-V183 HydrophobicContact CD2-CB 3.68Å; L73-V183 HydrophobicContact CD2-CG2 3.86Å
74E98Very high97.3Very high43 Ų4324 Ų2420%0.20113%0.126CC..Hα-helixtrans-58.2-36175.2-172.4166.1107.300112.5K71 A76 R77 F78K71-E74 IonicContact NZ-OE1 2.62Å; K71-E74 PolarHBondContact NZ-OE1 3.11Å; K71-E74 IonicContact NZ-OE2 2.86Å; K71-E74 PolarHBondContact NZ-OE2 2.8Å; K71-E74 WeakPolarHBondContact O-CB 3.39Å; K71-E74 PolarHBondContact O-N 2.85Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.4Å; E74-R77 VanDerWaalsContact CA-NH2 3.26Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-R77 IonicContact OE2-NH2 3.3Å; E74-F78 WeakPolarHBondContact O-CB 3.45Å; E74-F78 PolarHBondContact O-N 2.55Å
75G98.3Very high97.4Very high2 Ų224.1 Ų24.12%0.02113%0.126CC..Hα-helixtrans-63.9-36.2174.100000112.8C50 L73 F78 A79C50-G75 VanDerWaalsContact CB-C 3.42Å; L73-G75 PolarHBondContact O-N 2.76Å; G75-F78 PolarHBondContact O-N 3.48Å; G75-A79 WeakPolarHBondContact O-CB 3.5Å; G75-A79 PolarHBondContact O-N 3.33Å
76A98.6Very high97.3Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-72.4-42.4179.700000110.5C50 V67 L73 E74 F78 A79 V80 V141C50-A76 HydrophobicContact CB-CB 4.05Å; C50-A76 VanDerWaalsContact CB-N 3.26Å; C50-A76 PolarHBondContact SG-N 2.87Å; C50-A76 VanDerWaalsContact SG-N 3.41Å; V67-A76 HydrophobicContact CG1-CB 4.04Å; L73-A76 PolarHBondContact O-N 2.86Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.4Å; A76-F78 VanDerWaalsContact C-N 3.28Å; A76-F78 PolarHBondContact O-N 3.2Å; A76-A79 PolarHBondContact O-N 3Å; A76-A79 VanDerWaalsContact O-N 3.17Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.84Å; A76-V141 HydrophobicContact CB-CG1 4.08Å
77R98.6Very high97.3Very high1 Ų125.1 Ų25.10%0.00413%0.133CC..Hα-helixtrans-57.3-43.7171.3-68.9-168-59.5-84.5-2.4111.6V67 D68 D70 L73 E74 V80 L81 L87 A117V67-R77 HydrophobicContact CB-CG 3.7Å; V67-R77 HydrophobicContact CG1-CG 3.48Å; V67-R77 VanDerWaalsContact CG1-CG 3.48Å; V67-R77 HydrophobicContact CG2-CG 4.36Å; D68-R77 PolarHBondContact O-NH1 3.01Å; D70-R77 PolarHBondContact O-NH1 2.91Å; L73-R77 PolarHBondContact O-N 2.85Å; E74-R77 VanDerWaalsContact CA-NH2 3.26Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-R77 IonicContact OE2-NH2 3.3Å; R77-V80 PolarHBondContact O-N 2.78Å; R77-L81 WeakPolarHBondContact O-CG 3.24Å; R77-L81 PolarHBondContact O-N 2.78Å; R77-L87 HydrophobicContact CB-CD1 4.42Å; R77-L87 HydrophobicContact CB-CD2 3.73Å; R77-L87 HydrophobicContact CG-CD1 4.06Å; R77-L87 HydrophobicContact CG-CD2 3.93Å; R77-A117 HydrophobicContact CB-CB 3.91Å; R77-A117 PolarHBondContact NE-O 3.1Å; R77-A117 PolarHBondContact NH2-O 3.43Å; R77-A117 VanDerWaalsContact NH2-O 3.14Å
78F98.3Very high97.3Very high5 Ų525.1 Ų25.12%0.02213%0.133CC..Hα-helixtrans-63.2-44175.5172.7-98.8000112.2F47 E74 G75 A76 V80 L81 Q82 K110 L113 R114 A117F47-F78 HydrophobicContact CE1-CD1 4.15Å; F47-F78 HydrophobicContact CE1-CE1 4.47Å; F47-F78 HydrophobicContact CE2-CB 4.48Å; F47-F78 HydrophobicContact CE2-CD1 4.35Å; F47-F78 HydrophobicContact CZ-CB 4.36Å; F47-F78 AromaticContact CZ-CD1 3.45Å; F47-F78 HydrophobicContact CZ-CD1 3.45Å; F47-F78 VanDerWaalsContact CZ-CD1 3.45Å; F47-F78 HydrophobicContact CZ-CE1 4Å; F47-F78 HydrophobicContact CZ-CG 4.03Å; E74-F78 WeakPolarHBondContact O-CB 3.45Å; E74-F78 PolarHBondContact O-N 2.55Å; G75-F78 PolarHBondContact O-N 3.48Å; A76-F78 VanDerWaalsContact C-N 3.28Å; A76-F78 PolarHBondContact O-N 3.2Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-V80 PolarHBondContact O-N 2.81Å; F78-L81 PolarHBondContact O-N 2.92Å; F78-Q82 HydrophobicContact CE1-CB 4.29Å; F78-Q82 HydrophobicContact CZ-CB 4.23Å; F78-Q82 HydrophobicContact CZ-CG 4.36Å; F78-Q82 VanDerWaalsContact O-CB 3.24Å; F78-Q82 WeakPolarHBondContact O-CB 3.19Å; F78-Q82 PolarHBondContact O-N 3.35Å; F78-K110 HydrophobicContact CE2-CG 4.05Å; F78-K110 HydrophobicContact CZ-CD 4.35Å; F78-K110 HydrophobicContact CZ-CG 3.63Å; F78-L113 HydrophobicContact CD2-CB 4.19Å; F78-L113 HydrophobicContact CE2-CB 3.94Å; F78-R114 HydrophobicContact CD2-CB 4.27Å; F78-R114 HydrophobicContact CD2-CG 3.54Å; F78-R114 HydrophobicContact CE2-CB 4.45Å; F78-R114 HydrophobicContact CE2-CG 3.49Å; F78-R114 VanDerWaalsContact CE2-CG 3.49Å; F78-R114 HydrophobicContact CG-CG 4.35Å; F78-R114 HydrophobicContact CZ-CG 4.28Å; F78-A117 HydrophobicContact CB-CB 3.77Å
79A98.3Very high97.2Very high8 Ų825 Ų257%0.06613%0.132CC..Hα-helixtrans-60.9-41.1178.600000112.4V53 G75 A76 Q82 A83V53-A79 HydrophobicContact CG1-CB 3.9Å; G75-A79 WeakPolarHBondContact O-CB 3.5Å; G75-A79 PolarHBondContact O-N 3.33Å; A76-A79 PolarHBondContact O-N 3Å; A76-A79 VanDerWaalsContact O-N 3.17Å; A79-Q82 PolarHBondContact O-N 2.85Å; A79-A83 WeakPolarHBondContact O-CB 3.5Å; A79-A83 PolarHBondContact O-N 2.88Å
80V98.4Very high97Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-58.1-53.3174173.20000110.9F59 V65 V67 A76 R77 F78 Q82 A83 K85 L87F59-V80 HydrophobicContact CE2-CG2 3.88Å; V65-V80 HydrophobicContact CB-CG1 3.99Å; V65-V80 HydrophobicContact CB-CG2 3.71Å; V65-V80 HydrophobicContact CG1-CG2 3.75Å; V65-V80 HydrophobicContact CG2-CG1 4.29Å; V65-V80 HydrophobicContact CG2-CG2 4.09Å; V67-V80 HydrophobicContact CG2-CG2 3.98Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.84Å; R77-V80 PolarHBondContact O-N 2.78Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-V80 PolarHBondContact O-N 2.81Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; V80-Q82 PolarHBondContact O-N 2.97Å; V80-A83 PolarHBondContact O-N 3.35Å; V80-K85 HydrophobicContact CG1-CB 3.88Å; V80-K85 PolarHBondContact O-N 3.36Å; V80-K85 VanDerWaalsContact O-N 3.13Å; V80-L87 HydrophobicContact CB-CD1 4.37Å; V80-L87 HydrophobicContact CG1-CB 3.86Å; V80-L87 HydrophobicContact CG1-CD1 4.2Å; V80-L87 HydrophobicContact CG2-CD1 4.5Å
81L97.7Very high96.5Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-66-37-178.5-67.7176.1000112.3R77 F78 A83 Q84 L87 I102 P104 L113 C116 A117R77-L81 WeakPolarHBondContact O-CG 3.24Å; R77-L81 PolarHBondContact O-N 2.78Å; F78-L81 PolarHBondContact O-N 2.92Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.88Å; L81-Q84 PolarHBondContact O-N 3.34Å; L81-Q84 PolarHBondContact O-NE2 3.03Å; L81-L87 HydrophobicContact CD1-CD2 3.99Å; L81-L87 HydrophobicContact CD2-CB 3.8Å; L81-L87 HydrophobicContact CD2-CD2 4.28Å; L81-L87 HydrophobicContact CG-CB 4.22Å; L81-L87 HydrophobicContact CG-CD2 3.98Å; L81-I102 HydrophobicContact CD1-CG2 4.47Å; L81-I102 HydrophobicContact CD2-CB 4.24Å; L81-I102 HydrophobicContact CD2-CG2 3.77Å; L81-P104 HydrophobicContact CD2-CB 4.23Å; L81-L113 HydrophobicContact CB-CD2 4.17Å; L81-C116 HydrophobicContact CD1-CB 3.62Å; L81-A117 HydrophobicContact CD1-CB 4.24Å
82Q97Very high95.6Very high95 Ų9521.5 Ų21.544%0.44412%0.119SC..Hα-helixtrans-62.6-37.3175.2-173.2174.642.600111.9F78 A79 V80 Q84F78-Q82 HydrophobicContact CE1-CB 4.29Å; F78-Q82 HydrophobicContact CZ-CB 4.23Å; F78-Q82 HydrophobicContact CZ-CG 4.36Å; F78-Q82 VanDerWaalsContact O-CB 3.24Å; F78-Q82 WeakPolarHBondContact O-CB 3.19Å; F78-Q82 PolarHBondContact O-N 3.35Å; A79-Q82 PolarHBondContact O-N 2.85Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; V80-Q82 PolarHBondContact O-N 2.97Å; Q82-Q84 PolarHBondContact O-N 3.42Å
83A96.9Very high94.5Very high45 Ų4527.2 Ų27.237%0.37214%0.14SC..THydrogen-bonded Turntrans-7610174.700000113.8F59 A79 V80 L81 K85F59-A83 HydrophobicContact CE1-CB 3.76Å; F59-A83 HydrophobicContact CZ-CB 3.73Å; A79-A83 WeakPolarHBondContact O-CB 3.5Å; A79-A83 PolarHBondContact O-N 2.88Å; V80-A83 PolarHBondContact O-N 3.35Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 2.88Å; A83-K85 HydrophobicContact CB-CD 4.09Å; A83-K85 HydrophobicContact CB-CG 4.17Å; A83-K85 PolarHBondContact O-N 3.36Å
84Q96.4Very high93.4Very high108 Ų10827.4 Ų27.451%0.50514%0.141SC..THydrogen-bonded Turntrans5828.4-177.1-60.4-62.7-63.900113.8L81 Q82 P104L81-Q84 PolarHBondContact O-N 3.34Å; L81-Q84 PolarHBondContact O-NE2 3.03Å; Q82-Q84 PolarHBondContact O-N 3.42Å; Q84-P104 HydrophobicContact CB-CG 4.45Å
85K97.2Very high92.1Very high30 Ų3032.1 Ų32.113%0.1316%0.157CC..  trans-95.6152.7178.1-64.4174.4-170.7-70.50110.7F59 A60 T62 A63 V65 V80 A83 P104F59-K85 HydrophobicContact CE1-CD 4.07Å; F59-K85 HydrophobicContact CE2-CD 4.19Å; F59-K85 HydrophobicContact CZ-CD 3.89Å; F59-K85 WeakPolarHBondContact O-CE 3.35Å; F59-K85 PolarHBondContact O-NZ 3.21Å; A60-K85 PolarHBondContact O-NZ 2.88Å; T62-K85 WeakPolarHBondContact O-CD 3.24Å; T62-K85 PolarHBondContact O-NZ 3.1Å; A63-K85 WeakPolarHBondContact O-CB 3.44Å; V65-K85 HydrophobicContact CG2-CD 4.42Å; V80-K85 HydrophobicContact CG1-CB 3.88Å; V80-K85 PolarHBondContact O-N 3.36Å; V80-K85 VanDerWaalsContact O-N 3.13Å; A83-K85 HydrophobicContact CB-CD 4.09Å; A83-K85 HydrophobicContact CB-CG 4.17Å; A83-K85 PolarHBondContact O-N 3.36Å; K85-P104 WeakPolarHBondContact O-CD 3.07Å
86T96.5Very high90.6Very high24 Ų2436.5 Ų36.515%0.14719%0.187CC..EExtended strand (participates in β ladder)trans-70.5131.7173.3-61.20000109.7A63 E64 V65 K101A63-T86 PolarHBondContact O-N 3.3Å; E64-T86 WeakPolarHBondContact CA-O 3.3Å; E64-T86 HydrophobicContact CG-CG2 3.94Å; E64-T86 VanDerWaalsContact OE2-CG2 3.26Å; E64-T86 WeakPolarHBondContact OE2-CG2 3.47Å; V65-T86 PolarHBondContact N-O 3.29Å; T86-K101 HydrophobicContact CG2-CD 4.02Å; T86-K101 VanDerWaalsContact CG2-CE 3.5Å; T86-K101 HydrophobicContact CG2-CG 3.71Å
87L97.7Very high89.3Confident0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-104.6124.3177.317363.4000110.3V67 R77 V80 L81 V89 K101 I102V67-L87 HydrophobicContact CB-CD1 3.84Å; V67-L87 HydrophobicContact CG2-CD1 3.62Å; R77-L87 HydrophobicContact CB-CD1 4.42Å; R77-L87 HydrophobicContact CB-CD2 3.73Å; R77-L87 HydrophobicContact CG-CD1 4.06Å; R77-L87 HydrophobicContact CG-CD2 3.93Å; V80-L87 HydrophobicContact CB-CD1 4.37Å; V80-L87 HydrophobicContact CG1-CB 3.86Å; V80-L87 HydrophobicContact CG1-CD1 4.2Å; V80-L87 HydrophobicContact CG2-CD1 4.5Å; L81-L87 HydrophobicContact CD1-CD2 3.99Å; L81-L87 HydrophobicContact CD2-CB 3.8Å; L81-L87 HydrophobicContact CD2-CD2 4.28Å; L81-L87 HydrophobicContact CG-CB 4.22Å; L81-L87 HydrophobicContact CG-CD2 3.98Å; L87-V89 HydrophobicContact CD1-CG2 4.03Å; L87-V89 HydrophobicContact CD2-CG2 3.82Å; L87-V89 HydrophobicContact CG-CG2 3.7Å; L87-K101 WeakPolarHBondContact O-CA 3.49Å; L87-I102 HydrophobicContact CB-CB 4.36Å; L87-I102 HydrophobicContact CD2-CD1 4.29Å; L87-I102 PolarHBondContact N-O 2.78Å; L87-I102 PolarHBondContact O-N 3.2Å
88L96.4Very high88.4Confident0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-101.9126.7167.3-59.3176.9000109.7E64 V65 K66 V67 F99 K101 V135 V137E64-L88 HydrophobicContact CG-CD1 3.79Å; E64-L88 HydrophobicContact CG-CD2 4.44Å; E64-L88 HydrophobicContact CG-CG 3.78Å; E64-L88 WeakPolarHBondContact OE1-CD1 3.5Å; V65-L88 PolarHBondContact O-N 2.72Å; K66-L88 CarbonylContact C-O 3.42Å; K66-L88 VanDerWaalsContact CA-O 3.3Å; K66-L88 WeakPolarHBondContact CA-O 3.46Å; K66-L88 HydrophobicContact CB-CB 4.1Å; K66-L88 HydrophobicContact CG-CB 4.37Å; V67-L88 PolarHBondContact N-O 3Å; L88-F99 HydrophobicContact CB-CB 4.39Å; L88-F99 HydrophobicContact CB-CD1 4.4Å; L88-F99 HydrophobicContact CB-CG 4.27Å; L88-F99 HydrophobicContact CD1-CD2 4.39Å; L88-F99 HydrophobicContact CD2-CB 4.37Å; L88-K101 HydrophobicContact CD2-CB 3.81Å; L88-K101 HydrophobicContact CD2-CD 4.23Å; L88-K101 HydrophobicContact CD2-CG 3.99Å; L88-V135 HydrophobicContact CD1-CG1 3.51Å; L88-V137 HydrophobicContact CD1-CG2 3.76Å
89V95.8Very high88Confident2 Ų237 Ų371%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-122.5125.1176.2-172.10000109.3P69 L87 F99 N100 V122P69-V89 HydrophobicContact CB-CG1 3.86Å; L87-V89 HydrophobicContact CD1-CG2 4.03Å; L87-V89 HydrophobicContact CD2-CG2 3.82Å; L87-V89 HydrophobicContact CG-CG2 3.7Å; V89-F99 CarbonylContact O-C 3.53Å; V89-F99 WeakPolarHBondContact O-CA 3.39Å; V89-N100 PolarHBondContact N-O 2.72Å; V89-N100 WeakPolarHBondContact O-CB 3.4Å; V89-N100 PolarHBondContact O-N 3.15Å; V89-V122 HydrophobicContact CB-CG1 3.91Å; V89-V122 HydrophobicContact CB-CG2 4.43Å; V89-V122 HydrophobicContact CG1-CG1 4.03Å; V89-V122 HydrophobicContact CG1-CG2 4.41Å; V89-V122 HydrophobicContact CG2-CG1 4.24Å; V89-V122 HydrophobicContact CG2-CG2 3.96Å
90P91.3Very high87.7Confident4 Ų437.7 Ų37.73%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-56.2142.2176.4-2635.5000112.4K66 V67 F99 E164K66-P90 VanDerWaalsContact CE-CG 3.43Å; V67-P90 WeakPolarHBondContact O-CD 3.13Å; P90-F99 HydrophobicContact CG-CD1 4.26Å; P90-F99 HydrophobicContact CG-CE1 4.19Å; P90-E164 HydrophobicContact CB-CG 4.48Å; P90-E164 WeakPolarHBondContact CB-OE2 3.44Å; P90-E164 HydrophobicContact CG-CG 4.42Å; P90-E164 WeakPolarHBondContact CG-OE1 3.49Å; P90-E164 WeakPolarHBondContact CG-OE2 3.44Å
91T83.8Confident87.5Confident3 Ų341.1 Ų41.12%0.01821%0.211CC..PPolyproline II helixtrans-67.6142.4173.673.10000109.8R93 L94 G97 L98T91-R93 PolarHBondContact O-N 2.94Å; T91-L94 PolarHBondContact O-N 2.77Å; T91-L94 WeakPolarHBondContact OG1-CA 3.35Å; T91-G97 WeakPolarHBondContact CG2-O 3.43Å; T91-G97 PolarHBondContact OG1-O 3.17Å; T91-L98 PolarHBondContact N-O 3.41Å
92P76.3Confident87.4Confident77 Ų7741.2 Ų41.250%0.521%0.212SC..G310 helixtrans-54.4118.3-179.2-27.635.1000112L94P92-L94 PolarHBondContact O-N 3.03Å; P92-L94 VanDerWaalsContact O-N 3.16Å
93R75.1Confident87.2Confident125 Ų12540.9 Ų40.947%0.47222%0.216SC..G310 helixtrans57.621.7-179.1-53.2178.9176.7-174.2-6.2114T91 R95 Y160T91-R93 PolarHBondContact O-N 2.94Å; R93-R95 VanDerWaalsContact C-N 3.26Å; R93-R95 HydrophobicContact CB-CG 4.23Å; R93-R95 PolarHBondContact O-N 3.47Å; R93-Y160 HydrophobicContact CB-CE1 3.94Å; R93-Y160 HydrophobicContact CB-CE2 4.35Å; R93-Y160 HydrophobicContact CG-CE1 4.48Å; R93-Y160 HydrophobicContact CG-CE2 4Å
94L74.4Confident86.9Confident3 Ų339.3 Ų39.32%0.01620%0.202CC..G310 helixtrans57.632.5175.9-59.1171.7000114.2T91 P92 L163 E164 M167 I239 I241T91-L94 PolarHBondContact O-N 2.77Å; T91-L94 WeakPolarHBondContact OG1-CA 3.35Å; P92-L94 PolarHBondContact O-N 3.03Å; P92-L94 VanDerWaalsContact O-N 3.16Å; L94-L163 HydrophobicContact CD1-CD2 4.44Å; L94-E164 HydrophobicContact CD1-CB 4.23Å; L94-E164 HydrophobicContact CD2-CG 4.23Å; L94-M167 HydrophobicContact CD1-SD 3.93Å; L94-I239 HydrophobicContact CB-CG2 3.64Å; L94-I239 HydrophobicContact CD1-CG2 4.34Å; L94-I241 HydrophobicContact CB-CG2 4.07Å; L94-I241 WeakPolarHBondContact O-CG2 3.46Å
95R71.6Confident86.5Confident143 Ų14337 Ų3754%0.5420%0.197SC..SBendtrans-86.8-23.8-173.3-71.7-176.5177.3-175.5-3.7115.4R93R93-R95 VanDerWaalsContact C-N 3.26Å; R93-R95 HydrophobicContact CB-CG 4.23Å; R93-R95 PolarHBondContact O-N 3.47Å
96S66.9Low86Confident93 Ų9345 Ų4565%0.6524%0.235SC*.SBendtrans-134.222-166.964.80000114
97G70.5Confident85.6Confident16 Ų1647.5 Ų47.517%0.16527%0.265CS..  trans139.4174.9-174.800000111.9T91T91-G97 WeakPolarHBondContact CG2-O 3.43Å; T91-G97 PolarHBondContact OG1-O 3.17Å
98L80.1Confident85.3Confident1 Ų148.3 Ų48.31%0.00527%0.272CS..SBendtrans-83.4-56.8179.6-172.167.7000110.1T91 V129 L131 M167 M171 I241T91-L98 PolarHBondContact N-O 3.41Å; L98-V129 WeakPolarHBondContact CB-O 3.43Å; L98-V129 PolarHBondContact N-O 2.75Å; L98-L131 HydrophobicContact CB-CD2 4.46Å; L98-L131 HydrophobicContact CD1-CD2 4.2Å; L98-L131 HydrophobicContact CD2-CD2 4.27Å; L98-M167 HydrophobicContact CD1-CB 4.44Å; L98-M167 HydrophobicContact CD1-CE 3.84Å; L98-M171 HydrophobicContact CD2-CE 3.55Å; L98-M171 HydrophobicContact CD2-SD 3.49Å; L98-M171 WeakPolarHBondContact CD2-SD 3.46Å; L98-I241 HydrophobicContact CB-CD1 4.02Å
99F88.8Confident85.2Confident0 Ų052.5 Ų52.50%029%0.294CS..EExtended strand (participates in β ladder)trans-128.9161.3178.8-54.8-63.6000112.9K66 L88 V89 P90 P128 V129 E164 M168K66-F99 HydrophobicContact CG-CE1 4.1Å; L88-F99 HydrophobicContact CB-CB 4.39Å; L88-F99 HydrophobicContact CB-CD1 4.4Å; L88-F99 HydrophobicContact CB-CG 4.27Å; L88-F99 HydrophobicContact CD1-CD2 4.39Å; L88-F99 HydrophobicContact CD2-CB 4.37Å; V89-F99 CarbonylContact O-C 3.53Å; V89-F99 WeakPolarHBondContact O-CA 3.39Å; P90-F99 HydrophobicContact CG-CD1 4.26Å; P90-F99 HydrophobicContact CG-CE1 4.19Å; F99-P128 CarbonylContact O-C 3.6Å; F99-P128 WeakPolarHBondContact O-CA 3.47Å; F99-V129 HydrophobicContact CB-CB 4.17Å; F99-V129 PolarHBondContact N-O 2.73Å; F99-V129 PolarHBondContact O-N 2.84Å; F99-E164 HydrophobicContact CE1-CG 4.4Å; F99-M168 HydrophobicContact CE1-SD 4.19Å; F99-M168 HydrophobicContact CE2-CG 4.22Å; F99-M168 HydrophobicContact CE2-SD 4.24Å; F99-M168 HydrophobicContact CZ-CG 3.59Å; F99-M168 HydrophobicContact CZ-SD 3.42Å; F99-M168 WeakPolarHBondContact CZ-SD 3.41Å
100N92.3Very high85.2Confident22 Ų2257.5 Ų57.512%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-104.9120.1158.3-77-33.6000106.8V89 V122 S126V89-N100 PolarHBondContact N-O 2.72Å; V89-N100 WeakPolarHBondContact O-CB 3.4Å; V89-N100 PolarHBondContact O-N 3.15Å; N100-V122 HydrophobicContact CB-CG1 3.87Å; N100-S126 VanDerWaalsContact CB-OG 3.25Å; N100-S126 WeakPolarHBondContact CB-OG 3.42Å; N100-S126 VanDerWaalsContact CG-OG 3.3Å; N100-S126 PolarHBondContact OD1-OG 3.19Å
101K94.4Very high85.4Confident72 Ų7262.7 Ų62.731%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-98.1130.9178.6176169174133.60110.4E64 T86 L87 L88 S126 V127 V129E64-K101 IonicContact OE2-NZ 3.06Å; E64-K101 PolarHBondContact OE2-NZ 2.78Å; T86-K101 HydrophobicContact CG2-CD 4.02Å; T86-K101 VanDerWaalsContact CG2-CE 3.5Å; T86-K101 HydrophobicContact CG2-CG 3.71Å; L87-K101 WeakPolarHBondContact O-CA 3.49Å; L88-K101 HydrophobicContact CD2-CB 3.81Å; L88-K101 HydrophobicContact CD2-CD 4.23Å; L88-K101 HydrophobicContact CD2-CG 3.99Å; K101-S126 CarbonylContact O-C 3.53Å; K101-S126 VanDerWaalsContact O-CA 3.25Å; K101-S126 WeakPolarHBondContact O-CA 3.5Å; K101-S126 WeakPolarHBondContact O-CB 3.35Å; K101-V127 PolarHBondContact N-O 2.8Å; K101-V127 PolarHBondContact O-N 3.13Å; K101-V129 HydrophobicContact CB-CG2 3.6Å; K101-V129 HydrophobicContact CD-CG2 4.35Å
102I95.5Very high85.9Confident2 Ų267.3 Ų67.31%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-123.4116.4173.9-54.2175.5000107.7L81 L87 V122L81-I102 HydrophobicContact CD1-CG2 4.47Å; L81-I102 HydrophobicContact CD2-CB 4.24Å; L81-I102 HydrophobicContact CD2-CG2 3.77Å; L87-I102 HydrophobicContact CB-CB 4.36Å; L87-I102 HydrophobicContact CD2-CD1 4.29Å; L87-I102 PolarHBondContact N-O 2.78Å; L87-I102 PolarHBondContact O-N 3.2Å; I102-V122 HydrophobicContact CD1-CB 4.29Å; I102-V122 HydrophobicContact CD1-CG2 3.88Å
103T93.8Very high86.8Confident89 Ų8963.9 Ų63.955%0.54634%0.339SS..PPolyproline II helixtrans-91.5128.3162.9-55.30000107.2
104P90.8Very high87.8Confident11 Ų1162.2 Ų62.27%0.07133%0.332CS..PPolyproline II helixtrans-57.9131.1-179.118.2-26.1000109.7L81 Q84 K85 Q106 L113L81-P104 HydrophobicContact CD2-CB 4.23Å; Q84-P104 HydrophobicContact CB-CG 4.45Å; K85-P104 WeakPolarHBondContact O-CD 3.07Å; P104-Q106 PolarHBondContact O-N 3.17Å; P104-L113 HydrophobicContact CB-CD2 3.99Å
105P86.6Confident88.8Confident61 Ų6165.7 Ų65.740%0.39635%0.353SS..PPolyproline II helixtrans-63.4139.2-179.7-16.627.5000110.7G107 A108P105-G107 PolarHBondContact O-N 2.85Å; P105-A108 HydrophobicContact CB-CB 4.06Å; P105-A108 HydrophobicContact CG-CB 4.26Å; P105-A108 WeakPolarHBondContact O-CB 3.25Å; P105-A108 PolarHBondContact O-N 3.03Å
106Q88.1Confident89.9Confident197 Ų19759.2 Ų59.292%0.92133%0.33SS*.THydrogen-bonded Turntrans-59.2129.6179.9-169.5177.86.400110.5P104 A108P104-Q106 PolarHBondContact O-N 3.17Å; Q106-A108 PolarHBondContact O-N 3.06Å
107G88.3Confident91.4Very high76 Ų7654.8 Ų54.878%0.78430%0.299SS*.THydrogen-bonded Turntrans70.99.5-178.600000115P105 N109P105-G107 PolarHBondContact O-N 2.85Å; G107-N109 PolarHBondContact O-N 3.31Å
108A91.3Very high92.5Very high17 Ų1755.1 Ų55.114%0.1430%0.299CS..  trans-60.5129.7177.600000111.7P105 Q106 Q112 L113P105-A108 HydrophobicContact CB-CB 4.06Å; P105-A108 HydrophobicContact CG-CB 4.26Å; P105-A108 WeakPolarHBondContact O-CB 3.25Å; P105-A108 PolarHBondContact O-N 3.03Å; Q106-A108 PolarHBondContact O-N 3.06Å; A108-Q112 HydrophobicContact CB-CB 4.2Å; A108-L113 HydrophobicContact CB-CD2 3.74Å; A108-L113 HydrophobicContact CB-CG 4.07Å
109N94.3Very high93Very high88 Ų8857.9 Ų57.947%0.47132%0.318SS..  trans-77.7171.9174.871.940.6000111.7G107 E111 Q112 L113G107-N109 PolarHBondContact O-N 3.31Å; N109-E111 VanDerWaalsContact C-N 3.29Å; N109-E111 PolarHBondContact O-N 3.14Å; N109-E111 PolarHBondContact OD1-N 3.38Å; N109-Q112 PolarHBondContact ND2-OE1 3.12Å; N109-Q112 PolarHBondContact O-N 2.78Å; N109-Q112 PolarHBondContact OD1-N 2.57Å; N109-L113 WeakPolarHBondContact O-CG 3.44Å; N109-L113 PolarHBondContact O-N 2.69Å; N109-L113 VanDerWaalsContact O-N 3.11Å
110K95.1Very high93.1Very high108 Ų10862.9 Ų62.947%0.4734%0.341SS..Hα-helixtrans-56.2-39-176.9-159.8177.9-175.51720113.6F78 R114F78-K110 HydrophobicContact CE2-CG 4.05Å; F78-K110 HydrophobicContact CZ-CD 4.35Å; F78-K110 HydrophobicContact CZ-CG 3.63Å; K110-R114 WeakPolarHBondContact O-CG 3.37Å; K110-R114 PolarHBondContact O-N 3.12Å; K110-R114 VanDerWaalsContact O-N 3.1Å
111E94.9Very high93.1Very high113 Ų11361.8 Ų61.853%0.52834%0.336SS..Hα-helixtrans-71.2-40.2-179-60.1-53.6151.800111.8N109 L113 R114 V115N109-E111 VanDerWaalsContact C-N 3.29Å; N109-E111 PolarHBondContact O-N 3.14Å; N109-E111 PolarHBondContact OD1-N 3.38Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.01Å; E111-R114 WeakPolarHBondContact O-CB 3.47Å; E111-R114 PolarHBondContact O-N 3.19Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 2.61Å; E111-R114 PolarHBondContact OE1-NH1 2.84Å; E111-R114 IonicContact OE2-CZ 3.91Å; E111-R114 IonicContact OE2-NH1 2.8Å; E111-R114 PolarHBondContact OE2-NH1 2.84Å; E111-V115 WeakPolarHBondContact O-CG2 3.38Å; E111-V115 PolarHBondContact O-N 3.35Å
112Q94.4Very high93Very high99 Ų9958.8 Ų58.846%0.46332%0.323SS..Hα-helixtrans-60.5-44.1175.3-70.1169.1-48.500111A108 N109 R114 V115 C116A108-Q112 HydrophobicContact CB-CB 4.2Å; N109-Q112 PolarHBondContact ND2-OE1 3.12Å; N109-Q112 PolarHBondContact O-N 2.78Å; N109-Q112 PolarHBondContact OD1-N 2.57Å; Q112-R114 VanDerWaalsContact C-N 3.32Å; Q112-R114 PolarHBondContact O-N 3.29Å; Q112-V115 WeakPolarHBondContact O-CB 3.37Å; Q112-V115 PolarHBondContact O-N 2.89Å; Q112-V115 VanDerWaalsContact O-N 3.14Å; Q112-C116 PolarHBondContact O-N 2.99Å; Q112-C116 PolarHBondContact O-SG 2.7Å; Q112-C116 VanDerWaalsContact O-SG 3.35Å
113L96.4Very high92.6Very high6 Ų665 Ų653%0.03135%0.35CS..Hα-helixtrans-64.9-34.7177.2-61.4176.3000112.5F78 L81 P104 A108 N109 E111 V115 C116 A117F78-L113 HydrophobicContact CD2-CB 4.19Å; F78-L113 HydrophobicContact CE2-CB 3.94Å; L81-L113 HydrophobicContact CB-CD2 4.17Å; P104-L113 HydrophobicContact CB-CD2 3.99Å; A108-L113 HydrophobicContact CB-CD2 3.74Å; A108-L113 HydrophobicContact CB-CG 4.07Å; N109-L113 WeakPolarHBondContact O-CG 3.44Å; N109-L113 PolarHBondContact O-N 2.69Å; N109-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.01Å; L113-V115 VanDerWaalsContact C-N 3.35Å; L113-C116 PolarHBondContact O-N 2.94Å; L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.49Å
114R95.9Very high92.4Very high90 Ų9065.4 Ų65.434%0.3435%0.349SS..Hα-helixtrans-63.1-41.4172-75.4-172.9-173.2127.4-2.5112.1F78 K110 E111 Q112 A117 S118F78-R114 HydrophobicContact CD2-CB 4.27Å; F78-R114 HydrophobicContact CD2-CG 3.54Å; F78-R114 HydrophobicContact CE2-CB 4.45Å; F78-R114 HydrophobicContact CE2-CG 3.49Å; F78-R114 VanDerWaalsContact CE2-CG 3.49Å; F78-R114 HydrophobicContact CG-CG 4.35Å; F78-R114 HydrophobicContact CZ-CG 4.28Å; K110-R114 WeakPolarHBondContact O-CG 3.37Å; K110-R114 PolarHBondContact O-N 3.12Å; K110-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 WeakPolarHBondContact O-CB 3.47Å; E111-R114 PolarHBondContact O-N 3.19Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 2.61Å; E111-R114 PolarHBondContact OE1-NH1 2.84Å; E111-R114 IonicContact OE2-CZ 3.91Å; E111-R114 IonicContact OE2-NH1 2.8Å; E111-R114 PolarHBondContact OE2-NH1 2.84Å; Q112-R114 VanDerWaalsContact C-N 3.32Å; Q112-R114 PolarHBondContact O-N 3.29Å; R114-A117 PolarHBondContact O-N 2.89Å; R114-S118 PolarHBondContact O-N 2.63Å
115V95.2Very high92.3Very high76 Ų7670.3 Ų70.346%0.46137%0.369SS..Hα-helixtrans-60.2-50.2175.3173.30000109.7E111 Q112 L113 A117 S118 G121 F125E111-V115 WeakPolarHBondContact O-CG2 3.38Å; E111-V115 PolarHBondContact O-N 3.35Å; Q112-V115 WeakPolarHBondContact O-CB 3.37Å; Q112-V115 PolarHBondContact O-N 2.89Å; Q112-V115 VanDerWaalsContact O-N 3.14Å; L113-V115 VanDerWaalsContact C-N 3.35Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.37Å; V115-S118 WeakPolarHBondContact O-CB 3.33Å; V115-S118 PolarHBondContact O-N 3.19Å; V115-S118 PolarHBondContact O-OG 3.29Å; V115-G121 VanDerWaalsContact O-CA 3.3Å; V115-G121 WeakPolarHBondContact O-CA 3.22Å; V115-F125 HydrophobicContact CG1-CE2 3.78Å
116C95.1Very high92.6Very high6 Ų668.5 Ų68.54%0.04136%0.358CS..Hα-helixtrans-57.4-37.4177.9-65.40000113.2L81 Q112 L113 S118 V122L81-C116 HydrophobicContact CD1-CB 3.62Å; Q112-C116 PolarHBondContact O-N 2.99Å; Q112-C116 PolarHBondContact O-SG 2.7Å; Q112-C116 VanDerWaalsContact O-SG 3.35Å; L113-C116 PolarHBondContact O-N 2.94Å; C116-S118 VanDerWaalsContact C-N 3.27Å; C116-S118 PolarHBondContact O-N 2.9Å; C116-V122 PolarHBondContact O-N 3.42Å
117A96.6Very high92.7Very high0 Ų063.8 Ų63.80%034%0.343CS..Hα-helixtrans-71.5-17.5178.500000114.3R77 F78 L81 L113 R114 V115R77-A117 HydrophobicContact CB-CB 3.91Å; R77-A117 PolarHBondContact NE-O 3.1Å; R77-A117 PolarHBondContact NH2-O 3.43Å; R77-A117 VanDerWaalsContact NH2-O 3.14Å; F78-A117 HydrophobicContact CB-CB 3.77Å; L81-A117 HydrophobicContact CD1-CB 4.24Å; L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 3.49Å; R114-A117 PolarHBondContact O-N 2.89Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.37Å
118S95.1Very high92.7Very high24 Ų2464.5 Ų64.517%0.16833%0.333CS..SBendtrans-73.5157.8179.376.80000112R114 V115 C116 Q120 G121 V122R114-S118 PolarHBondContact O-N 2.63Å; V115-S118 WeakPolarHBondContact O-CB 3.33Å; V115-S118 PolarHBondContact O-N 3.19Å; V115-S118 PolarHBondContact O-OG 3.29Å; C116-S118 VanDerWaalsContact C-N 3.27Å; C116-S118 PolarHBondContact O-N 2.9Å; S118-Q120 PolarHBondContact O-N 2.9Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 2.85Å; S118-G121 PolarHBondContact O-N 2.87Å; S118-G121 VanDerWaalsContact O-N 3.12Å; S118-G121 PolarHBondContact OG-N 3.04Å; S118-V122 WeakPolarHBondContact O-CG2 3.45Å; S118-V122 PolarHBondContact O-N 2.8Å
119S91.1Very high92.4Very high58 Ų5864.5 Ų64.541%0.40633%0.332SS..Hα-helixtrans-59.9-25.2175.9-49.80000113.7K123S119-K123 WeakPolarHBondContact O-CG 3.42Å
120Q89.9Confident91.8Very high105 Ų10561.5 Ų61.549%0.49132%0.322SS..Hα-helixtrans-79.1-45.4175.1-173.557.246.300110.3S118 V122 K123 D124S118-Q120 PolarHBondContact O-N 2.9Å; S118-Q120 VanDerWaalsContact O-N 3.12Å; S118-Q120 PolarHBondContact OG-N 2.85Å; Q120-V122 VanDerWaalsContact C-N 3.29Å; Q120-V122 PolarHBondContact O-N 2.92Å; Q120-K123 WeakPolarHBondContact O-CA 3.38Å; Q120-K123 WeakPolarHBondContact O-CB 3.37Å; Q120-K123 PolarHBondContact O-N 3.44Å; Q120-D124 WeakPolarHBondContact CG-OD2 3.26Å; Q120-D124 PolarHBondContact NE2-OD1 2.89Å; Q120-D124 PolarHBondContact NE2-OD2 2.73Å; Q120-D124 PolarHBondContact O-N 3.17Å
121G91.8Very high91Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-62.8-35.1176.800000113.4V115 S118 K123 D124 F125V115-G121 VanDerWaalsContact O-CA 3.3Å; V115-G121 WeakPolarHBondContact O-CA 3.22Å; S118-G121 PolarHBondContact O-N 2.87Å; S118-G121 VanDerWaalsContact O-N 3.12Å; S118-G121 PolarHBondContact OG-N 3.04Å; G121-K123 PolarHBondContact O-N 3.18Å; G121-D124 PolarHBondContact O-N 3.39Å; G121-F125 WeakPolarHBondContact O-CB 3.49Å; G121-F125 WeakPolarHBondContact O-CD2 3.33Å; G121-F125 PolarHBondContact O-N 2.94Å
122V91.9Very high90.2Very high8 Ų857.8 Ų57.85%0.04831%0.31CS..Hα-helixtrans-58.4-36.41711740000111.4V89 N100 I102 C116 S118 Q120 S126V89-V122 HydrophobicContact CB-CG1 3.91Å; V89-V122 HydrophobicContact CB-CG2 4.43Å; V89-V122 HydrophobicContact CG1-CG1 4.03Å; V89-V122 HydrophobicContact CG1-CG2 4.41Å; V89-V122 HydrophobicContact CG2-CG1 4.24Å; V89-V122 HydrophobicContact CG2-CG2 3.96Å; N100-V122 HydrophobicContact CB-CG1 3.87Å; I102-V122 HydrophobicContact CD1-CB 4.29Å; I102-V122 HydrophobicContact CD1-CG2 3.88Å; C116-V122 PolarHBondContact O-N 3.42Å; S118-V122 WeakPolarHBondContact O-CG2 3.45Å; S118-V122 PolarHBondContact O-N 2.8Å; Q120-V122 VanDerWaalsContact C-N 3.29Å; Q120-V122 PolarHBondContact O-N 2.92Å; V122-S126 WeakPolarHBondContact O-CB 3.34Å; V122-S126 PolarHBondContact O-OG 2.91Å
123K88.9Confident89.4Confident133 Ų13354.6 Ų54.658%0.57830%0.301SS*.Hα-helixtrans-74.3-37.9177.1-65.5171.2-174.7175.90112.3S119 Q120 G121S119-K123 WeakPolarHBondContact O-CG 3.42Å; Q120-K123 WeakPolarHBondContact O-CA 3.38Å; Q120-K123 WeakPolarHBondContact O-CB 3.37Å; Q120-K123 PolarHBondContact O-N 3.44Å; G121-K123 PolarHBondContact O-N 3.18Å
124D88.8Confident88.8Confident97 Ų9764.8 Ų64.852%0.51935%0.345SS..Hα-helixtrans-87.3-25.5-169.3-61.7-18.8000113.2Q120 G121Q120-D124 WeakPolarHBondContact CG-OD2 3.26Å; Q120-D124 PolarHBondContact NE2-OD1 2.89Å; Q120-D124 PolarHBondContact NE2-OD2 2.73Å; Q120-D124 PolarHBondContact O-N 3.17Å; G121-D124 PolarHBondContact O-N 3.39Å
125F89.3Confident88.2Confident115 Ų11561.6 Ų61.650%0.50434%0.335SS..Hα-helixtrans-123.76.9-170.2-57.1-72.1000114.4V115 G121V115-F125 HydrophobicContact CG1-CE2 3.78Å; G121-F125 WeakPolarHBondContact O-CB 3.49Å; G121-F125 WeakPolarHBondContact O-CD2 3.33Å; G121-F125 PolarHBondContact O-N 2.94Å
126S91.7Very high88Confident23 Ų2363.9 Ų63.916%0.16134%0.339CS..  trans-99.9160.5178.272.80000113.3N100 K101 V122N100-S126 VanDerWaalsContact CB-OG 3.25Å; N100-S126 WeakPolarHBondContact CB-OG 3.42Å; N100-S126 VanDerWaalsContact CG-OG 3.3Å; N100-S126 PolarHBondContact OD1-OG 3.19Å; K101-S126 CarbonylContact O-C 3.53Å; K101-S126 VanDerWaalsContact O-CA 3.25Å; K101-S126 WeakPolarHBondContact O-CA 3.5Å; K101-S126 WeakPolarHBondContact O-CB 3.35Å; V122-S126 WeakPolarHBondContact O-CB 3.34Å; V122-S126 PolarHBondContact O-OG 2.91Å
127V90.7Very high87.9Confident98 Ų9863.6 Ų63.659%0.59434%0.337SS*.EExtended strand (participates in β ladder)trans-109.5130.4170.1-177.80000108.4K101K101-V127 PolarHBondContact N-O 2.8Å; K101-V127 PolarHBondContact O-N 3.13Å
128P88.6Confident87.9Confident91 Ų9166.1 Ų66.159%0.59135%0.35SS*.EExtended strand (participates in β ladder)trans-67.8144.3178.728.1-34.5000111.5F99F99-P128 CarbonylContact O-C 3.6Å; F99-P128 WeakPolarHBondContact O-CA 3.47Å
129V85.1Confident88.1Confident17 Ų1765 Ų6510%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-124.5124.2178-177.90000108.8L98 F99 K101 A133 V135L98-V129 WeakPolarHBondContact CB-O 3.43Å; L98-V129 PolarHBondContact N-O 2.75Å; F99-V129 HydrophobicContact CB-CB 4.17Å; F99-V129 PolarHBondContact N-O 2.73Å; F99-V129 PolarHBondContact O-N 2.84Å; K101-V129 HydrophobicContact CB-CG2 3.6Å; K101-V129 HydrophobicContact CD-CG2 4.35Å; V129-A133 HydrophobicContact CG1-CB 3.27Å; V129-V135 HydrophobicContact CG1-CG2 3.91Å
130G80.9Confident88.4Confident25 Ų2562.2 Ų62.226%0.25832%0.323SS..  trans-90.4-179.2-178.900000114.1D132 A133G130-D132 PolarHBondContact O-N 2.81Å; G130-A133 WeakPolarHBondContact O-CB 3.4Å; G130-A133 PolarHBondContact O-N 2.87Å
131L78.3Confident88.9Confident16 Ų1657.2 Ų57.28%0.08430%0.3CS..THydrogen-bonded Turntrans-68-17.7177-63.3180000113.8L98 A133 M167 M171 I241 K244 L245L98-L131 HydrophobicContact CB-CD2 4.46Å; L98-L131 HydrophobicContact CD1-CD2 4.2Å; L98-L131 HydrophobicContact CD2-CD2 4.27Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-M167 HydrophobicContact CD2-CE 3.84Å; L131-M171 HydrophobicContact CB-CE 4.44Å; L131-M171 HydrophobicContact CB-SD 4.24Å; L131-M171 HydrophobicContact CD2-CE 4.39Å; L131-M171 HydrophobicContact CD2-SD 3.35Å; L131-M171 WeakPolarHBondContact CD2-SD 3.39Å; L131-M171 HydrophobicContact CG-SD 4.39Å; L131-M171 WeakPolarHBondContact O-CE 3.43Å; L131-I241 HydrophobicContact CD1-CD1 4.35Å; L131-I241 HydrophobicContact CD1-CG1 3.67Å; L131-I241 HydrophobicContact CD2-CD1 3.7Å; L131-I241 HydrophobicContact CD2-CG1 3.78Å; L131-I241 HydrophobicContact CG-CD1 3.8Å; L131-I241 HydrophobicContact CG-CG1 3.69Å; L131-K244 HydrophobicContact CD1-CB 4Å; L131-K244 HydrophobicContact CD1-CD 4.04Å; L131-K244 HydrophobicContact CD1-CG 3.95Å; L131-L245 HydrophobicContact CD1-CB 4.05Å
132D78Confident89.2Confident126 Ų12657.2 Ų57.267%0.67430%0.3SS*.THydrogen-bonded Turntrans-84.6-10.9-179.551.8-54.8000112.8G130 K134G130-D132 PolarHBondContact O-N 2.81Å; D132-K134 PolarHBondContact O-N 3.36Å
133A79.1Confident89.4Confident32 Ų3256.9 Ų56.926%0.26430%0.298SS..SBendtrans-72.6130.4177.700000111.1V129 G130 L131 V135V129-A133 HydrophobicContact CG1-CB 3.27Å; G130-A133 WeakPolarHBondContact O-CB 3.4Å; G130-A133 PolarHBondContact O-N 2.87Å; L131-A133 VanDerWaalsContact C-N 3.34Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 HydrophobicContact CB-CG2 3.82Å; A133-V135 PolarHBondContact O-N 3.45Å
134K82Confident89.9Confident221 Ų22150.5 Ų50.596%0.96127%0.27SS*.  trans-80.278.8171.8-63.5-176-178.6-178.50109.5D132D132-K134 PolarHBondContact O-N 3.36Å
135V83.4Confident90.4Very high22 Ų2245.9 Ų45.913%0.13325%0.245CC..  trans-97.1137.4177.2179.90000108.6E64 L88 V129 A133 V137 A173E64-V135 WeakPolarHBondContact OE1-CG1 3.41Å; L88-V135 HydrophobicContact CD1-CG1 3.51Å; V129-V135 HydrophobicContact CG1-CG2 3.91Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 HydrophobicContact CB-CG2 3.82Å; A133-V135 PolarHBondContact O-N 3.45Å; V135-V137 HydrophobicContact CG1-CG2 3.68Å; V135-A173 WeakPolarHBondContact O-CA 3.13Å; V135-A173 WeakPolarHBondContact O-CB 3.2Å
136K90.8Very high90.8Very high125 Ų12540.4 Ų40.454%0.54322%0.221SC..  trans-123.8124.7168-173.8-176177.7-164.70108.4D138K136-D138 VanDerWaalsContact CE-OD1 3.29Å; K136-D138 WeakPolarHBondContact CE-OD1 3.37Å; K136-D138 IonicContact NZ-OD1 2.67Å
137V94.2Very high91.2Very high0 Ų039.3 Ų39.30%021%0.214CC..  trans-116.7112.5-176.8-174.80000109.3K66 L88 V135 L139 V140 A173 V174 T178K66-V137 HydrophobicContact CB-CG1 3.76Å; L88-V137 HydrophobicContact CD1-CG2 3.76Å; V135-V137 HydrophobicContact CG1-CG2 3.68Å; V137-L139 VanDerWaalsContact CG1-O 3.24Å; V137-L139 WeakPolarHBondContact CG1-O 3.3Å; V137-V140 HydrophobicContact CG1-CG2 3.78Å; V137-A173 PolarHBondContact N-O 3.24Å; V137-V174 HydrophobicContact CB-CG1 3.99Å; V137-T178 WeakPolarHBondContact O-CG2 3.17Å; V137-T178 PolarHBondContact O-OG1 2.97Å
138D96.8Very high91.5Very high52 Ų5234.9 Ų34.928%0.27819%0.187SC..SBendtrans-91.7-15177.8-59.1-52.7000112.4K136 V179K136-D138 VanDerWaalsContact CE-OD1 3.29Å; K136-D138 WeakPolarHBondContact CE-OD1 3.37Å; K136-D138 IonicContact NZ-OD1 2.67Å; D138-V179 PolarHBondContact O-N 3.07Å
139L98.5Very high91.9Very high0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-138.4122.9179.1-175.462.2000112.5V53 T58 F59 T62 V65 K66 V137 V179 V181V53-L139 HydrophobicContact CG2-CD2 4.32Å; T58-L139 HydrophobicContact CG2-CB 4.3Å; T58-L139 HydrophobicContact CG2-CD1 4.45Å; F59-L139 HydrophobicContact CB-CD2 3.79Å; F59-L139 HydrophobicContact CD2-CD2 3.72Å; F59-L139 HydrophobicContact CG-CD2 4.25Å; T62-L139 HydrophobicContact CG2-CB 4.04Å; T62-L139 HydrophobicContact CG2-CD2 4.31Å; V65-L139 HydrophobicContact CG1-CB 4.24Å; V65-L139 HydrophobicContact CG1-CD2 3.96Å; V65-L139 HydrophobicContact CG1-CG 3.97Å; V65-L139 HydrophobicContact CG2-CB 4.45Å; V65-L139 HydrophobicContact CG2-CD2 4.09Å; K66-L139 PolarHBondContact N-O 2.99Å; V137-L139 VanDerWaalsContact CG1-O 3.24Å; V137-L139 WeakPolarHBondContact CG1-O 3.3Å; L139-V179 WeakPolarHBondContact CA-O 3.42Å; L139-V179 HydrophobicContact CD1-CB 3.96Å; L139-V179 HydrophobicContact CD1-CG1 3.84Å; L139-V181 HydrophobicContact CD1-CG2 3.58Å
140V98.6Very high92.5Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-117.4128177.4168.60000109.6K66 V137 V142 W165 M168 V174 T178 V179 V180 V181K66-V140 HydrophobicContact CB-CG2 4.34Å; K66-V140 HydrophobicContact CD-CB 4.32Å; K66-V140 HydrophobicContact CD-CG1 3.75Å; K66-V140 HydrophobicContact CD-CG2 4.08Å; K66-V140 CarbonylContact O-C 3.19Å; K66-V140 WeakPolarHBondContact O-CA 3.42Å; V137-V140 HydrophobicContact CG1-CG2 3.78Å; V140-V142 HydrophobicContact CG1-CB 4.35Å; V140-W165 HydrophobicContact CB-CZ3 4.48Å; V140-W165 HydrophobicContact CG2-CE3 4.41Å; V140-W165 HydrophobicContact CG2-CZ3 4.05Å; V140-M168 HydrophobicContact CG2-CE 4.36Å; V140-V174 HydrophobicContact CG2-CG1 4.41Å; V140-T178 HydrophobicContact CG2-CG2 3.93Å; V140-V179 PolarHBondContact N-O 3.31Å; V140-V180 HydrophobicContact CG1-CG1 4.38Å; V140-V180 CarbonylContact O-C 3.41Å; V140-V180 WeakPolarHBondContact O-CA 3.46Å; V140-V181 PolarHBondContact O-N 3.37Å
141V98.8Very high93.3Very high1 Ų138.1 Ų38.11%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-109.9119.1171-173.80000109.6V53 V65 K66 V67 D68 L73 A76 V181 V183V53-V141 HydrophobicContact CG2-CG2 4.06Å; V65-V141 HydrophobicContact CG1-CG2 4.29Å; K66-V141 PolarHBondContact O-N 3.31Å; V67-V141 WeakPolarHBondContact CA-O 3.46Å; V67-V141 HydrophobicContact CB-CB 4.3Å; V67-V141 HydrophobicContact CG1-CB 4.02Å; V67-V141 HydrophobicContact CG1-CG1 4.26Å; V67-V141 HydrophobicContact CG2-CB 4.03Å; V67-V141 HydrophobicContact CG2-CG2 4.1Å; D68-V141 PolarHBondContact N-O 3.34Å; L73-V141 HydrophobicContact CD2-CG1 4.14Å; A76-V141 HydrophobicContact CB-CG1 4.08Å; V141-V181 CarbonylContact C-O 3.55Å; V141-V181 VanDerWaalsContact CA-O 3.3Å; V141-V181 WeakPolarHBondContact CA-O 3.39Å; V141-V181 HydrophobicContact CG2-CB 4.36Å; V141-V183 HydrophobicContact CG1-CG2 4.05Å
142V98.4Very high94.3Very high0 Ų037.4 Ų37.40%018%0.181CC..EExtended strand (participates in β ladder)trans-125.6141-167.180.60000112.5D68 V140 A161 V180 V181 T182 L202 V204D68-V142 WeakPolarHBondContact OD2-CA 3.44Å; D68-V142 WeakPolarHBondContact OD2-CG2 3.43Å; V140-V142 HydrophobicContact CG1-CB 4.35Å; V142-A161 HydrophobicContact CG2-CB 3.99Å; V142-V180 HydrophobicContact CG1-CG1 3.89Å; V142-V181 PolarHBondContact N-O 3.04Å; V142-T182 WeakPolarHBondContact O-CA 3.43Å; V142-T182 WeakPolarHBondContact O-CB 3.2Å; V142-T182 PolarHBondContact O-OG1 3.49Å; V142-L202 HydrophobicContact CG2-CD2 4.37Å; V142-V204 HydrophobicContact CG1-CG1 4.11Å
143G97.3Very high95.3Very high0 Ų031.7 Ų31.70%015%0.15CC..  trans-83141-178.800000112.4D68 R153D68-G143 PolarHBondContact OD2-N 3.09Å; G143-R153 PolarHBondContact O-NE 3.3Å; G143-R153 PolarHBondContact O-NH2 2.71Å
144S98.6Very high96.2Very high0 Ų030.3 Ų30.30%014%0.138CC..  trans-137.5148.2-178.3-52.80000112.7I40 R153 T182 Q188I40-S144 WeakPolarHBondContact CG2-O 3.27Å; S144-R153 WeakPolarHBondContact OG-CD 3.35Å; S144-R153 WeakPolarHBondContact OG-CG 3.2Å; S144-R153 PolarHBondContact OG-NE 3.27Å; S144-T182 WeakPolarHBondContact CB-OG1 3.48Å; S144-T182 PolarHBondContact OG-OG1 2.94Å; S144-Q188 PolarHBondContact O-NE2 3.44Å
145V98.8Very high96.9Very high0 Ų020.4 Ų20.40%010%0.099CC..SBendtrans-84.5-46.8168.21780000109.5R17 V20 W21 I40 I154 K156 Q188R17-V145 HydrophobicContact CB-CG1 4.16Å; R17-V145 HydrophobicContact CG-CB 4.29Å; R17-V145 HydrophobicContact CG-CG1 4.01Å; R17-V145 HydrophobicContact CG-CG2 4.48Å; V20-V145 HydrophobicContact CB-CG1 4.1Å; V20-V145 HydrophobicContact CG1-CG1 4.09Å; V20-V145 WeakPolarHBondContact CG1-O 3.41Å; W21-V145 HydrophobicContact CZ2-CG2 3.88Å; I40-V145 HydrophobicContact CD1-CG2 4.1Å; V145-I154 PolarHBondContact N-O 2.73Å; V145-K156 HydrophobicContact CG2-CB 4.25Å; V145-Q188 PolarHBondContact O-NE2 3.18Å
146A98.7Very high97.5Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-138.8149177.200000110.5I16 V20 I154 Q188 V190 I192I16-A146 HydrophobicContact CG2-CB 3.73Å; V20-A146 HydrophobicContact CG2-CB 4.18Å; A146-I154 HydrophobicContact CB-CB 4.3Å; A146-I154 PolarHBondContact N-O 3.01Å; A146-I154 PolarHBondContact O-N 2.98Å; A146-Q188 WeakPolarHBondContact CA-O 3.45Å; A146-V190 HydrophobicContact CB-CG2 3.9Å; A146-I192 HydrophobicContact CB-CD1 4.08Å
147V98.8Very high97.6Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-141.2151.9172.5-69.30000111C152 R153 T182 V184 Q188 V189 V190 V204 I207V147-C152 CarbonylContact C-O 3.53Å; V147-C152 WeakPolarHBondContact CA-O 3.1Å; V147-R153 HydrophobicContact CG1-CB 4.17Å; V147-R153 HydrophobicContact CG1-CG 4.19Å; V147-T182 HydrophobicContact CB-CG2 4.43Å; V147-T182 HydrophobicContact CG1-CG2 3.67Å; V147-T182 HydrophobicContact CG2-CG2 4.23Å; V147-V184 HydrophobicContact CG2-CG1 4.33Å; V147-V184 HydrophobicContact CG2-CG2 3.83Å; V147-Q188 PolarHBondContact N-O 3.24Å; V147-V189 HydrophobicContact CG2-CG2 4.28Å; V147-V189 CarbonylContact O-C 3.55Å; V147-V189 VanDerWaalsContact O-CA 3.25Å; V147-V189 WeakPolarHBondContact O-CA 3.33Å; V147-V190 PolarHBondContact O-N 3.41Å; V147-V204 HydrophobicContact CG1-CG2 4.36Å; V147-I207 HydrophobicContact CB-CD1 4.09Å; V147-I207 HydrophobicContact CB-CG1 4.47Å; V147-I207 HydrophobicContact CG2-CD1 3.76Å; V147-I207 HydrophobicContact CG2-CG1 4.06Å; V147-I207 HydrophobicContact CG2-CG2 3.84Å
148S98.1Very high97.4Very high4 Ų420.3 Ų20.33%0.02810%0.104CC..  trans-104156.3170.874.50000111.2K150 G151 C152 V190 I207S148-K150 PolarHBondContact O-N 2.8Å; S148-K150 VanDerWaalsContact O-N 3.07Å; S148-K150 PolarHBondContact OG-N 2.85Å; S148-G151 PolarHBondContact O-N 3.14Å; S148-C152 PolarHBondContact N-O 3.09Å; S148-C152 WeakPolarHBondContact OG-CB 3.16Å; S148-C152 PolarHBondContact OG-N 2.62Å; S148-C152 PolarHBondContact OG-SG 2.61Å; S148-C152 VanDerWaalsContact OG-SG 3.4Å; S148-V190 WeakPolarHBondContact CA-O 3.01Å; S148-V190 VanDerWaalsContact CB-O 3.23Å; S148-V190 WeakPolarHBondContact CB-O 3.4Å; S148-I207 VanDerWaalsContact O-CD1 3.26Å; S148-I207 WeakPolarHBondContact O-CD1 3.4Å
149E97.4Very high97.1Very high78 Ų7819.3 Ų19.336%0.36411%0.105SC..THydrogen-bonded Turntrans-61.3-16.3173.8-64.7-169168.200112.3G151 V189 R212 I214 T216E149-G151 VanDerWaalsContact C-N 3.31Å; E149-V189 HydrophobicContact CG-CG1 3.7Å; E149-R212 IonicContact OE1-CZ 3.89Å; E149-R212 VanDerWaalsContact OE1-CZ 3.24Å; E149-R212 IonicContact OE1-NH1 3.11Å; E149-R212 PolarHBondContact OE1-NH1 3.28Å; E149-R212 IonicContact OE1-NH2 2.69Å; E149-R212 PolarHBondContact OE1-NH2 3.15Å; E149-I214 HydrophobicContact CG-CD1 4.38Å; E149-I214 HydrophobicContact CG-CG2 4.48Å; E149-T216 VanDerWaalsContact O-CA 3.22Å; E149-T216 WeakPolarHBondContact O-CA 3.44Å; E149-T216 WeakPolarHBondContact O-CB 3.44Å
150K97.3Very high96.8Very high124 Ų12421.1 Ų21.154%0.53911%0.113SC..THydrogen-bonded Turntrans-82.2-1.2172.6-57.6-177.4175.2-178.40114.4S148 E194 C218S148-K150 PolarHBondContact O-N 2.8Å; S148-K150 VanDerWaalsContact O-N 3.07Å; S148-K150 PolarHBondContact OG-N 2.85Å; K150-E194 WeakPolarHBondContact CD-OE1 2.9Å; K150-E194 IonicContact NZ-OE1 2.74Å; K150-E194 PolarHBondContact NZ-OE1 2.88Å; K150-C218 WeakPolarHBondContact O-CA 3.45Å; K150-C218 WeakPolarHBondContact O-CB 3.46Å; K150-C218 PolarHBondContact O-SG 3.3Å
151G98.2Very high96.6Very high0 Ų021.9 Ų21.90%012%0.119CC..SBendtrans87.97.3178.100000115.5S148 E149 T203 V204S148-G151 PolarHBondContact O-N 3.14Å; E149-G151 VanDerWaalsContact C-N 3.31Å; G151-T203 WeakPolarHBondContact O-CA 2.93Å; G151-V204 WeakPolarHBondContact CA-O 3.11Å; G151-V204 PolarHBondContact O-N 2.97Å
152C98.3Very high96.5Very high1 Ų122.8 Ų22.81%0.00712%0.124CC..  trans-66.4139.9169-53.10000109.4V147 S148 I192 I197V147-C152 CarbonylContact C-O 3.53Å; V147-C152 WeakPolarHBondContact CA-O 3.1Å; S148-C152 PolarHBondContact N-O 3.09Å; S148-C152 WeakPolarHBondContact OG-CB 3.16Å; S148-C152 PolarHBondContact OG-N 2.62Å; S148-C152 PolarHBondContact OG-SG 2.61Å; S148-C152 VanDerWaalsContact OG-SG 3.4Å; C152-I192 HydrophobicContact CB-CB 3.98Å; C152-I192 HydrophobicContact CB-CD1 4.3Å; C152-I192 HydrophobicContact CB-CG2 4.06Å; C152-I197 HydrophobicContact CB-CD1 3.9Å; C152-I197 HydrophobicContact CB-CG1 3.72Å
153R98.5Very high96.2Very high6 Ų623.7 Ų23.72%0.02313%0.128CC..EExtended strand (participates in β ladder)trans-133.2138.4-177.1172.3175167.2-115.1-6.2111.4G143 S144 V147 D162 L202 V204G143-R153 PolarHBondContact O-NE 3.3Å; G143-R153 PolarHBondContact O-NH2 2.71Å; S144-R153 WeakPolarHBondContact OG-CD 3.35Å; S144-R153 WeakPolarHBondContact OG-CG 3.2Å; S144-R153 PolarHBondContact OG-NE 3.27Å; V147-R153 HydrophobicContact CG1-CB 4.17Å; V147-R153 HydrophobicContact CG1-CG 4.19Å; R153-D162 IonicContact NH1-OD1 3.49Å; R153-L202 WeakPolarHBondContact CB-O 3.49Å; R153-V204 HydrophobicContact CB-CG1 4.18Å; R153-V204 HydrophobicContact CG-CG1 4.39Å
154I98.6Very high96Very high2 Ų224 Ų241%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-120.8114.6170.5-66.7170.6000108.5K13 I16 R17 V145 A146 I192K13-I154 HydrophobicContact CB-CD1 4.32Å; K13-I154 HydrophobicContact CB-CG2 4.38Å; K13-I154 HydrophobicContact CD-CG1 4.46Å; K13-I154 HydrophobicContact CG-CD1 4.03Å; K13-I154 HydrophobicContact CG-CG1 4.15Å; I16-I154 HydrophobicContact CB-CD1 4.08Å; I16-I154 HydrophobicContact CD1-CD1 3.56Å; I16-I154 HydrophobicContact CG1-CD1 4.42Å; I16-I154 HydrophobicContact CG2-CD1 3.93Å; R17-I154 HydrophobicContact CG-CG2 3.72Å; V145-I154 PolarHBondContact N-O 2.73Å; A146-I154 HydrophobicContact CB-CB 4.3Å; A146-I154 PolarHBondContact N-O 3.01Å; A146-I154 PolarHBondContact O-N 2.98Å; I154-I192 HydrophobicContact CD1-CD1 3.99Å; I154-I192 HydrophobicContact CD1-CG1 4.31Å; I154-I192 HydrophobicContact CD1-CG2 3.85Å; I154-I192 HydrophobicContact CG1-CD1 4.11Å; I154-I192 HydrophobicContact CG1-CG2 4.4Å
155G97.5Very high95.9Very high14 Ų1424.1 Ų24.114%0.14413%0.13CC..  trans-77.7-172.4170.500000112.8R17 G157R17-G155 WeakPolarHBondContact CD-O 3.21Å; R17-G155 PolarHBondContact NE-O 2.76Å; G155-G157 PolarHBondContact O-N 2.7Å
156K95.1Very high95.7Very high54 Ų5424.5 Ų24.524%0.23513%0.134CC..SBendtrans-69.6-9.7-179.659.1172.1168.8167.20116W21 I40 V145 E158W21-K156 HydrophobicContact CZ2-CB 4.42Å; I40-K156 HydrophobicContact CD1-CB 4.01Å; I40-K156 HydrophobicContact CD1-CG 4.29Å; V145-K156 HydrophobicContact CG2-CB 4.25Å; K156-E158 WeakPolarHBondContact CE-OE2 3.46Å; K156-E158 IonicContact NZ-OE2 2.68Å; K156-E158 PolarHBondContact NZ-OE2 2.64Å
157G93.1Very high95.4Very high22 Ų2224.5 Ų24.523%0.22713%0.134CC..SBendtrans109.5-9.6173.800000116.3G155G155-G157 PolarHBondContact O-N 2.7Å
158E89.9Confident95.1Very high69 Ų6924.5 Ų24.532%0.32213%0.134SC..SBendtrans-82.6-12.9178.2-63.9-178.3113.600113.8K156 Y160K156-E158 WeakPolarHBondContact CE-OE2 3.46Å; K156-E158 IonicContact NZ-OE2 2.68Å; K156-E158 PolarHBondContact NZ-OE2 2.64Å; E158-Y160 VanDerWaalsContact C-N 3.25Å; E158-Y160 HydrophobicContact CB-CD2 3.46Å; E158-Y160 VanDerWaalsContact CB-CD2 3.46Å; E158-Y160 HydrophobicContact CB-CE2 3.66Å; E158-Y160 HydrophobicContact CB-CG 4.45Å; E158-Y160 HydrophobicContact CG-CD2 4.31Å; E158-Y160 HydrophobicContact CG-CE2 4.18Å; E158-Y160 PolarHBondContact O-N 3.34Å
159G91.6Very high94.9Very high30 Ų3025.1 Ų25.131%0.30914%0.139SC..  trans727.6179.400000115.9A161 D162 L163G159-A161 PolarHBondContact O-N 3.03Å; G159-D162 PolarHBondContact O-N 2.67Å; G159-L163 WeakPolarHBondContact O-CB 3.4Å; G159-L163 PolarHBondContact O-N 3.1Å
160Y91.4Very high94.7Very high39 Ų3922.6 Ų22.615%0.15313%0.13CC..Hα-helixtrans-62.4-42.8-176.8-76.1-62.6000113.9R93 E158 E164 I239R93-Y160 HydrophobicContact CB-CE1 3.94Å; R93-Y160 HydrophobicContact CB-CE2 4.35Å; R93-Y160 HydrophobicContact CG-CE1 4.48Å; R93-Y160 HydrophobicContact CG-CE2 4Å; E158-Y160 VanDerWaalsContact C-N 3.25Å; E158-Y160 HydrophobicContact CB-CD2 3.46Å; E158-Y160 VanDerWaalsContact CB-CD2 3.46Å; E158-Y160 HydrophobicContact CB-CE2 3.66Å; E158-Y160 HydrophobicContact CB-CG 4.45Å; E158-Y160 HydrophobicContact CG-CD2 4.31Å; E158-Y160 HydrophobicContact CG-CE2 4.18Å; E158-Y160 PolarHBondContact O-N 3.34Å; Y160-E164 VanDerWaalsContact O-CB 3.27Å; Y160-E164 WeakPolarHBondContact O-CB 3.41Å; Y160-E164 PolarHBondContact O-N 3.08Å; Y160-I239 HydrophobicContact CD1-CD1 4Å; Y160-I239 HydrophobicContact CE1-CD1 3.58Å; Y160-I239 HydrophobicContact CE1-CG1 4.01Å
161A94.1Very high94.2Very high16 Ų1618.9 Ų18.913%0.13212%0.115CC..Hα-helixtrans-68.9-37.3-178.300000111.9V142 G159 E164 W165V142-A161 HydrophobicContact CG2-CB 3.99Å; G159-A161 PolarHBondContact O-N 3.03Å; A161-E164 PolarHBondContact O-N 3.25Å; A161-W165 PolarHBondContact O-N 3.31Å
162D95.9Very high93.9Very high19 Ų1921.5 Ų21.510%0.10214%0.142CC..Hα-helixtrans-68.3-43.4177.7-52.5-59.7000110.8R153 G159 W165 A166 H200 L202R153-D162 IonicContact NH1-OD1 3.49Å; G159-D162 PolarHBondContact O-N 2.67Å; D162-W165 PolarHBondContact O-N 3.5Å; D162-A166 WeakPolarHBondContact O-CB 3.27Å; D162-A166 PolarHBondContact O-N 3.01Å; D162-H200 WeakPolarHBondContact CB-O 3.28Å; D162-L202 WeakPolarHBondContact OD1-CB 3.41Å; D162-L202 PolarHBondContact OD1-N 3.26Å
163L93.6Very high93.6Very high19 Ų1921.6 Ų21.610%0.09914%0.142CC..Hα-helixtrans-64.8-41.2174.7-178.363.9000112.2L94 G159 W165 A166 M167 V226 L231 I239 L242L94-L163 HydrophobicContact CD1-CD2 4.44Å; G159-L163 WeakPolarHBondContact O-CB 3.4Å; G159-L163 PolarHBondContact O-N 3.1Å; L163-W165 VanDerWaalsContact C-N 3.33Å; L163-W165 PolarHBondContact O-N 2.91Å; L163-A166 WeakPolarHBondContact O-CB 3.41Å; L163-A166 PolarHBondContact O-N 3.4Å; L163-M167 HydrophobicContact CG-SD 4.37Å; L163-M167 VanDerWaalsContact O-CG 3.27Å; L163-M167 WeakPolarHBondContact O-CG 3.5Å; L163-M167 PolarHBondContact O-N 3.19Å; L163-V226 HydrophobicContact CD1-CG1 4.49Å; L163-V226 HydrophobicContact CD1-CG2 4.44Å; L163-L231 HydrophobicContact CD1-CD1 4.26Å; L163-L231 HydrophobicContact CD1-CD2 4.37Å; L163-I239 HydrophobicContact CD2-CD1 3.33Å; L163-L242 HydrophobicContact CD1-CD1 4.47Å; L163-L242 HydrophobicContact CD1-CD2 3.89Å; L163-L242 HydrophobicContact CD2-CD1 3.87Å; L163-L242 HydrophobicContact CD2-CD2 4.18Å; L163-L242 HydrophobicContact CD2-CG 4.35Å; L163-L242 HydrophobicContact CG-CD2 4.25Å
164E93.3Very high93.5Very high7 Ų721.5 Ų21.53%0.03314%0.143CC..Hα-helixtrans-60.6-44.5176.2-175.9-15812900111.4K66 P90 L94 F99 Y160 A161 M167 M168K66-E164 WeakPolarHBondContact CE-OE1 3.2Å; K66-E164 IonicContact NZ-OE1 3.74Å; K66-E164 PolarHBondContact NZ-OE1 2.92Å; K66-E164 IonicContact NZ-OE2 2.92Å; P90-E164 HydrophobicContact CB-CG 4.48Å; P90-E164 WeakPolarHBondContact CB-OE2 3.44Å; P90-E164 HydrophobicContact CG-CG 4.42Å; P90-E164 WeakPolarHBondContact CG-OE1 3.49Å; P90-E164 WeakPolarHBondContact CG-OE2 3.44Å; L94-E164 HydrophobicContact CD1-CB 4.23Å; L94-E164 HydrophobicContact CD2-CG 4.23Å; F99-E164 HydrophobicContact CE1-CG 4.4Å; Y160-E164 VanDerWaalsContact O-CB 3.27Å; Y160-E164 WeakPolarHBondContact O-CB 3.41Å; Y160-E164 PolarHBondContact O-N 3.08Å; A161-E164 PolarHBondContact O-N 3.25Å; E164-M167 PolarHBondContact O-N 3.38Å; E164-M168 WeakPolarHBondContact O-CG 3.42Å; E164-M168 PolarHBondContact O-N 3.14Å
165W95.6Very high93.3Very high3 Ų324.4 Ų24.41%0.01116%0.158CC..Hα-helixtrans-58.4-49.3172.5172.7-83.8000112V140 A161 D162 L163 M167 M168 A169 V174 T178 V180 L202 K222 P223V140-W165 HydrophobicContact CB-CZ3 4.48Å; V140-W165 HydrophobicContact CG2-CE3 4.41Å; V140-W165 HydrophobicContact CG2-CZ3 4.05Å; A161-W165 PolarHBondContact O-N 3.31Å; D162-W165 PolarHBondContact O-N 3.5Å; L163-W165 VanDerWaalsContact C-N 3.33Å; L163-W165 PolarHBondContact O-N 2.91Å; W165-M167 VanDerWaalsContact C-N 3.27Å; W165-M167 PolarHBondContact O-N 3.38Å; W165-M168 HydrophobicContact CB-CE 4.37Å; W165-M168 HydrophobicContact CE3-CE 4.12Å; W165-M168 WeakPolarHBondContact O-CB 3.29Å; W165-M168 PolarHBondContact O-N 3.37Å; W165-A169 PolarHBondContact O-N 3.45Å; W165-V174 HydrophobicContact CD2-CG2 4Å; W165-V174 HydrophobicContact CE3-CB 4.46Å; W165-V174 HydrophobicContact CE3-CG1 4.48Å; W165-V174 HydrophobicContact CE3-CG2 4.06Å; W165-V174 HydrophobicContact CH2-CB 3.95Å; W165-V174 HydrophobicContact CH2-CG2 3.99Å; W165-V174 HydrophobicContact CZ2-CB 4.29Å; W165-V174 HydrophobicContact CZ2-CG2 3.89Å; W165-V174 HydrophobicContact CZ3-CB 4.03Å; W165-V174 HydrophobicContact CZ3-CG1 4.14Å; W165-V174 HydrophobicContact CZ3-CG2 4.07Å; W165-T178 HydrophobicContact CH2-CG2 3.91Å; W165-T178 HydrophobicContact CZ3-CG2 3.83Å; W165-V180 HydrophobicContact CE3-CG2 4.29Å; W165-V180 HydrophobicContact CH2-CG2 3.78Å; W165-V180 HydrophobicContact CZ3-CG2 3.51Å; W165-L202 HydrophobicContact CB-CD1 4.36Å; W165-L202 HydrophobicContact CB-CD2 3.95Å; W165-L202 HydrophobicContact CD2-CD1 3.35Å; W165-L202 HydrophobicContact CD2-CD2 4.05Å; W165-L202 HydrophobicContact CD2-CG 4.3Å; W165-L202 HydrophobicContact CE3-CD1 3.69Å; W165-L202 HydrophobicContact CE3-CD2 3.89Å; W165-L202 HydrophobicContact CE3-CG 4.45Å; W165-L202 HydrophobicContact CG-CD1 3.64Å; W165-L202 HydrophobicContact CG-CD2 4.08Å; W165-L202 HydrophobicContact CG-CG 4.31Å; W165-L202 HydrophobicContact CH2-CD1 4.38Å; W165-L202 HydrophobicContact CZ2-CD1 4.14Å; W165-L202 HydrophobicContact CZ3-CD1 4.18Å; W165-K222 HydrophobicContact CH2-CD 3.83Å; W165-K222 HydrophobicContact CZ2-CB 3.67Å; W165-K222 HydrophobicContact CZ2-CD 3.71Å; W165-K222 HydrophobicContact CZ2-CG 4.07Å; W165-P223 PolarHBondContact NE1-O 3.07Å
166A94.9Very high93.2Very high8 Ų827.9 Ų27.97%0.06617%0.171CC..Hα-helixtrans-57-40.8178.500000112.2D162 L163 A169 S170 G225 V226D162-A166 WeakPolarHBondContact O-CB 3.27Å; D162-A166 PolarHBondContact O-N 3.01Å; L163-A166 WeakPolarHBondContact O-CB 3.41Å; L163-A166 PolarHBondContact O-N 3.4Å; A166-A169 PolarHBondContact O-N 2.83Å; A166-S170 PolarHBondContact O-N 2.94Å; A166-S170 PolarHBondContact O-OG 3.47Å; A166-G225 WeakPolarHBondContact CB-O 3.38Å; A166-G225 WeakPolarHBondContact O-CA 3.12Å; A166-V226 HydrophobicContact CB-CG2 4.02Å
167M92Very high93.3Very high0 Ų029.5 Ų29.50%019%0.189CC..Hα-helixtrans-65-43.2174.5-69.2175.463.300112.2L94 L98 L131 L163 E164 W165 A169 S170 M171 V226 I241 L242 L245L94-M167 HydrophobicContact CD1-SD 3.93Å; L98-M167 HydrophobicContact CD1-CB 4.44Å; L98-M167 HydrophobicContact CD1-CE 3.84Å; L131-M167 HydrophobicContact CD2-CE 3.84Å; L163-M167 HydrophobicContact CG-SD 4.37Å; L163-M167 VanDerWaalsContact O-CG 3.27Å; L163-M167 WeakPolarHBondContact O-CG 3.5Å; L163-M167 PolarHBondContact O-N 3.19Å; E164-M167 PolarHBondContact O-N 3.38Å; W165-M167 VanDerWaalsContact C-N 3.27Å; W165-M167 PolarHBondContact O-N 3.38Å; M167-A169 VanDerWaalsContact C-N 3.3Å; M167-A169 PolarHBondContact O-N 2.95Å; M167-S170 PolarHBondContact O-N 3.34Å; M167-M171 VanDerWaalsContact O-CG 3.27Å; M167-M171 WeakPolarHBondContact O-CG 3.29Å; M167-M171 PolarHBondContact O-N 2.76Å; M167-M171 VanDerWaalsContact O-N 3.09Å; M167-V226 HydrophobicContact CG-CG2 4.07Å; M167-I241 HydrophobicContact CE-CB 4.23Å; M167-I241 HydrophobicContact CE-CD1 4.06Å; M167-I241 HydrophobicContact CE-CG1 3.78Å; M167-I241 HydrophobicContact CE-CG2 3.54Å; M167-I241 HydrophobicContact SD-CG2 4.27Å; M167-L242 HydrophobicContact CE-CD2 4.47Å; M167-L242 HydrophobicContact CG-CD2 3.97Å; M167-L242 HydrophobicContact SD-CD2 3.68Å; M167-L245 HydrophobicContact CB-CD2 4.06Å; M167-L245 HydrophobicContact CE-CD2 4.47Å; M167-L245 HydrophobicContact CG-CD2 3.69Å
168M93.3Very high93.5Very high0 Ų028.5 Ų28.50%018%0.178CC..Hα-helixtrans-60.8-40.7174.9-71.1-171.1-73.200111.7K66 F99 V140 E164 W165 M171 G172 A173 V174K66-M168 HydrophobicContact CD-CE 4.49Å; F99-M168 HydrophobicContact CE1-SD 4.19Å; F99-M168 HydrophobicContact CE2-CG 4.22Å; F99-M168 HydrophobicContact CE2-SD 4.24Å; F99-M168 HydrophobicContact CZ-CG 3.59Å; F99-M168 HydrophobicContact CZ-SD 3.42Å; F99-M168 WeakPolarHBondContact CZ-SD 3.41Å; V140-M168 HydrophobicContact CG2-CE 4.36Å; E164-M168 WeakPolarHBondContact O-CG 3.42Å; E164-M168 PolarHBondContact O-N 3.14Å; W165-M168 HydrophobicContact CB-CE 4.37Å; W165-M168 HydrophobicContact CE3-CE 4.12Å; W165-M168 WeakPolarHBondContact O-CB 3.29Å; W165-M168 PolarHBondContact O-N 3.37Å; M168-M171 CarbonylContact O-C 3.56Å; M168-M171 PolarHBondContact O-N 3.39Å; M168-G172 PolarHBondContact O-N 2.78Å; M168-A173 HydrophobicContact CB-CB 4.18Å; M168-A173 WeakPolarHBondContact O-CB 3.39Å; M168-A173 PolarHBondContact O-N 3.25Å; M168-V174 HydrophobicContact CB-CB 4.34Å; M168-V174 HydrophobicContact CB-CG1 3.97Å; M168-V174 HydrophobicContact CB-CG2 3.57Å; M168-V174 HydrophobicContact CE-CG1 4.08Å; M168-V174 HydrophobicContact SD-CG1 3.79Å
169A94.4Very high93.9Very high17 Ų1726.2 Ų26.214%0.1417%0.169CC..Hα-helixtrans-65.9-45.2178.800000111W165 A166 M167 M171 G172 V174W165-A169 PolarHBondContact O-N 3.45Å; A166-A169 PolarHBondContact O-N 2.83Å; M167-A169 VanDerWaalsContact C-N 3.3Å; M167-A169 PolarHBondContact O-N 2.95Å; A169-M171 PolarHBondContact O-N 3.39Å; A169-G172 PolarHBondContact O-N 3.43Å; A169-V174 HydrophobicContact CB-CG2 3.98Å
170S91.6Very high94.3Very high24 Ų2424.8 Ų24.817%0.16815%0.154CC..Hα-helixtrans-57.1-31.1173.3-810000113.1A166 M167 V226 E249A166-S170 PolarHBondContact O-N 2.94Å; A166-S170 PolarHBondContact O-OG 3.47Å; M167-S170 PolarHBondContact O-N 3.34Å; S170-V226 PolarHBondContact OG-N 3.09Å; S170-E249 WeakPolarHBondContact CB-OE1 3.18Å; S170-E249 PolarHBondContact OG-OE1 3.09Å
171M88Confident94.6Very high47 Ų4722.9 Ų22.923%0.23215%0.147CC..THydrogen-bonded Turntrans-85.5-4.3176.4-68.6171.952.500114.1L98 L131 M167 M168 A169 A173L98-M171 HydrophobicContact CD2-CE 3.55Å; L98-M171 HydrophobicContact CD2-SD 3.49Å; L98-M171 WeakPolarHBondContact CD2-SD 3.46Å; L131-M171 HydrophobicContact CB-CE 4.44Å; L131-M171 HydrophobicContact CB-SD 4.24Å; L131-M171 HydrophobicContact CD2-CE 4.39Å; L131-M171 HydrophobicContact CD2-SD 3.35Å; L131-M171 WeakPolarHBondContact CD2-SD 3.39Å; L131-M171 HydrophobicContact CG-SD 4.39Å; L131-M171 WeakPolarHBondContact O-CE 3.43Å; M167-M171 VanDerWaalsContact O-CG 3.27Å; M167-M171 WeakPolarHBondContact O-CG 3.29Å; M167-M171 PolarHBondContact O-N 2.76Å; M167-M171 VanDerWaalsContact O-N 3.09Å; M168-M171 CarbonylContact O-C 3.56Å; M168-M171 PolarHBondContact O-N 3.39Å; A169-M171 PolarHBondContact O-N 3.39Å; M171-A173 HydrophobicContact CB-CB 4.49Å; M171-A173 PolarHBondContact O-N 2.93Å
172G90.9Very high94.8Very high55 Ų5522.1 Ų22.157%0.56714%0.14SC*.THydrogen-bonded Turntrans69.614.1-172.800000114.3M168 A169M168-G172 PolarHBondContact O-N 2.78Å; A169-G172 PolarHBondContact O-N 3.43Å
173A92.3Very high95Very high2 Ų221.3 Ų21.32%0.01714%0.136CC..SBendtrans-78.1-24.4-179.700000113V135 V137 M168 M171V135-A173 WeakPolarHBondContact O-CA 3.13Å; V135-A173 WeakPolarHBondContact O-CB 3.2Å; V137-A173 PolarHBondContact N-O 3.24Å; M168-A173 HydrophobicContact CB-CB 4.18Å; M168-A173 WeakPolarHBondContact O-CB 3.39Å; M168-A173 PolarHBondContact O-N 3.25Å; M171-A173 HydrophobicContact CB-CB 4.49Å; M171-A173 PolarHBondContact O-N 2.93Å
174V95.8Very high95.2Very high5 Ų520.4 Ų20.43%0.0313%0.131CC..  trans-131.9159.8171.9-61.40000109.9V137 V140 W165 M168 A169 T178V137-V174 HydrophobicContact CB-CG1 3.99Å; V140-V174 HydrophobicContact CG2-CG1 4.41Å; W165-V174 HydrophobicContact CD2-CG2 4Å; W165-V174 HydrophobicContact CE3-CB 4.46Å; W165-V174 HydrophobicContact CE3-CG1 4.48Å; W165-V174 HydrophobicContact CE3-CG2 4.06Å; W165-V174 HydrophobicContact CH2-CB 3.95Å; W165-V174 HydrophobicContact CH2-CG2 3.99Å; W165-V174 HydrophobicContact CZ2-CB 4.29Å; W165-V174 HydrophobicContact CZ2-CG2 3.89Å; W165-V174 HydrophobicContact CZ3-CB 4.03Å; W165-V174 HydrophobicContact CZ3-CG1 4.14Å; W165-V174 HydrophobicContact CZ3-CG2 4.07Å; M168-V174 HydrophobicContact CB-CB 4.34Å; M168-V174 HydrophobicContact CB-CG1 3.97Å; M168-V174 HydrophobicContact CB-CG2 3.57Å; M168-V174 HydrophobicContact CE-CG1 4.08Å; M168-V174 HydrophobicContact SD-CG1 3.79Å; A169-V174 HydrophobicContact CB-CG2 3.98Å; V174-T178 WeakPolarHBondContact CA-OG1 3.25Å; V174-T178 HydrophobicContact CB-CG2 4.16Å; V174-T178 HydrophobicContact CG1-CG2 3.95Å
175N95.7Very high95.5Very high63 Ų6321.4 Ų21.434%0.33714%0.136SC..  trans-150.7-173.3174.961.255.5000110.3S177 T178N175-S177 PolarHBondContact O-N 3.09Å; N175-S177 VanDerWaalsContact O-N 3.17Å; N175-S177 WeakPolarHBondContact OD1-CA 3.49Å; N175-S177 WeakPolarHBondContact OD1-CB 3.2Å; N175-S177 PolarHBondContact OD1-N 2.94Å; N175-S177 PolarHBondContact OD1-OG 3.19Å; N175-T178 PolarHBondContact N-OG1 2.87Å; N175-T178 VanDerWaalsContact N-OG1 3.14Å; N175-T178 VanDerWaalsContact O-CB 3.26Å; N175-T178 WeakPolarHBondContact O-CB 3.23Å; N175-T178 PolarHBondContact O-N 3.28Å; N175-T178 PolarHBondContact O-OG1 2.94Å; N175-T178 PolarHBondContact OD1-N 3.48Å
176E95.4Very high95.6Very high87 Ų8723.1 Ų23.141%0.40715%0.145SC..THydrogen-bonded Turntrans-58-31.4-177.6-157.461.5-152.900113.8T178 K222 Q224E176-T178 VanDerWaalsContact C-N 3.34Å; E176-K222 PolarHBondContact O-NZ 2.91Å; E176-K222 PolarHBondContact OE1-N 3.18Å; E176-K222 VanDerWaalsContact OE1-N 3.17Å; E176-K222 PolarHBondContact OE2-N 3.28Å; E176-Q224 PolarHBondContact OE2-NE2 2.73Å
177S96.1Very high95.8Very high87 Ų8723.1 Ų23.161%0.60815%0.145SC*.THydrogen-bonded Turntrans-78.5-13.9178.774.40000114.1N175 V179N175-S177 PolarHBondContact O-N 3.09Å; N175-S177 VanDerWaalsContact O-N 3.17Å; N175-S177 WeakPolarHBondContact OD1-CA 3.49Å; N175-S177 WeakPolarHBondContact OD1-CB 3.2Å; N175-S177 PolarHBondContact OD1-N 2.94Å; N175-S177 PolarHBondContact OD1-OG 3.19Å; S177-V179 PolarHBondContact O-N 3.2Å
178T98Very high96.1Very high1 Ų123.1 Ų23.11%0.00615%0.145CC..SBendtrans-63.4122.7175.1-64.90000109.5V137 V140 W165 V174 N175 E176 K222V137-T178 WeakPolarHBondContact O-CG2 3.17Å; V137-T178 PolarHBondContact O-OG1 2.97Å; V140-T178 HydrophobicContact CG2-CG2 3.93Å; W165-T178 HydrophobicContact CH2-CG2 3.91Å; W165-T178 HydrophobicContact CZ3-CG2 3.83Å; V174-T178 WeakPolarHBondContact CA-OG1 3.25Å; V174-T178 HydrophobicContact CB-CG2 4.16Å; V174-T178 HydrophobicContact CG1-CG2 3.95Å; N175-T178 PolarHBondContact N-OG1 2.87Å; N175-T178 VanDerWaalsContact N-OG1 3.14Å; N175-T178 VanDerWaalsContact O-CB 3.26Å; N175-T178 WeakPolarHBondContact O-CB 3.23Å; N175-T178 PolarHBondContact O-N 3.28Å; N175-T178 PolarHBondContact O-OG1 2.94Å; N175-T178 PolarHBondContact OD1-N 3.48Å; E176-T178 VanDerWaalsContact C-N 3.34Å; T178-K222 PolarHBondContact O-NZ 2.9Å
179V98.5Very high96.4Very high21 Ų2123.4 Ų23.413%0.12715%0.146CC..EExtended strand (participates in β ladder)trans-77.7129.7-179.1175.80000110.7T58 D138 L139 V140 S177 V181 D205 Y206T58-V179 HydrophobicContact CG2-CB 4.02Å; T58-V179 HydrophobicContact CG2-CG2 3.82Å; T58-V179 WeakPolarHBondContact OG1-CG2 3.45Å; D138-V179 PolarHBondContact O-N 3.07Å; L139-V179 WeakPolarHBondContact CA-O 3.42Å; L139-V179 HydrophobicContact CD1-CB 3.96Å; L139-V179 HydrophobicContact CD1-CG1 3.84Å; V140-V179 PolarHBondContact N-O 3.31Å; S177-V179 PolarHBondContact O-N 3.2Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å; V179-D205 WeakPolarHBondContact CA-OD2 3.47Å; V179-D205 HydrophobicContact CG1-CB 4.29Å; V179-Y206 HydrophobicContact CG1-CD2 3.69Å; V179-Y206 HydrophobicContact CG1-CE2 3.87Å
180V98.8Very high96.6Very high0 Ų022.6 Ų22.60%014%0.14CC..EExtended strand (participates in β ladder)trans-110.9120.3178.1-171.80000110V140 V142 W165 L202 T203 V204 D205 Y206 K222V140-V180 HydrophobicContact CG1-CG1 4.38Å; V140-V180 CarbonylContact O-C 3.41Å; V140-V180 WeakPolarHBondContact O-CA 3.46Å; V142-V180 HydrophobicContact CG1-CG1 3.89Å; W165-V180 HydrophobicContact CE3-CG2 4.29Å; W165-V180 HydrophobicContact CH2-CG2 3.78Å; W165-V180 HydrophobicContact CZ3-CG2 3.51Å; V180-L202 HydrophobicContact CG1-CD2 4.04Å; V180-L202 HydrophobicContact CG1-CG 4.26Å; V180-L202 HydrophobicContact CG2-CD1 4.16Å; V180-T203 WeakPolarHBondContact CG1-O 3.33Å; V180-V204 HydrophobicContact CG1-CB 4.48Å; V180-V204 HydrophobicContact CG1-CG1 4Å; V180-D205 PolarHBondContact N-OD2 3.16Å; V180-D205 WeakPolarHBondContact O-CA 3.38Å; V180-D205 WeakPolarHBondContact O-CB 3.45Å; V180-D205 PolarHBondContact O-N 2.77Å; V180-Y206 PolarHBondContact O-N 2.9Å; V180-Y206 VanDerWaalsContact O-N 3.11Å; V180-K222 HydrophobicContact CG2-CD 4.33Å
181V98.9Very high96.8Very high0 Ų026.1 Ų26.10%016%0.157CC..EExtended strand (participates in β ladder)trans-114.4138-178.6-176.10000109L56 L139 V140 V141 V142 V179 Y206 L208L56-V181 HydrophobicContact CD1-CG1 4.29Å; L56-V181 HydrophobicContact CD1-CG2 3.54Å; L139-V181 HydrophobicContact CD1-CG2 3.58Å; V140-V181 PolarHBondContact O-N 3.37Å; V141-V181 CarbonylContact C-O 3.55Å; V141-V181 VanDerWaalsContact CA-O 3.3Å; V141-V181 WeakPolarHBondContact CA-O 3.39Å; V141-V181 HydrophobicContact CG2-CB 4.36Å; V142-V181 PolarHBondContact N-O 3.04Å; V179-V181 HydrophobicContact CG1-CG2 4.06Å; V181-Y206 WeakPolarHBondContact CA-O 3.38Å; V181-L208 HydrophobicContact CG1-CD1 3.58Å; V181-L208 HydrophobicContact CG1-CD2 4.28Å; V181-L208 HydrophobicContact CG1-CG 3.58Å
182T98.9Very high97.2Very high0 Ų024.3 Ų24.30%015%0.148CC..EExtended strand (participates in β ladder)trans-116.8151.9165.5-161.20000111.6V142 S144 V147 V184 V204 Y206 I207 L208V142-T182 WeakPolarHBondContact O-CA 3.43Å; V142-T182 WeakPolarHBondContact O-CB 3.2Å; V142-T182 PolarHBondContact O-OG1 3.49Å; S144-T182 WeakPolarHBondContact CB-OG1 3.48Å; S144-T182 PolarHBondContact OG-OG1 2.94Å; V147-T182 HydrophobicContact CB-CG2 4.43Å; V147-T182 HydrophobicContact CG1-CG2 3.67Å; V147-T182 HydrophobicContact CG2-CG2 4.23Å; T182-V184 HydrophobicContact CG2-CG1 4.21Å; T182-V204 HydrophobicContact CG2-CB 4.49Å; T182-V204 HydrophobicContact CG2-CG1 4.29Å; T182-V204 HydrophobicContact CG2-CG2 4.26Å; T182-Y206 PolarHBondContact N-O 3.23Å; T182-I207 HydrophobicContact CG2-CB 4.3Å; T182-I207 HydrophobicContact CG2-CG1 3.98Å; T182-I207 HydrophobicContact CG2-CG2 4.15Å; T182-L208 PolarHBondContact O-N 2.91Å
183V98.8Very high97.4Very high2 Ų223.3 Ų23.31%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-120.3118.2175.4-171.50000108.3F43 A49 L73 V141 L208F43-V183 HydrophobicContact CZ-CG1 4.14Å; A49-V183 HydrophobicContact CB-CG1 3.63Å; L73-V183 HydrophobicContact CD2-CB 3.68Å; L73-V183 HydrophobicContact CD2-CG2 3.86Å; V141-V183 HydrophobicContact CG1-CG2 4.05Å; V183-L208 WeakPolarHBondContact CA-O 3.44Å; V183-L208 HydrophobicContact CG1-CB 4.46Å; V183-L208 HydrophobicContact CG2-CB 4.22Å; V183-L208 HydrophobicContact CG2-CD1 4.17Å
184V98.8Very high97.6Very high0 Ų027 Ų270%015%0.148CC..  trans-142.6162.8-174.4-60.20000110.9F43 V147 T182 Q188 V189 I207 L208 T209 P210F43-V184 VanDerWaalsContact CE1-C 3.44Å; F43-V184 WeakPolarHBondContact CZ-O 3.4Å; V147-V184 HydrophobicContact CG2-CG1 4.33Å; V147-V184 HydrophobicContact CG2-CG2 3.83Å; T182-V184 HydrophobicContact CG2-CG1 4.21Å; V184-Q188 HydrophobicContact CB-CB 3.84Å; V184-Q188 HydrophobicContact CB-CG 4.41Å; V184-Q188 HydrophobicContact CG1-CB 4.44Å; V184-Q188 HydrophobicContact CG2-CB 4.2Å; V184-V189 HydrophobicContact CG2-CG2 4.11Å; V184-I207 HydrophobicContact CG2-CG2 3.61Å; V184-L208 PolarHBondContact N-O 2.83Å; V184-T209 HydrophobicContact CG2-CG2 4.19Å; V184-T209 WeakPolarHBondContact O-CA 3.29Å; V184-P210 WeakPolarHBondContact O-CD 3.11Å
185H98.7Very high97.5Very high28 Ų2834.2 Ų34.213%0.1318%0.181CC..  trans-72.6154.6167.4-170.6-96.7000110.6F43 C187 Q188F43-H185 HydrophobicContact CB-CB 4.02Å; F43-H185 HydrophobicContact CD1-CB 4.14Å; F43-H185 HydrophobicContact CD2-CB 3.68Å; F43-H185 AromaticContact CD2-CD2 3.81Å; F43-H185 HydrophobicContact CE2-CB 4.14Å; F43-H185 HydrophobicContact CG-CB 3.69Å; H185-C187 PolarHBondContact ND1-N 2.71Å; H185-C187 VanDerWaalsContact ND1-N 3.2Å; H185-C187 PolarHBondContact ND1-SG 2.93Å; H185-C187 PolarHBondContact O-N 3.46Å; H185-C187 VanDerWaalsContact O-N 3.13Å; H185-Q188 HydrophobicContact CB-CG 4.23Å; H185-Q188 WeakPolarHBondContact O-CB 3.42Å; H185-Q188 PolarHBondContact O-N 3.48Å
186D98.6Very high97.6Very high39 Ų3933.2 Ų33.221%0.20918%0.176CC..G310 helixtrans-52.9-37.6178.7-59.3-92.3000113.2Q188 V189 T209 P210 T211D186-Q188 PolarHBondContact O-N 2.88Å; D186-V189 WeakPolarHBondContact O-CB 3.42Å; D186-V189 PolarHBondContact O-N 3.26Å; D186-T209 WeakPolarHBondContact OD1-CB 3.24Å; D186-T209 PolarHBondContact OD1-OG1 2.88Å; D186-P210 WeakPolarHBondContact OD2-CD 3.18Å; D186-T211 WeakPolarHBondContact OD1-CB 3.25Å; D186-T211 WeakPolarHBondContact OD1-CG2 3.49Å; D186-T211 PolarHBondContact OD1-OG1 3.1Å
187C98.4Very high97.6Very high7 Ų730.1 Ų30.15%0.04716%0.162CC..G310 helixtrans-69.4-16178.774.50000114.5I5 Y23 H185 V189I5-C187 HydrophobicContact CD1-CB 4.37Å; I5-C187 VanDerWaalsContact CD1-O 3.24Å; I5-C187 WeakPolarHBondContact CD1-O 3.39Å; Y23-C187 HydrophobicContact CD1-CB 3.98Å; Y23-C187 HydrophobicContact CE1-CB 3.73Å; H185-C187 PolarHBondContact ND1-N 2.71Å; H185-C187 VanDerWaalsContact ND1-N 3.2Å; H185-C187 PolarHBondContact ND1-SG 2.93Å; H185-C187 PolarHBondContact O-N 3.46Å; H185-C187 VanDerWaalsContact O-N 3.13Å; C187-V189 VanDerWaalsContact C-N 3.28Å
188Q98.7Very high97.6Very high1 Ų127.2 Ų27.21%0.00515%0.146CC..G310 helixtrans-84.8-7.3177-61.5179.6-108.500111.8V20 I24 S144 V145 A146 V147 V184 H185 D186 V190V20-Q188 HydrophobicContact CG1-CG 3.84Å; I24-Q188 HydrophobicContact CD1-CG 3.82Å; S144-Q188 PolarHBondContact O-NE2 3.44Å; V145-Q188 PolarHBondContact O-NE2 3.18Å; A146-Q188 WeakPolarHBondContact CA-O 3.45Å; V147-Q188 PolarHBondContact N-O 3.24Å; V184-Q188 HydrophobicContact CB-CB 3.84Å; V184-Q188 HydrophobicContact CB-CG 4.41Å; V184-Q188 HydrophobicContact CG1-CB 4.44Å; V184-Q188 HydrophobicContact CG2-CB 4.2Å; H185-Q188 HydrophobicContact CB-CG 4.23Å; H185-Q188 WeakPolarHBondContact O-CB 3.42Å; H185-Q188 PolarHBondContact O-N 3.48Å; D186-Q188 PolarHBondContact O-N 2.88Å; Q188-V190 PolarHBondContact O-N 3.17Å
189V98.6Very high97.5Very high5 Ų532.4 Ų32.43%0.0318%0.178CC..BIsolated β-bridgetrans-82.3106.8169.9-171.30000107.9V147 E149 V184 D186 C187 I207 T209V147-V189 HydrophobicContact CG2-CG2 4.28Å; V147-V189 CarbonylContact O-C 3.55Å; V147-V189 VanDerWaalsContact O-CA 3.25Å; V147-V189 WeakPolarHBondContact O-CA 3.33Å; E149-V189 HydrophobicContact CG-CG1 3.7Å; V184-V189 HydrophobicContact CG2-CG2 4.11Å; D186-V189 WeakPolarHBondContact O-CB 3.42Å; D186-V189 PolarHBondContact O-N 3.26Å; C187-V189 VanDerWaalsContact C-N 3.28Å; V189-I207 HydrophobicContact CG2-CG2 4.07Å; V189-T209 HydrophobicContact CG2-CG2 3.96Å
190V98.3Very high97.4Very high1 Ų134.8 Ų34.81%0.00619%0.187CC..  trans-134.9160.4-172.3-54.50000111.5I5 I7 I16 A146 V147 S148 Q188 I192I5-V190 HydrophobicContact CB-CG1 3.86Å; I5-V190 HydrophobicContact CG2-CG1 4.37Å; I7-V190 HydrophobicContact CD1-CB 4.39Å; I7-V190 HydrophobicContact CD1-CG2 4.34Å; I7-V190 HydrophobicContact CG1-CB 4.18Å; I7-V190 HydrophobicContact CG1-CG2 4.18Å; I16-V190 HydrophobicContact CG2-CG2 4.39Å; A146-V190 HydrophobicContact CB-CG2 3.9Å; V147-V190 PolarHBondContact O-N 3.41Å; S148-V190 WeakPolarHBondContact CA-O 3.01Å; S148-V190 VanDerWaalsContact CB-O 3.23Å; S148-V190 WeakPolarHBondContact CB-O 3.4Å; Q188-V190 PolarHBondContact O-N 3.17Å; V190-I192 HydrophobicContact CG2-CD1 4.28Å; V190-I192 HydrophobicContact CG2-CG1 3.65Å; V190-I192 PolarHBondContact O-N 3.01Å; V190-I192 VanDerWaalsContact O-N 3.09Å
191D96.6Very high97.3Very high98 Ų9835.4 Ų35.452%0.52419%0.191SC..  trans-77.397.2174.3-62.2-38.9000109.4P3 I7P3-D191 WeakPolarHBondContact CG-OD2 3.27Å; I7-D191 WeakPolarHBondContact CG1-O 3.47Å
192I97.2Very high97.3Very high9 Ų935.5 Ų35.55%0.04619%0.191CC..  trans-90.9122176.6-56.6175.6000108.4I16 A146 C152 I154 V190 E194 I197I16-I192 HydrophobicContact CD1-CG2 4.47Å; A146-I192 HydrophobicContact CB-CD1 4.08Å; C152-I192 HydrophobicContact CB-CB 3.98Å; C152-I192 HydrophobicContact CB-CD1 4.3Å; C152-I192 HydrophobicContact CB-CG2 4.06Å; I154-I192 HydrophobicContact CD1-CD1 3.99Å; I154-I192 HydrophobicContact CD1-CG1 4.31Å; I154-I192 HydrophobicContact CD1-CG2 3.85Å; I154-I192 HydrophobicContact CG1-CD1 4.11Å; I154-I192 HydrophobicContact CG1-CG2 4.4Å; V190-I192 HydrophobicContact CG2-CD1 4.28Å; V190-I192 HydrophobicContact CG2-CG1 3.65Å; V190-I192 PolarHBondContact O-N 3.01Å; V190-I192 VanDerWaalsContact O-N 3.09Å; I192-E194 PolarHBondContact O-N 2.8Å; I192-I197 HydrophobicContact CG2-CD1 4.13Å
193P95.4Very high97.3Very high33 Ų3335.6 Ų35.621%0.21419%0.192CC..  trans-61.3130.4172.5-18.629.3000111.4E195 L196P193-E195 HydrophobicContact CB-CG 4.22Å; P193-E195 VanDerWaalsContact CB-OE1 3.23Å; P193-E195 WeakPolarHBondContact CB-OE1 3.42Å; P193-E195 WeakPolarHBondContact CB-OE2 3.19Å; P193-E195 PolarHBondContact O-N 3.16Å; P193-L196 HydrophobicContact CB-CD1 4.44Å; P193-L196 HydrophobicContact CB-CG 4.32Å; P193-L196 HydrophobicContact CG-CD1 4.22Å; P193-L196 WeakPolarHBondContact O-CB 3.49Å; P193-L196 PolarHBondContact O-N 3.06Å; P193-L196 VanDerWaalsContact O-N 3.17Å
194E95.1Very high97.3Very high80 Ų8035.5 Ų35.537%0.37419%0.191SC..G310 helixtrans-66-28.8-173.8-72.2174.8-138.100112K150 I192 L196 I197K150-E194 WeakPolarHBondContact CD-OE1 2.9Å; K150-E194 IonicContact NZ-OE1 2.74Å; K150-E194 PolarHBondContact NZ-OE1 2.88Å; I192-E194 PolarHBondContact O-N 2.8Å; E194-L196 PolarHBondContact O-N 3.48Å; E194-I197 WeakPolarHBondContact O-CB 3.27Å; E194-I197 PolarHBondContact O-N 3.07Å
195E95.1Very high97.3Very high156 Ų15637.3 Ų37.373%0.72920%0.201SC*.G310 helixtrans-63-18.8176.165.8-89.6-152.500113.8P193 I197P193-E195 HydrophobicContact CB-CG 4.22Å; P193-E195 VanDerWaalsContact CB-OE1 3.23Å; P193-E195 WeakPolarHBondContact CB-OE1 3.42Å; P193-E195 WeakPolarHBondContact CB-OE2 3.19Å; P193-E195 PolarHBondContact O-N 3.16Å; E195-I197 VanDerWaalsContact C-N 3.3Å
196L96.3Very high97.3Very high42 Ų4238.2 Ų38.222%0.2220%0.203CC..G310 helixtrans-76.1-22172-62-179.5000111.7A11 K13 I16 P193 E194 G198A11-L196 WeakPolarHBondContact O-CD1 3.49Å; K13-L196 WeakPolarHBondContact CE-O 3.4Å; K13-L196 HydrophobicContact CG-CB 4.3Å; K13-L196 PolarHBondContact NZ-O 3.33Å; I16-L196 HydrophobicContact CD1-CD1 3.62Å; P193-L196 HydrophobicContact CB-CD1 4.44Å; P193-L196 HydrophobicContact CB-CG 4.32Å; P193-L196 HydrophobicContact CG-CD1 4.22Å; P193-L196 WeakPolarHBondContact O-CB 3.49Å; P193-L196 PolarHBondContact O-N 3.06Å; P193-L196 VanDerWaalsContact O-N 3.17Å; E194-L196 PolarHBondContact O-N 3.48Å; L196-G198 PolarHBondContact O-N 3.47Å
197I96.8Very high97.3Very high23 Ų2336.4 Ų36.412%0.11819%0.193CC..  trans-85.6110.3-176.1-52.3-53.8000108.8C152 I192 E194 E195 D201 L220C152-I197 HydrophobicContact CB-CD1 3.9Å; C152-I197 HydrophobicContact CB-CG1 3.72Å; I192-I197 HydrophobicContact CG2-CD1 4.13Å; E194-I197 WeakPolarHBondContact O-CB 3.27Å; E194-I197 PolarHBondContact O-N 3.07Å; E195-I197 VanDerWaalsContact C-N 3.3Å; I197-D201 HydrophobicContact CG2-CB 3.87Å; I197-L220 HydrophobicContact CB-CD1 4.13Å; I197-L220 HydrophobicContact CG2-CD1 3.95Å
198G95.9Very high97.3Very high26 Ų2636 Ų3627%0.26819%0.191SC..  trans-83.9164.7174.800000111.7L196 H200 D201L196-G198 PolarHBondContact O-N 3.47Å; G198-H200 PolarHBondContact O-N 3.3Å; G198-D201 WeakPolarHBondContact CA-OD2 3.39Å; G198-D201 PolarHBondContact N-OD2 2.79Å; G198-D201 PolarHBondContact O-N 3.43Å
199T95.7Very high97.3Very high109 Ų10936 Ų3667%0.66919%0.191SC*.THydrogen-bonded Turntrans-59.9-9179.355.60000115.8
200H95.7Very high97.3Very high71 Ų7137.8 Ų37.833%0.32920%0.203SC..THydrogen-bonded Turntrans-103.6-12.6179.661-69000112.5D162 G198 P223 I227 K230D162-H200 WeakPolarHBondContact CB-O 3.28Å; G198-H200 PolarHBondContact O-N 3.3Å; H200-P223 WeakPolarHBondContact O-CG 3.45Å; H200-I227 HydrophobicContact CB-CD1 4.12Å; H200-K230 HydrophobicContact CB-CD 4.16Å
201D97.7Very high97.2Very high14 Ų1442.2 Ų42.28%0.07523%0.23CC..SBendtrans-78.3129.8-179.4-67.4-72.5000110K13 I197 G198 T203K13-D201 IonicContact NZ-OD1 3.92Å; K13-D201 PolarHBondContact NZ-OD1 3.22Å; K13-D201 IonicContact NZ-OD2 3.42Å; K13-D201 PolarHBondContact NZ-OD2 2.92Å; I197-D201 HydrophobicContact CG2-CB 3.87Å; G198-D201 WeakPolarHBondContact CA-OD2 3.39Å; G198-D201 PolarHBondContact N-OD2 2.79Å; G198-D201 PolarHBondContact O-N 3.43Å; D201-T203 PolarHBondContact O-N 3.02Å
202L98.3Very high97.2Very high2 Ų240.7 Ų40.71%0.0122%0.217CC..PPolyproline II helixtrans-75.6120.3178.6176.362.1000111.2V142 R153 D162 W165 V180 K222V142-L202 HydrophobicContact CG2-CD2 4.37Å; R153-L202 WeakPolarHBondContact CB-O 3.49Å; D162-L202 WeakPolarHBondContact OD1-CB 3.41Å; D162-L202 PolarHBondContact OD1-N 3.26Å; W165-L202 HydrophobicContact CB-CD1 4.36Å; W165-L202 HydrophobicContact CB-CD2 3.95Å; W165-L202 HydrophobicContact CD2-CD1 3.35Å; W165-L202 HydrophobicContact CD2-CD2 4.05Å; W165-L202 HydrophobicContact CD2-CG 4.3Å; W165-L202 HydrophobicContact CE3-CD1 3.69Å; W165-L202 HydrophobicContact CE3-CD2 3.89Å; W165-L202 HydrophobicContact CE3-CG 4.45Å; W165-L202 HydrophobicContact CG-CD1 3.64Å; W165-L202 HydrophobicContact CG-CD2 4.08Å; W165-L202 HydrophobicContact CG-CG 4.31Å; W165-L202 HydrophobicContact CH2-CD1 4.38Å; W165-L202 HydrophobicContact CZ2-CD1 4.14Å; W165-L202 HydrophobicContact CZ3-CD1 4.18Å; V180-L202 HydrophobicContact CG1-CD2 4.04Å; V180-L202 HydrophobicContact CG1-CG 4.26Å; V180-L202 HydrophobicContact CG2-CD1 4.16Å; L202-K222 HydrophobicContact CD1-CG 4.4Å
203T98.1Very high97.3Very high2 Ų242.9 Ų42.91%0.01223%0.231CC..PPolyproline II helixtrans-79.5163.5173.356.20000112G151 V180 D201 L220G151-T203 WeakPolarHBondContact O-CA 2.93Å; V180-T203 WeakPolarHBondContact CG1-O 3.33Å; D201-T203 PolarHBondContact O-N 3.02Å; T203-L220 HydrophobicContact CG2-CB 3.77Å; T203-L220 HydrophobicContact CG2-CD1 4.43Å
204V98.6Very high97.4Very high0 Ų042.2 Ų42.20%023%0.225CC..  trans-123.9140.6-177.4-60.20000111.8V142 V147 G151 R153 V180 T182 I207 T216V142-V204 HydrophobicContact CG1-CG1 4.11Å; V147-V204 HydrophobicContact CG1-CG2 4.36Å; G151-V204 WeakPolarHBondContact CA-O 3.11Å; G151-V204 PolarHBondContact O-N 2.97Å; R153-V204 HydrophobicContact CB-CG1 4.18Å; R153-V204 HydrophobicContact CG-CG1 4.39Å; V180-V204 HydrophobicContact CG1-CB 4.48Å; V180-V204 HydrophobicContact CG1-CG1 4Å; T182-V204 HydrophobicContact CG2-CB 4.49Å; T182-V204 HydrophobicContact CG2-CG1 4.29Å; T182-V204 HydrophobicContact CG2-CG2 4.26Å; V204-I207 HydrophobicContact CG2-CG1 4.18Å; V204-T216 HydrophobicContact CG2-CG2 4.34Å; V204-T216 PolarHBondContact O-OG1 2.88Å
205D98.8Very high97.6Very high37 Ų3744.5 Ų44.520%0.19823%0.234CC..SBendtrans-91.1-33178.6-57.7-61.7000112.2V179 V180 K215 T216 K222V179-D205 WeakPolarHBondContact CA-OD2 3.47Å; V179-D205 HydrophobicContact CG1-CB 4.29Å; V180-D205 PolarHBondContact N-OD2 3.16Å; V180-D205 WeakPolarHBondContact O-CA 3.38Å; V180-D205 WeakPolarHBondContact O-CB 3.45Å; V180-D205 PolarHBondContact O-N 2.77Å; D205-K215 WeakPolarHBondContact O-CA 3.43Å; D205-T216 WeakPolarHBondContact CA-OG1 3.46Å; D205-T216 PolarHBondContact O-N 2.81Å; D205-T216 PolarHBondContact O-OG1 2.83Å; D205-K222 IonicContact OD1-NZ 3.71Å; D205-K222 PolarHBondContact OD1-NZ 3.45Å; D205-K222 WeakPolarHBondContact OD2-CE 3.44Å; D205-K222 IonicContact OD2-NZ 2.87Å; D205-K222 PolarHBondContact OD2-NZ 2.98Å
206Y98.8Very high97.7Very high48 Ų4837.6 Ų37.619%0.18820%0.202CC..EExtended strand (participates in β ladder)trans-132.5143.2178.4-68.7-91.2000112.9L56 V179 V180 V181 T182 V213 I214 K215L56-Y206 HydrophobicContact CD1-CG 4.4Å; L56-Y206 HydrophobicContact CD2-CD1 3.8Å; L56-Y206 HydrophobicContact CD2-CE1 3.91Å; L56-Y206 HydrophobicContact CD2-CG 4.17Å; V179-Y206 HydrophobicContact CG1-CD2 3.69Å; V179-Y206 HydrophobicContact CG1-CE2 3.87Å; V180-Y206 PolarHBondContact O-N 2.9Å; V180-Y206 VanDerWaalsContact O-N 3.11Å; V181-Y206 WeakPolarHBondContact CA-O 3.38Å; T182-Y206 PolarHBondContact N-O 3.23Å; Y206-V213 HydrophobicContact CD1-CG1 4.19Å; Y206-I214 CarbonylContact C-O 3.56Å; Y206-I214 VanDerWaalsContact CA-O 3.24Å; Y206-I214 WeakPolarHBondContact CA-O 3.31Å; Y206-K215 HydrophobicContact CD1-CB 4.07Å; Y206-K215 HydrophobicContact CD1-CG 4.36Å; Y206-K215 HydrophobicContact CE1-CB 3.72Å; Y206-K215 HydrophobicContact CE1-CD 4.18Å; Y206-K215 HydrophobicContact CE1-CG 3.78Å
207I98.9Very high97.6Very high0 Ų041.9 Ų41.90%022%0.221CC..EExtended strand (participates in β ladder)trans-119.5117.7173-54.1165.5000108.4V147 S148 T182 V184 V189 V204 T209 I214 T216V147-I207 HydrophobicContact CB-CD1 4.09Å; V147-I207 HydrophobicContact CB-CG1 4.47Å; V147-I207 HydrophobicContact CG2-CD1 3.76Å; V147-I207 HydrophobicContact CG2-CG1 4.06Å; V147-I207 HydrophobicContact CG2-CG2 3.84Å; S148-I207 VanDerWaalsContact O-CD1 3.26Å; S148-I207 WeakPolarHBondContact O-CD1 3.4Å; T182-I207 HydrophobicContact CG2-CB 4.3Å; T182-I207 HydrophobicContact CG2-CG1 3.98Å; T182-I207 HydrophobicContact CG2-CG2 4.15Å; V184-I207 HydrophobicContact CG2-CG2 3.61Å; V189-I207 HydrophobicContact CG2-CG2 4.07Å; V204-I207 HydrophobicContact CG2-CG1 4.18Å; I207-T209 HydrophobicContact CG2-CG2 4.03Å; I207-I214 HydrophobicContact CB-CB 4.18Å; I207-I214 HydrophobicContact CB-CD1 4.4Å; I207-I214 PolarHBondContact N-O 2.83Å; I207-I214 PolarHBondContact O-N 2.91Å; I207-T216 HydrophobicContact CD1-CG2 3.74Å; I207-T216 HydrophobicContact CG1-CG2 3.87Å
208L98.8Very high97.5Very high0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-100.8120.7175.8-48.7-175000109.2K52 V53 V181 T182 V183 V184 V213K52-L208 HydrophobicContact CB-CD1 4.27Å; K52-L208 HydrophobicContact CB-CD2 4.38Å; V53-L208 HydrophobicContact CB-CD1 3.99Å; V181-L208 HydrophobicContact CG1-CD1 3.58Å; V181-L208 HydrophobicContact CG1-CD2 4.28Å; V181-L208 HydrophobicContact CG1-CG 3.58Å; T182-L208 PolarHBondContact O-N 2.91Å; V183-L208 WeakPolarHBondContact CA-O 3.44Å; V183-L208 HydrophobicContact CG1-CB 4.46Å; V183-L208 HydrophobicContact CG2-CB 4.22Å; V183-L208 HydrophobicContact CG2-CD1 4.17Å; V184-L208 PolarHBondContact N-O 2.83Å; L208-V213 HydrophobicContact CD2-CB 4.23Å; L208-V213 HydrophobicContact CD2-CG1 3.7Å; L208-V213 HydrophobicContact CD2-CG2 3.91Å
209T98.6Very high97.5Very high0 Ų049.6 Ų49.60%025%0.249CC..  trans-120.1164.7176.565.10000110.2K52 V184 D186 V189 I207 T211 R212K52-T209 WeakPolarHBondContact CE-O 3.45Å; K52-T209 PolarHBondContact NZ-O 3.17Å; V184-T209 HydrophobicContact CG2-CG2 4.19Å; V184-T209 WeakPolarHBondContact O-CA 3.29Å; D186-T209 WeakPolarHBondContact OD1-CB 3.24Å; D186-T209 PolarHBondContact OD1-OG1 2.88Å; V189-T209 HydrophobicContact CG2-CG2 3.96Å; I207-T209 HydrophobicContact CG2-CG2 4.03Å; T209-T211 PolarHBondContact O-N 3.45Å; T209-T211 PolarHBondContact OG1-N 2.87Å; T209-R212 PolarHBondContact N-O 3.26Å; T209-R212 WeakPolarHBondContact OG1-CG 3.33Å; T209-R212 PolarHBondContact OG1-N 3.2Å; T209-R212 PolarHBondContact OG1-O 2.88Å
210P98.2Very high97.4Very high42 Ų4246.8 Ų46.827%0.27323%0.23SC..SBendtrans-50.8-36.6170.4-30.136000113.6F43 A49 K52 V184 D186F43-P210 HydrophobicContact CD2-CG 4.34Å; F43-P210 HydrophobicContact CE2-CG 3.83Å; A49-P210 HydrophobicContact CB-CG 4.34Å; K52-P210 PolarHBondContact NZ-O 2.88Å; V184-P210 WeakPolarHBondContact O-CD 3.11Å; D186-P210 WeakPolarHBondContact OD2-CD 3.18Å
211T97.3Very high97.4Very high95 Ų9547.9 Ų47.958%0.58324%0.243SC*.SBendtrans-95.5-29.6-174.4730000114.3D186 T209D186-T211 WeakPolarHBondContact OD1-CB 3.25Å; D186-T211 WeakPolarHBondContact OD1-CG2 3.49Å; D186-T211 PolarHBondContact OD1-OG1 3.1Å; T209-T211 PolarHBondContact O-N 3.45Å; T209-T211 PolarHBondContact OG1-N 2.87Å
212R95.9Very high97.4Very high65 Ų6547.7 Ų47.725%0.24524%0.242CC..  trans-150.7161.5-169.356-172.9177.4144.87.1114.8E149 T209 I214E149-R212 IonicContact OE1-CZ 3.89Å; E149-R212 VanDerWaalsContact OE1-CZ 3.24Å; E149-R212 IonicContact OE1-NH1 3.11Å; E149-R212 PolarHBondContact OE1-NH1 3.28Å; E149-R212 IonicContact OE1-NH2 2.69Å; E149-R212 PolarHBondContact OE1-NH2 3.15Å; T209-R212 PolarHBondContact N-O 3.26Å; T209-R212 WeakPolarHBondContact OG1-CG 3.33Å; T209-R212 PolarHBondContact OG1-N 3.2Å; T209-R212 PolarHBondContact OG1-O 2.88Å; R212-I214 HydrophobicContact CG-CD1 4.18Å; R212-I214 HydrophobicContact CG-CG1 3.98Å; R212-I214 VanDerWaalsContact CZ-CD1 3.46Å
213V98.4Very high97.3Very high56 Ų5647.9 Ų47.934%0.33924%0.244SC..EExtended strand (participates in β ladder)trans-109.8124.9166.9177.40000107.1K52 L56 Y206 L208K52-V213 HydrophobicContact CB-CG2 3.97Å; K52-V213 HydrophobicContact CD-CG2 3.73Å; K52-V213 HydrophobicContact CG-CG2 4.42Å; L56-V213 HydrophobicContact CD2-CG1 4.17Å; Y206-V213 HydrophobicContact CD1-CG1 4.19Å; L208-V213 HydrophobicContact CD2-CB 4.23Å; L208-V213 HydrophobicContact CD2-CG1 3.7Å; L208-V213 HydrophobicContact CD2-CG2 3.91Å
214I98.4Very high97.2Very high19 Ų1954 Ų5410%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-118.2126.5-177.1-49170.3000107.9E149 Y206 I207 R212E149-I214 HydrophobicContact CG-CD1 4.38Å; E149-I214 HydrophobicContact CG-CG2 4.48Å; Y206-I214 CarbonylContact C-O 3.56Å; Y206-I214 VanDerWaalsContact CA-O 3.24Å; Y206-I214 WeakPolarHBondContact CA-O 3.31Å; I207-I214 HydrophobicContact CB-CB 4.18Å; I207-I214 HydrophobicContact CB-CD1 4.4Å; I207-I214 PolarHBondContact N-O 2.83Å; I207-I214 PolarHBondContact O-N 2.91Å; R212-I214 HydrophobicContact CG-CD1 4.18Å; R212-I214 HydrophobicContact CG-CG1 3.98Å; R212-I214 VanDerWaalsContact CZ-CD1 3.46Å
215K98.4Very high97Very high128 Ų12854.8 Ų54.856%0.55728%0.28SS*.EExtended strand (participates in β ladder)trans-93.3125.8167.3-171.7-179.5-177.8-172.50107.9D205 Y206D205-K215 WeakPolarHBondContact O-CA 3.43Å; Y206-K215 HydrophobicContact CD1-CB 4.07Å; Y206-K215 HydrophobicContact CD1-CG 4.36Å; Y206-K215 HydrophobicContact CE1-CB 3.72Å; Y206-K215 HydrophobicContact CE1-CD 4.18Å; Y206-K215 HydrophobicContact CE1-CG 3.78Å
216T97.2Very high96.8Very high11 Ų1153.8 Ų53.87%0.06728%0.275CS..  trans-87.6-21.7-16761.90000114.4E149 V204 D205 I207 C218E149-T216 VanDerWaalsContact O-CA 3.22Å; E149-T216 WeakPolarHBondContact O-CA 3.44Å; E149-T216 WeakPolarHBondContact O-CB 3.44Å; V204-T216 HydrophobicContact CG2-CG2 4.34Å; V204-T216 PolarHBondContact O-OG1 2.88Å; D205-T216 WeakPolarHBondContact CA-OG1 3.46Å; D205-T216 PolarHBondContact O-N 2.81Å; D205-T216 PolarHBondContact O-OG1 2.83Å; I207-T216 HydrophobicContact CD1-CG2 3.74Å; I207-T216 HydrophobicContact CG1-CG2 3.87Å; T216-C218 PolarHBondContact O-N 2.81Å; T216-C218 VanDerWaalsContact O-N 3.1Å; T216-C218 PolarHBondContact OG1-N 2.92Å
217E94.9Very high96.6Very high132 Ų13254.2 Ų54.262%0.61728%0.28SS*.  trans48.935-172.7-53.8-164.9146.500113.4K219E217-K219 WeakPolarHBondContact O-CD 3.37Å; E217-K219 WeakPolarHBondContact O-CE 3.44Å; E217-K219 PolarHBondContact O-N 2.72Å
218C95.8Very high96.5Very high27 Ų2754.7 Ų54.718%0.18228%0.282CS..  trans-50.4131-174-165.40000111.6K150 T216K150-C218 WeakPolarHBondContact O-CA 3.45Å; K150-C218 WeakPolarHBondContact O-CB 3.46Å; K150-C218 PolarHBondContact O-SG 3.3Å; T216-C218 PolarHBondContact O-N 2.81Å; T216-C218 VanDerWaalsContact O-N 3.1Å; T216-C218 PolarHBondContact OG1-N 2.92Å
219K94.4Very high96.2Very high183 Ų18358.2 Ų58.280%0.79630%0.303SS*.  trans-96.2-12.3178.9-55-55.7179.8-164.30113.1E217E217-K219 WeakPolarHBondContact O-CD 3.37Å; E217-K219 WeakPolarHBondContact O-CE 3.44Å; E217-K219 PolarHBondContact O-N 2.72Å
220L95.1Very high95.9Very high51 Ų5161.4 Ų61.427%0.26732%0.317SS..SBendtrans-78.5131.8177.2-64177000109.3I197 T203I197-L220 HydrophobicContact CB-CD1 4.13Å; I197-L220 HydrophobicContact CG2-CD1 3.95Å; T203-L220 HydrophobicContact CG2-CB 3.77Å; T203-L220 HydrophobicContact CG2-CD1 4.43Å
221P95.3Very high95.6Very high93 Ų9359.9 Ų59.960%0.60431%0.307SS*.PPolyproline II helixtrans-67.7150.1-177.929.4-35.4000111.1
222K97.8Very high95.1Very high10 Ų1056 Ų564%0.04328%0.283CS..PPolyproline II helixtrans-72.3150.5169.6-66.1163.2-173.91640109.9W165 E176 T178 V180 L202 D205 Q224W165-K222 HydrophobicContact CH2-CD 3.83Å; W165-K222 HydrophobicContact CZ2-CB 3.67Å; W165-K222 HydrophobicContact CZ2-CD 3.71Å; W165-K222 HydrophobicContact CZ2-CG 4.07Å; E176-K222 PolarHBondContact O-NZ 2.91Å; E176-K222 PolarHBondContact OE1-N 3.18Å; E176-K222 VanDerWaalsContact OE1-N 3.17Å; E176-K222 PolarHBondContact OE2-N 3.28Å; T178-K222 PolarHBondContact O-NZ 2.9Å; V180-K222 HydrophobicContact CG2-CD 4.33Å; L202-K222 HydrophobicContact CD1-CG 4.4Å; D205-K222 IonicContact OD1-NZ 3.71Å; D205-K222 PolarHBondContact OD1-NZ 3.45Å; D205-K222 WeakPolarHBondContact OD2-CE 3.44Å; D205-K222 IonicContact OD2-NZ 2.87Å; D205-K222 PolarHBondContact OD2-NZ 2.98Å; K222-Q224 PolarHBondContact O-N 3.25Å; K222-Q224 PolarHBondContact O-NE2 2.78Å
223P96.4Very high94.7Very high7 Ų756 Ų565%0.04530%0.297CS..PPolyproline II helixtrans-60.3132.7176.4-21.931.1000111.4W165 H200W165-P223 PolarHBondContact NE1-O 3.07Å; H200-P223 WeakPolarHBondContact O-CG 3.45Å
224Q94.8Very high94.2Very high130 Ų13058 Ų5861%0.60730%0.302SS*.  trans-90.8-2.2-174.1-60.5-60.4-53.100114E176 K222E176-Q224 PolarHBondContact OE2-NE2 2.73Å; K222-Q224 PolarHBondContact O-N 3.25Å; K222-Q224 PolarHBondContact O-NE2 2.78Å
225G95.1Very high93.6Very high16 Ų1660.6 Ų60.617%0.16531%0.313CS..SBendtrans163.2-177.6-175.900000112.2A166 I227A166-G225 WeakPolarHBondContact CB-O 3.38Å; A166-G225 WeakPolarHBondContact O-CA 3.12Å; G225-I227 PolarHBondContact O-N 3.43Å
226V95Very high93.1Very high16 Ų1655 Ų5510%0.09729%0.289CS..  trans-71.3125.9176.4-179.60000110.4L163 A166 M167 S170 W228 L231 L245L163-V226 HydrophobicContact CD1-CG1 4.49Å; L163-V226 HydrophobicContact CD1-CG2 4.44Å; A166-V226 HydrophobicContact CB-CG2 4.02Å; M167-V226 HydrophobicContact CG-CG2 4.07Å; S170-V226 PolarHBondContact OG-N 3.09Å; V226-W228 HydrophobicContact CB-CZ2 4.2Å; V226-W228 HydrophobicContact CG1-CD2 3.77Å; V226-W228 HydrophobicContact CG1-CE3 4.06Å; V226-W228 HydrophobicContact CG1-CG 4.23Å; V226-W228 HydrophobicContact CG1-CH2 4.18Å; V226-W228 HydrophobicContact CG1-CZ2 3.93Å; V226-W228 HydrophobicContact CG1-CZ3 4.25Å; V226-W228 PolarHBondContact O-N 2.74Å; V226-L231 HydrophobicContact CG1-CD1 3.51Å; V226-L245 HydrophobicContact CG2-CD2 3.79Å
227I94.9Very high92.6Very high57 Ų5760.3 Ų60.329%0.29231%0.313SS..  trans-91.589.8171.6-51.9-178.2000107.9H200 G225 T229 K230H200-I227 HydrophobicContact CB-CD1 4.12Å; G225-I227 PolarHBondContact O-N 3.43Å; I227-T229 PolarHBondContact O-N 2.63Å; I227-K230 HydrophobicContact CB-CB 4.45Å; I227-K230 HydrophobicContact CB-CD 4.2Å; I227-K230 HydrophobicContact CB-CG 4.35Å; I227-K230 HydrophobicContact CD1-CD 4.27Å; I227-K230 HydrophobicContact CG2-CB 4.36Å; I227-K230 HydrophobicContact CG2-CD 4.02Å; I227-K230 HydrophobicContact CG2-CG 3.88Å; I227-K230 WeakPolarHBondContact O-CB 3.33Å; I227-K230 PolarHBondContact O-N 2.76Å
228W95.1Very high92.2Very high10 Ų1058.6 Ų58.64%0.03830%0.303CS..G310 helixtrans-58.2-33.1-172.9-68.8104.6000113.9V226 K230 L231 L236 L242 L245 R246 E249 V256 T257 L258V226-W228 HydrophobicContact CB-CZ2 4.2Å; V226-W228 HydrophobicContact CG1-CD2 3.77Å; V226-W228 HydrophobicContact CG1-CE3 4.06Å; V226-W228 HydrophobicContact CG1-CG 4.23Å; V226-W228 HydrophobicContact CG1-CH2 4.18Å; V226-W228 HydrophobicContact CG1-CZ2 3.93Å; V226-W228 HydrophobicContact CG1-CZ3 4.25Å; V226-W228 PolarHBondContact O-N 2.74Å; W228-K230 PolarHBondContact O-N 2.96Å; W228-K230 VanDerWaalsContact O-N 3.14Å; W228-L231 HydrophobicContact CE3-CD1 3.81Å; W228-L231 HydrophobicContact CZ3-CD1 3.91Å; W228-L231 PolarHBondContact O-N 3.39Å; W228-L236 HydrophobicContact CZ3-CD1 4.26Å; W228-L242 HydrophobicContact CH2-CB 4.35Å; W228-L242 HydrophobicContact CH2-CD2 4.4Å; W228-L242 WeakPolarHBondContact CH2-O 3.39Å; W228-L242 HydrophobicContact CZ3-CB 4.38Å; W228-L245 HydrophobicContact CZ2-CD2 4.49Å; W228-L245 HydrophobicContact CZ2-CG 4.27Å; W228-R246 HydrophobicContact CD2-CG 4.29Å; W228-R246 HydrophobicContact CE3-CB 4.46Å; W228-R246 HydrophobicContact CE3-CG 4.08Å; W228-R246 HydrophobicContact CH2-CB 3.42Å; W228-R246 VanDerWaalsContact CH2-CB 3.42Å; W228-R246 HydrophobicContact CH2-CG 3.9Å; W228-R246 HydrophobicContact CZ2-CB 3.79Å; W228-R246 HydrophobicContact CZ2-CG 4.07Å; W228-R246 HydrophobicContact CZ3-CB 3.78Å; W228-R246 HydrophobicContact CZ3-CG 3.89Å; W228-E249 PolarHBondContact NE1-OE2 2.86Å; W228-V256 HydrophobicContact CD2-CB 4.49Å; W228-V256 HydrophobicContact CG-CB 4.27Å; W228-V256 HydrophobicContact CG-CG1 4.48Å; W228-T257 CarbonylContact C-O 3.53Å; W228-T257 VanDerWaalsContact CB-O 3.26Å; W228-T257 WeakPolarHBondContact CB-O 3.28Å; W228-L258 HydrophobicContact CE3-CD2 3.85Å
229T94.2Very high91.8Very high74 Ų7457.6 Ų57.645%0.45430%0.296SS..G310 helixtrans-65.5-15.1176.455.20000113.7I227 T257 G259I227-T229 PolarHBondContact O-N 2.63Å; T229-T257 PolarHBondContact N-O 2.96Å; T229-T257 VanDerWaalsContact N-O 3.14Å; T229-G259 WeakPolarHBondContact O-CA 3.35Å
230K91Very high91.4Very high67 Ų6752 Ų5229%0.29128%0.279SS..G310 helixtrans-93.52.8172.5-68.4-177.6176.3-72.70113.9H200 I227 W228 H263H200-K230 HydrophobicContact CB-CD 4.16Å; I227-K230 HydrophobicContact CB-CB 4.45Å; I227-K230 HydrophobicContact CB-CD 4.2Å; I227-K230 HydrophobicContact CB-CG 4.35Å; I227-K230 HydrophobicContact CD1-CD 4.27Å; I227-K230 HydrophobicContact CG2-CB 4.36Å; I227-K230 HydrophobicContact CG2-CD 4.02Å; I227-K230 HydrophobicContact CG2-CG 3.88Å; I227-K230 WeakPolarHBondContact O-CB 3.33Å; I227-K230 PolarHBondContact O-N 2.76Å; W228-K230 PolarHBondContact O-N 2.96Å; W228-K230 VanDerWaalsContact O-N 3.14Å; K230-H263 WeakPolarHBondContact CA-NE2 3.27Å; K230-H263 PolarHBondContact O-CD2 2.9Å; K230-H263 VanDerWaalsContact O-CD2 3.24Å
231L91.5Very high91Very high10 Ų1050.4 Ų50.45%0.05227%0.27CS..  trans-113.3140.4178-59.7179.2000110L163 V226 W228 K235 L236 L242 L258 G259L163-L231 HydrophobicContact CD1-CD1 4.26Å; L163-L231 HydrophobicContact CD1-CD2 4.37Å; V226-L231 HydrophobicContact CG1-CD1 3.51Å; W228-L231 HydrophobicContact CE3-CD1 3.81Å; W228-L231 HydrophobicContact CZ3-CD1 3.91Å; W228-L231 PolarHBondContact O-N 3.39Å; L231-K235 HydrophobicContact CD2-CB 4.49Å; L231-K235 HydrophobicContact CD2-CD 3.57Å; L231-L236 HydrophobicContact CB-CD1 4.14Å; L231-L242 HydrophobicContact CD1-CD1 4.03Å; L231-L258 HydrophobicContact CB-CD2 4.29Å; L231-G259 PolarHBondContact O-N 3.22Å
232D87.3Confident90.7Very high14 Ų1446 Ų468%0.07524%0.242CC..  trans-106.9171174.861.36000110.8E234 K235 L236 S262D232-E234 PolarHBondContact O-N 3.27Å; D232-E234 PolarHBondContact OD1-N 2.83Å; D232-K235 PolarHBondContact O-N 3.18Å; D232-K235 VanDerWaalsContact OD1-CB 3.29Å; D232-K235 WeakPolarHBondContact OD1-CB 3.4Å; D232-K235 WeakPolarHBondContact OD1-CG 3.37Å; D232-K235 PolarHBondContact OD1-N 3Å; D232-L236 WeakPolarHBondContact O-CD1 3.35Å; D232-L236 PolarHBondContact O-N 3.42Å; D232-S262 VanDerWaalsContact OD2-CA 3.26Å; D232-S262 WeakPolarHBondContact OD2-CA 3.3Å; D232-S262 PolarHBondContact OD2-OG 2.87Å
233A87.9Confident90.4Very high66 Ų6649.6 Ų49.655%0.54526%0.257SS..Hα-helixtrans-58.5-34.8176.600000112.2L236 E237A233-L236 WeakPolarHBondContact O-CB 3.34Å; A233-L236 PolarHBondContact O-N 3.03Å; A233-E237 PolarHBondContact O-N 2.8Å
234E87.5Confident90Very high96 Ų9654.5 Ų54.545%0.44928%0.278SS..Hα-helixtrans-64-43.6179.9-166.6-169.9172.700112.1D232 L236 E237 K238D232-E234 PolarHBondContact O-N 3.27Å; D232-E234 PolarHBondContact OD1-N 2.83Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.22Å; E234-E237 PolarHBondContact O-N 3.18Å; E234-K238 VanDerWaalsContact CD-NZ 3.28Å; E234-K238 HydrophobicContact CG-CD 4.43Å; E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 3.28Å; E234-K238 WeakPolarHBondContact OE1-CE 3.48Å; E234-K238 IonicContact OE1-NZ 2.76Å; E234-K238 PolarHBondContact OE1-NZ 2.97Å; E234-K238 IonicContact OE2-NZ 2.63Å
235K85.1Confident89.8Confident75 Ų7548.5 Ų48.533%0.32625%0.25SS..Hα-helixtrans-63.1-39.2174.3-84.6-175.6-178.1172.80112L231 D232 E237 K238 I239L231-K235 HydrophobicContact CD2-CB 4.49Å; L231-K235 HydrophobicContact CD2-CD 3.57Å; D232-K235 PolarHBondContact O-N 3.18Å; D232-K235 VanDerWaalsContact OD1-CB 3.29Å; D232-K235 WeakPolarHBondContact OD1-CB 3.4Å; D232-K235 WeakPolarHBondContact OD1-CG 3.37Å; D232-K235 PolarHBondContact OD1-N 3Å; K235-E237 VanDerWaalsContact C-N 3.32Å; K235-E237 PolarHBondContact O-N 2.93Å; K235-K238 PolarHBondContact O-N 3.24Å; K235-I239 PolarHBondContact O-N 3.14Å
236L88.6Confident89.8Confident11 Ų1151.1 Ų51.16%0.05826%0.255CS..Hα-helixtrans-62.3-38.3176-95.673.7000112.2W228 L231 D232 A233 E234 I239 L242 K243 L258W228-L236 HydrophobicContact CZ3-CD1 4.26Å; L231-L236 HydrophobicContact CB-CD1 4.14Å; D232-L236 WeakPolarHBondContact O-CD1 3.35Å; D232-L236 PolarHBondContact O-N 3.42Å; A233-L236 WeakPolarHBondContact O-CB 3.34Å; A233-L236 PolarHBondContact O-N 3.03Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.22Å; L236-I239 CarbonylContact O-C 3.12Å; L236-L242 HydrophobicContact CD1-CD1 4.49Å; L236-L242 HydrophobicContact CG-CB 4.4Å; L236-K243 HydrophobicContact CB-CG 4.48Å; L236-K243 HydrophobicContact CD2-CG 4.46Å; L236-L258 HydrophobicContact CD1-CD1 4.22Å; L236-L258 HydrophobicContact CD1-CD2 3.61Å; L236-L258 HydrophobicContact CD2-CD1 3.82Å; L236-L258 HydrophobicContact CD2-CD2 4.16Å
237E87.4Confident89.6Confident122 Ų12252.2 Ų52.257%0.5727%0.266SS*.Hα-helixtrans-68.2-41.7174.3-69.5-52.6138.800112.1A233 E234 K235 I239 K243A233-E237 PolarHBondContact O-N 2.8Å; E234-E237 PolarHBondContact O-N 3.18Å; K235-E237 VanDerWaalsContact C-N 3.32Å; K235-E237 PolarHBondContact O-N 2.93Å; E237-I239 PolarHBondContact O-N 2.81Å; E237-K243 WeakPolarHBondContact OE1-CE 3.47Å; E237-K243 IonicContact OE1-NZ 2.73Å; E237-K243 PolarHBondContact OE1-NZ 2.83Å; E237-K243 IonicContact OE2-NZ 2.78Å; E237-K243 PolarHBondContact OE2-NZ 3.47Å
238K86.3Confident89.4Confident95 Ų9553.3 Ų53.341%0.41327%0.271SS..Hα-helixtrans-67.4-25179.7-74.4175.5-176.61680113.3E234 K235E234-K238 VanDerWaalsContact CD-NZ 3.28Å; E234-K238 HydrophobicContact CG-CD 4.43Å; E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 3.28Å; E234-K238 WeakPolarHBondContact OE1-CE 3.48Å; E234-K238 IonicContact OE1-NZ 2.76Å; E234-K238 PolarHBondContact OE1-NZ 2.97Å; E234-K238 IonicContact OE2-NZ 2.63Å; K235-K238 PolarHBondContact O-N 3.24Å
239I87.6Confident89.4Confident6 Ų653.3 Ų53.33%0.03127%0.272CS..  trans-129.779.7-174.2-50.5176000109.1L94 Y160 L163 K235 L236 E237 I241 L242L94-I239 HydrophobicContact CB-CG2 3.64Å; L94-I239 HydrophobicContact CD1-CG2 4.34Å; Y160-I239 HydrophobicContact CD1-CD1 4Å; Y160-I239 HydrophobicContact CE1-CD1 3.58Å; Y160-I239 HydrophobicContact CE1-CG1 4.01Å; L163-I239 HydrophobicContact CD2-CD1 3.33Å; K235-I239 PolarHBondContact O-N 3.14Å; L236-I239 CarbonylContact O-C 3.12Å; E237-I239 PolarHBondContact O-N 2.81Å; I239-I241 HydrophobicContact CG2-CG2 3.62Å; I239-I241 PolarHBondContact O-N 3.42Å; I239-L242 HydrophobicContact CB-CD1 3.94Å; I239-L242 HydrophobicContact CB-CG 4.07Å; I239-L242 HydrophobicContact CD1-CD1 4.31Å; I239-L242 HydrophobicContact CG2-CD1 4.16Å; I239-L242 HydrophobicContact CG2-CG 3.8Å; I239-L242 WeakPolarHBondContact O-CB 3.29Å; I239-L242 PolarHBondContact O-N 3.32Å
240P85.1Confident89.5Confident66 Ų6655.5 Ų55.543%0.42928%0.277SS..Hα-helixtrans-57.7-29-171.4-27.635.8000114.6L242 K243P240-L242 PolarHBondContact O-N 3.5Å; P240-K243 WeakPolarHBondContact O-CB 3.38Å; P240-K243 PolarHBondContact O-N 2.95Å
241I86.4Confident89.6Confident18 Ų1859.9 Ų59.99%0.09230%0.298CS..Hα-helixtrans-63.1-24.8178.7-166.8163.5000112.6L94 L98 L131 M167 I239 K243 K244 L245L94-I241 HydrophobicContact CB-CG2 4.07Å; L94-I241 WeakPolarHBondContact O-CG2 3.46Å; L98-I241 HydrophobicContact CB-CD1 4.02Å; L131-I241 HydrophobicContact CD1-CD1 4.35Å; L131-I241 HydrophobicContact CD1-CG1 3.67Å; L131-I241 HydrophobicContact CD2-CD1 3.7Å; L131-I241 HydrophobicContact CD2-CG1 3.78Å; L131-I241 HydrophobicContact CG-CD1 3.8Å; L131-I241 HydrophobicContact CG-CG1 3.69Å; M167-I241 HydrophobicContact CE-CB 4.23Å; M167-I241 HydrophobicContact CE-CD1 4.06Å; M167-I241 HydrophobicContact CE-CG1 3.78Å; M167-I241 HydrophobicContact CE-CG2 3.54Å; M167-I241 HydrophobicContact SD-CG2 4.27Å; I239-I241 HydrophobicContact CG2-CG2 3.62Å; I239-I241 PolarHBondContact O-N 3.42Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.05Å; I241-K244 PolarHBondContact O-N 3.33Å; I241-L245 PolarHBondContact O-N 3.07Å; I241-L245 VanDerWaalsContact O-N 3.07Å
242L90.4Very high89.6Confident0 Ų062.9 Ų62.90%033%0.325CS..Hα-helixtrans-65.3-34.5173-69.8179.5000112.2L163 M167 W228 L231 L236 I239 P240 K244 L245 R246L163-L242 HydrophobicContact CD1-CD1 4.47Å; L163-L242 HydrophobicContact CD1-CD2 3.89Å; L163-L242 HydrophobicContact CD2-CD1 3.87Å; L163-L242 HydrophobicContact CD2-CD2 4.18Å; L163-L242 HydrophobicContact CD2-CG 4.35Å; L163-L242 HydrophobicContact CG-CD2 4.25Å; M167-L242 HydrophobicContact CE-CD2 4.47Å; M167-L242 HydrophobicContact CG-CD2 3.97Å; M167-L242 HydrophobicContact SD-CD2 3.68Å; W228-L242 HydrophobicContact CH2-CB 4.35Å; W228-L242 HydrophobicContact CH2-CD2 4.4Å; W228-L242 WeakPolarHBondContact CH2-O 3.39Å; W228-L242 HydrophobicContact CZ3-CB 4.38Å; L231-L242 HydrophobicContact CD1-CD1 4.03Å; L236-L242 HydrophobicContact CD1-CD1 4.49Å; L236-L242 HydrophobicContact CG-CB 4.4Å; I239-L242 HydrophobicContact CB-CD1 3.94Å; I239-L242 HydrophobicContact CB-CG 4.07Å; I239-L242 HydrophobicContact CD1-CD1 4.31Å; I239-L242 HydrophobicContact CG2-CD1 4.16Å; I239-L242 HydrophobicContact CG2-CG 3.8Å; I239-L242 WeakPolarHBondContact O-CB 3.29Å; I239-L242 PolarHBondContact O-N 3.32Å; P240-L242 PolarHBondContact O-N 3.5Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.14Å; L242-L245 PolarHBondContact O-N 3.34Å; L242-R246 VanDerWaalsContact O-CB 3.27Å; L242-R246 WeakPolarHBondContact O-CB 3.4Å; L242-R246 PolarHBondContact O-N 3.15Å
243K90.3Very high90Very high86 Ų8665.7 Ų65.737%0.37436%0.357SS..Hα-helixtrans-61.8-41.7177.1-62.7-179.9176.9-178.90111L236 E237 P240 I241 A247L236-K243 HydrophobicContact CB-CG 4.48Å; L236-K243 HydrophobicContact CD2-CG 4.46Å; E237-K243 WeakPolarHBondContact OE1-CE 3.47Å; E237-K243 IonicContact OE1-NZ 2.73Å; E237-K243 PolarHBondContact OE1-NZ 2.83Å; E237-K243 IonicContact OE2-NZ 2.78Å; E237-K243 PolarHBondContact OE2-NZ 3.47Å; P240-K243 WeakPolarHBondContact O-CB 3.38Å; P240-K243 PolarHBondContact O-N 2.95Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-K243 PolarHBondContact O-N 3.05Å; K243-A247 PolarHBondContact O-N 2.99Å; K243-A247 VanDerWaalsContact O-N 3.14Å
244K89Confident90.2Very high109 Ų10967.3 Ų67.347%0.47435%0.352SS..Hα-helixtrans-65.2-46.3176-173.8176.4176-176.60111.1L131 I241 L242 A247 L248L131-K244 HydrophobicContact CD1-CB 4Å; L131-K244 HydrophobicContact CD1-CD 4.04Å; L131-K244 HydrophobicContact CD1-CG 3.95Å; I241-K244 PolarHBondContact O-N 3.33Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.14Å; K244-A247 PolarHBondContact O-N 3.04Å; K244-L248 HydrophobicContact CG-CD1 4.48Å; K244-L248 WeakPolarHBondContact O-CG 3.08Å; K244-L248 PolarHBondContact O-N 2.67Å; K244-L248 VanDerWaalsContact O-N 3.17Å
245L90.7Very high90.5Very high5 Ų568.2 Ų68.23%0.02636%0.36CS..Hα-helixtrans-62.6-42.7177.9-177.861.9000111.9L131 M167 V226 W228 I241 L242 A247 L248 E249L131-L245 HydrophobicContact CD1-CB 4.05Å; M167-L245 HydrophobicContact CB-CD2 4.06Å; M167-L245 HydrophobicContact CE-CD2 4.47Å; M167-L245 HydrophobicContact CG-CD2 3.69Å; V226-L245 HydrophobicContact CG2-CD2 3.79Å; W228-L245 HydrophobicContact CZ2-CD2 4.49Å; W228-L245 HydrophobicContact CZ2-CG 4.27Å; I241-L245 PolarHBondContact O-N 3.07Å; I241-L245 VanDerWaalsContact O-N 3.07Å; L242-L245 PolarHBondContact O-N 3.34Å; L245-A247 PolarHBondContact O-N 3.33Å; L245-L248 WeakPolarHBondContact O-CB 3.38Å; L245-L248 PolarHBondContact O-N 2.88Å; L245-E249 HydrophobicContact CD1-CG 4.28Å; L245-E249 HydrophobicContact CG-CG 4.49Å; L245-E249 PolarHBondContact O-N 3.33Å
246R93.5Very high90.9Very high71 Ų7165.1 Ų65.127%0.26835%0.347SS..Hα-helixtrans-57.1-48.4177.7-163.9178.9174.4-147.1-6.6111.6W228 L242 L248 E249 E250 V256W228-R246 HydrophobicContact CD2-CG 4.29Å; W228-R246 HydrophobicContact CE3-CB 4.46Å; W228-R246 HydrophobicContact CE3-CG 4.08Å; W228-R246 HydrophobicContact CH2-CB 3.42Å; W228-R246 VanDerWaalsContact CH2-CB 3.42Å; W228-R246 HydrophobicContact CH2-CG 3.9Å; W228-R246 HydrophobicContact CZ2-CB 3.79Å; W228-R246 HydrophobicContact CZ2-CG 4.07Å; W228-R246 HydrophobicContact CZ3-CB 3.78Å; W228-R246 HydrophobicContact CZ3-CG 3.89Å; L242-R246 VanDerWaalsContact O-CB 3.27Å; L242-R246 WeakPolarHBondContact O-CB 3.4Å; L242-R246 PolarHBondContact O-N 3.15Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.01Å; R246-E249 PolarHBondContact O-N 3.22Å; R246-E250 WeakPolarHBondContact O-CB 3.2Å; R246-E250 PolarHBondContact O-N 3.45Å; R246-V256 HydrophobicContact CG-CB 3.67Å; R246-V256 HydrophobicContact CG-CG1 4.01Å; R246-V256 HydrophobicContact CG-CG2 4.12Å; R246-V256 PolarHBondContact NE-O 2.72Å; R246-V256 PolarHBondContact NH2-O 2.77Å
247A92.9Very high91.2Very high39 Ų3968.4 Ų68.432%0.32237%0.368SS..Hα-helixtrans-61.6-39178.100000112.2K243 K244 L245 Q251K243-A247 PolarHBondContact O-N 2.99Å; K243-A247 VanDerWaalsContact O-N 3.14Å; K244-A247 PolarHBondContact O-N 3.04Å; L245-A247 PolarHBondContact O-N 3.33Å; A247-Q251 WeakPolarHBondContact O-CB 3.36Å; A247-Q251 WeakPolarHBondContact O-CG 3.3Å; A247-Q251 PolarHBondContact O-N 3.33Å
248L90.7Very high91.5Very high79 Ų7964.3 Ų64.341%0.41435%0.35SS..Hα-helixtrans-66.1-41.2176-69.3171.3000112K244 L245 R246 A252K244-L248 HydrophobicContact CG-CD1 4.48Å; K244-L248 WeakPolarHBondContact O-CG 3.08Å; K244-L248 PolarHBondContact O-N 2.67Å; K244-L248 VanDerWaalsContact O-N 3.17Å; L245-L248 WeakPolarHBondContact O-CB 3.38Å; L245-L248 PolarHBondContact O-N 2.88Å; R246-L248 VanDerWaalsContact C-N 3.31Å; R246-L248 PolarHBondContact O-N 3.01Å; L248-A252 WeakPolarHBondContact O-CB 3.26Å; L248-A252 PolarHBondContact O-N 2.75Å; L248-A252 VanDerWaalsContact O-N 3.09Å
249E94.1Very high91.6Very high11 Ų1160.7 Ų60.75%0.05134%0.339CS..Hα-helixtrans-71.8-35.8178.8-73-161.8139.100112.6S170 W228 L245 R246 A252 G253 K254 V256S170-E249 WeakPolarHBondContact CB-OE1 3.18Å; S170-E249 PolarHBondContact OG-OE1 3.09Å; W228-E249 PolarHBondContact NE1-OE2 2.86Å; L245-E249 HydrophobicContact CD1-CG 4.28Å; L245-E249 HydrophobicContact CG-CG 4.49Å; L245-E249 PolarHBondContact O-N 3.33Å; R246-E249 PolarHBondContact O-N 3.22Å; E249-A252 CarbonylContact O-C 3.6Å; E249-A252 PolarHBondContact O-N 3.13Å; E249-G253 PolarHBondContact O-N 2.96Å; E249-K254 HydrophobicContact CB-CB 4.18Å; E249-K254 HydrophobicContact CB-CD 4.02Å; E249-K254 HydrophobicContact CB-CG 4.41Å; E249-K254 HydrophobicContact CG-CD 3.95Å; E249-K254 WeakPolarHBondContact O-CB 3.4Å; E249-K254 PolarHBondContact O-N 3.05Å; E249-K254 IonicContact OE1-NZ 3.58Å; E249-K254 PolarHBondContact OE1-NZ 2.62Å; E249-V256 HydrophobicContact CB-CG1 3.88Å
250E95.4Very high90.9Very high119 Ų11967.9 Ų67.956%0.55638%0.384SS*.Hα-helixtrans-62.5-45.4171.9-172.9171.5-145.200111.4R246 A252 G253 V256R246-E250 WeakPolarHBondContact O-CB 3.2Å; R246-E250 PolarHBondContact O-N 3.45Å; E250-A252 PolarHBondContact O-N 2.9Å; E250-G253 PolarHBondContact O-N 3.15Å; E250-V256 HydrophobicContact CB-CG1 4.29Å; E250-V256 HydrophobicContact CB-CG2 3.84Å; E250-V256 HydrophobicContact CG-CG2 4.01Å
251Q93.8Very high89.4Confident159 Ų15967.4 Ų67.474%0.74339%0.386SS*.Hα-helixtrans-61.3-29.6173.7-74.1169.713.300112.7A247 G253A247-Q251 WeakPolarHBondContact O-CB 3.36Å; A247-Q251 WeakPolarHBondContact O-CG 3.3Å; A247-Q251 PolarHBondContact O-N 3.33Å; Q251-G253 PolarHBondContact O-N 3.09Å
252A92.4Very high87.7Confident74 Ų7470.1 Ų70.161%0.61241%0.406SS*.THydrogen-bonded Turntrans-83.14.7174.300000113.5L248 E249 E250L248-A252 WeakPolarHBondContact O-CB 3.26Å; L248-A252 PolarHBondContact O-N 2.75Å; L248-A252 VanDerWaalsContact O-N 3.09Å; E249-A252 CarbonylContact O-C 3.6Å; E249-A252 PolarHBondContact O-N 3.13Å; E250-A252 PolarHBondContact O-N 2.9Å
253G93.9Very high85.6Confident73 Ų7374.7 Ų74.775%0.75343%0.427SS*.THydrogen-bonded Turntrans76.417.4177.700000115E249 E250 Q251E249-G253 PolarHBondContact O-N 2.96Å; E250-G253 PolarHBondContact O-N 3.15Å; Q251-G253 PolarHBondContact O-N 3.09Å
254K93.9Very high83.2Confident100 Ų10074.8 Ų74.844%0.43544%0.444SS..  trans-80.8150.9174.8-58.5-170.3-170.4176.40110.9E249 V256E249-K254 HydrophobicContact CB-CB 4.18Å; E249-K254 HydrophobicContact CB-CD 4.02Å; E249-K254 HydrophobicContact CB-CG 4.41Å; E249-K254 HydrophobicContact CG-CD 3.95Å; E249-K254 WeakPolarHBondContact O-CB 3.4Å; E249-K254 PolarHBondContact O-N 3.05Å; E249-K254 IonicContact OE1-NZ 3.58Å; E249-K254 PolarHBondContact OE1-NZ 2.62Å; K254-V256 PolarHBondContact O-N 3.41Å
255D92.8Very high81Confident114 Ų11472.6 Ų72.661%0.6145%0.446SS*.  trans-70.4116.2170.1-179.110.9000110.4T257D255-T257 WeakPolarHBondContact OD1-CB 3.42Å; D255-T257 PolarHBondContact OD1-N 3.49Å; D255-T257 PolarHBondContact OD1-OG1 3.42Å
256V94.6Very high78.9Confident10 Ų1074.9 Ų74.96%0.06146%0.457CS..  trans-115.225.3-179.7-63.90000112.4W228 R246 E249 E250 K254 L258W228-V256 HydrophobicContact CD2-CB 4.49Å; W228-V256 HydrophobicContact CG-CB 4.27Å; W228-V256 HydrophobicContact CG-CG1 4.48Å; R246-V256 HydrophobicContact CG-CB 3.67Å; R246-V256 HydrophobicContact CG-CG1 4.01Å; R246-V256 HydrophobicContact CG-CG2 4.12Å; R246-V256 PolarHBondContact NE-O 2.72Å; R246-V256 PolarHBondContact NH2-O 2.77Å; E249-V256 HydrophobicContact CB-CG1 3.88Å; E250-V256 HydrophobicContact CB-CG1 4.29Å; E250-V256 HydrophobicContact CB-CG2 3.84Å; E250-V256 HydrophobicContact CG-CG2 4.01Å; K254-V256 PolarHBondContact O-N 3.41Å; V256-L258 PolarHBondContact O-N 3.04Å
257T94.1Very high76.2Confident80 Ų8077.3 Ų77.349%0.49148%0.482SS..PPolyproline II helixtrans-63.2125.7178.4-58.40000110.4W228 T229 D255W228-T257 CarbonylContact C-O 3.53Å; W228-T257 VanDerWaalsContact CB-O 3.26Å; W228-T257 WeakPolarHBondContact CB-O 3.28Å; T229-T257 PolarHBondContact N-O 2.96Å; T229-T257 VanDerWaalsContact N-O 3.14Å; D255-T257 WeakPolarHBondContact OD1-CB 3.42Å; D255-T257 PolarHBondContact OD1-N 3.49Å; D255-T257 PolarHBondContact OD1-OG1 3.42Å
258L92.6Very high73.8Confident36 Ų3677.1 Ų77.119%0.18848%0.483CS..PPolyproline II helixtrans-80.2153.7176.7-63.1179.5000111.2W228 L231 L236 V256W228-L258 HydrophobicContact CE3-CD2 3.85Å; L231-L258 HydrophobicContact CB-CD2 4.29Å; L236-L258 HydrophobicContact CD1-CD1 4.22Å; L236-L258 HydrophobicContact CD1-CD2 3.61Å; L236-L258 HydrophobicContact CD2-CD1 3.82Å; L236-L258 HydrophobicContact CD2-CD2 4.16Å; V256-L258 PolarHBondContact O-N 3.04Å
259G88.4Confident71.3Confident19 Ų1975.9 Ų75.920%0.19648%0.477CS..PPolyproline II helixtrans-65.8143.5169.900000111.7T229 L231 A261T229-G259 WeakPolarHBondContact O-CA 3.35Å; L231-G259 PolarHBondContact O-N 3.22Å; G259-A261 VanDerWaalsContact C-N 3.34Å
260T73.8Confident68.6Low158 Ų15883 Ų8397%0.96951%0.51SS*.SBendtrans-82.8-9.1-179.149.80000113.9
261A54.4Low65.8Low56 Ų5683.7 Ų83.746%0.46352%0.523SS..SBendtrans-117.9137.8-179.200000110.6G259 H263G259-A261 VanDerWaalsContact C-N 3.34Å; A261-H263 VanDerWaalsContact C-N 3.32Å; A261-H263 PolarHBondContact O-N 2.78Å
262S49.4Very low62.8Low75 Ų7582.4 Ų82.452%0.52452%0.521SS..  trans-59.4104.4156.5-169.20000105.8D232 A264D232-S262 VanDerWaalsContact OD2-CA 3.26Å; D232-S262 WeakPolarHBondContact OD2-CA 3.3Å; D232-S262 PolarHBondContact OD2-OG 2.87Å; S262-A264 VanDerWaalsContact C-N 3.31Å; S262-A264 PolarHBondContact O-N 2.91Å
263H46.5Very low59.9Low96 Ų9687.3 Ų87.344%0.44453%0.531SS..  trans-53.6107.8171.1-84.4-67.3000105.2K230 A261 A265K230-H263 WeakPolarHBondContact CA-NE2 3.27Å; K230-H263 PolarHBondContact O-CD2 2.9Å; K230-H263 VanDerWaalsContact O-CD2 3.24Å; A261-H263 VanDerWaalsContact C-N 3.32Å; A261-H263 PolarHBondContact O-N 2.78Å; H263-A265 PolarHBondContact O-N 2.83Å
264A39.1Very low56.9Low87 Ų8789.1 Ų89.172%0.71953%0.53SS*.  trans-44.3114.6177.900000105.9S262 E266S262-A264 VanDerWaalsContact C-N 3.31Å; S262-A264 PolarHBondContact O-N 2.91Å; A264-E266 PolarHBondContact O-N 2.96Å; A264-E266 VanDerWaalsContact O-N 3.09Å
265A44.4Very low54.1Low64 Ų6494.3 Ų94.353%0.52955%0.552SS.*  trans-44.7128168.900000105.6H263 P267 L269H263-A265 PolarHBondContact O-N 2.83Å; A265-P267 VanDerWaalsContact O-N 3.12Å; A265-L269 HydrophobicContact CB-CB 3.89Å
266E46.9Very low51.4Low53 Ų53100.2 Ų100.225%0.24857%0.566CS.*  trans-41.1128.3-175.2-76.8-172.7-148.400108.8K13 W14 R17 A264 G268 L269K13-E266 WeakPolarHBondContact CB-OE2 3.45Å; K13-E266 WeakPolarHBondContact CD-OE1 3.5Å; W14-E266 PolarHBondContact N-OE2 3.01Å; R17-E266 IonicContact CZ-OE1 3.54Å; R17-E266 IonicContact CZ-OE2 3.93Å; R17-E266 IonicContact NH1-OE1 2.67Å; R17-E266 IonicContact NH1-OE2 2.59Å; R17-E266 PolarHBondContact NH1-OE2 2.93Å; R17-E266 IonicContact NH2-OE1 2.79Å; R17-E266 PolarHBondContact NH2-OE1 3.44Å; R17-E266 IonicContact NH2-OE2 2.61Å; R17-E266 PolarHBondContact NH2-OE2 3.27Å; A264-E266 PolarHBondContact O-N 2.96Å; A264-E266 VanDerWaalsContact O-N 3.09Å; E266-G268 PolarHBondContact O-N 3.13Å; E266-L269 PolarHBondContact O-N 3.45Å; E266-L269 VanDerWaalsContact O-N 3.16Å
267P35.4Very low48.6Very low121 Ų121108.1 Ų108.179%0.78660%0.603SS**THydrogen-bonded Turntrans-55.5100.1-166.818.2-30000109.6A265A265-P267 VanDerWaalsContact O-N 3.12Å
268G42.6Very low45.7Very low35 Ų35110 Ų11036%0.36162%0.616SS.*THydrogen-bonded Turntrans151.7-24-169.400000115.1W14 E266 Q270W14-G268 WeakPolarHBondContact CH2-O 3.33Å; W14-G268 WeakPolarHBondContact CZ2-O 3.39Å; E266-G268 PolarHBondContact O-N 3.13Å; G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.35Å
269L39.2Very low43Very low53 Ų53120 Ų12028%0.27765%0.651SS.*  trans-810178.1-98145.7000115W14 A265 E266 T271W14-L269 HydrophobicContact CZ3-CG 4.32Å; A265-L269 HydrophobicContact CB-CB 3.89Å; E266-L269 PolarHBondContact O-N 3.45Å; E266-L269 VanDerWaalsContact O-N 3.16Å; L269-T271 PolarHBondContact O-N 3.17Å; L269-T271 VanDerWaalsContact O-N 3.11Å
270Q36.9Very low40.4Very low161 Ų161130.5 Ų130.575%0.75269%0.685SS**SBendtrans-65.5113.8168.1-72.3-172.68.200108.8G268 N272G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.35Å; Q270-N272 PolarHBondContact O-N 3.33Å
271T35.5Very low38.4Very low134 Ų134133.8 Ų133.882%0.82268%0.68SS**  trans-67.469.617351.40000110.7L269 Q273L269-T271 PolarHBondContact O-N 3.17Å; L269-T271 VanDerWaalsContact O-N 3.11Å; T271-Q273 VanDerWaalsContact C-N 3.26Å; T271-Q273 PolarHBondContact O-N 2.9Å
272N30.9Very low37.4Very low132 Ų132137.3 Ų137.371%0.70670%0.698SS**  trans-73.790.6159.4-84.3-17.9000106.6Q270 P274Q270-N272 PolarHBondContact O-N 3.33Å; N272-P274 WeakPolarHBondContact O-CD 3.4Å; N272-P274 VanDerWaalsContact O-N 3.14Å
273Q31.8Very low36.4Very low176 Ų176144.9 Ų144.982%0.82272%0.715SS**  trans-54.7118.1159.5-74.5-172.8600106.9T271 K275T271-Q273 VanDerWaalsContact C-N 3.26Å; T271-Q273 PolarHBondContact O-N 2.9Å; Q273-K275 PolarHBondContact O-N 3.41Å; Q273-K275 VanDerWaalsContact O-N 3.09Å
274P32.1Very low35.7Very low112 Ų112151.7 Ų151.773%0.72774%0.737SS**  trans-62.7120.6170.1-14.428.4000106.6N272 R276N272-P274 WeakPolarHBondContact O-CD 3.4Å; N272-P274 VanDerWaalsContact O-N 3.14Å; P274-R276 VanDerWaalsContact C-N 3.34Å; P274-R276 PolarHBondContact O-N 3.18Å
275K33.9Very low35.2Very low208 Ų208153.7 Ų153.790%0.90474%0.735SS**  trans-52.1106.1162.5-83.6-179.5177175.70106.3Q273 Q277Q273-K275 PolarHBondContact O-N 3.41Å; Q273-K275 VanDerWaalsContact O-N 3.09Å; K275-Q277 PolarHBondContact O-N 3.26Å
276R35.9Very low34.7Very low238 Ų238156.9 Ų156.990%0.89875%0.748SS**  trans-58.7106.6175.4-82.6-178.9159.9-167-5.6107.6P274P274-R276 VanDerWaalsContact C-N 3.34Å; P274-R276 PolarHBondContact O-N 3.18Å
277Q37.1Very low34.1Very low177 Ų177162.3 Ų162.383%0.82777%0.774SS**  trans-60.1130.2160.1-73.5-176.9-7.200107.5K275 R279K275-Q277 PolarHBondContact O-N 3.26Å; Q277-R279 PolarHBondContact O-N 2.95Å
278P33.3Very low34Very low120 Ų120165.3 Ų165.378%0.77978%0.777SS**  trans-64.6111.9178.524.4-30.1000108.4R280P278-R280 PolarHBondContact O-N 3.14Å
279R34.7Very low33.4Very low244 Ų244171 Ų17192%0.92180%0.8SS**  trans-56.5107.8167.5-85.3-177.5162.6166.9-4.5107.8Q277 R281Q277-R279 PolarHBondContact O-N 2.95Å; R279-R281 PolarHBondContact O-N 3.21Å
280R33.8Very low32.9Very low240 Ų240175.6 Ų175.691%0.90683%0.83SS**PPolyproline II helixtrans-55.9119.8166.8-78.9-177.4170.5-174-2.2107.6P278P278-R280 PolarHBondContact O-N 3.14Å
281R33.3Very low32.6Very low228 Ų228177.3 Ų177.386%0.8684%0.838SS**PPolyproline II helixtrans-60.3139.1168.8-71.9179.9174.3-176.7-1.9108.4R279 R283R279-R281 PolarHBondContact O-N 3.21Å; R281-R283 PolarHBondContact O-N 3.14Å
282P32.3Very low32.2Very low129 Ų129174.5 Ų174.584%0.83884%0.835SS**PPolyproline II helixtrans-61.1124.2167.1-14.327.8000108.4R284P282-R284 PolarHBondContact O-N 2.92Å
283R29.3Very low32.1Very low234 Ų234176.8 Ų176.888%0.88384%0.842SS**PPolyproline II helixtrans-64.3129.1171.3-94.2179165.8167.9-5.7108.3R281 N285R281-R283 PolarHBondContact O-N 3.14Å; R283-N285 PolarHBondContact O-N 2.62Å
284R30.8Very low31.9Very low240 Ų240174.4 Ų174.491%0.90684%0.839SS**  trans-68.1109.2165.5-155.2177.2-170.9-172.60.8106.1P282 T286P282-R284 PolarHBondContact O-N 2.92Å; R284-T286 PolarHBondContact O-N 3Å
285N29.9Very low31.8Very low128 Ų128173.4 Ų173.468%0.68484%0.835SS**  trans-74.8111.1174-112.121.1000108.1R283R283-N285 PolarHBondContact O-N 2.62Å
286T34Very low31.5Very low131 Ų131172 Ų17280%0.80483%0.831SS**  trans-85.2111.7156.1-38.30000105.2R284R284-T286 PolarHBondContact O-N 3Å
287Q34.2Very low31.2Very low167 Ų167168.7 Ų168.778%0.7883%0.826SS**  trans-121.6119164-97.4177-20.800107.7
288Q32.5Very low30.8Very low184 Ų184165.8 Ų165.886%0.8683%0.826SS**  trans-65.9148.5169.8-82.2166.5-46.900110.3
289D29.4Very low30.6Very low156 Ų156171.1 Ų171.183%0.83483%0.83SS**  trans-57.9137.7168.6-52.4-63.8000112.2
290T29.5Very low30.4Very low148 Ų148171.7 Ų171.791%0.90883%0.833SS**  trans-150.8141.7139330000109.7
291E31Very low30.2Very low198 Ų198168.7 Ų168.793%0.92583%0.829SS**  trans-76.9161.5-164.4-60.2167.7142.100114.7
292G26.7Very low30Very low74 Ų74168 Ų16876%0.76383%0.832SS**  trans161.686.5165.200000115
293E28.8Very low29.8Very low181 Ų181172.3 Ų172.385%0.84684%0.837SS**  trans1.5138.8149.1-69.5178.3150.100118.2
294T27.1Very low29.7Very low125 Ų125164.8 Ų164.877%0.76783%0.833SS**  -177.1153.750.47.90000112
295S29.7Very low29.6Very low92 Ų92163.1 Ų163.164%0.64384%0.835SS**  trans84.8115.7141.6-60.60000123.3
296Q29.2Very low29.5Very low177 Ų177161.5 Ų161.583%0.82784%0.84SS**  trans66.4141.5134.2-69.6177.1-26.400118.6
297E27.6Very low29.4Very low169 Ų169163.4 Ų163.479%0.7985%0.845SS**  cis-171.1156.5-6.7179.5171.1-157.200105.9
298S30.4Very low29.2Very low117 Ų117164 Ų16482%0.81885%0.848SS**  trans125.1100.2153.873.50000116.1
299R28.5Very low29.1Very low232 Ų232164.9 Ų164.988%0.87585%0.849SS**  trans-66145.6166.5-70.9169.5166.5170.5-5.5111
300R30Very low29.2Very low256 Ų256163.1 Ų163.197%0.96685%0.846SS**  trans-155.8123.2132-108.1169.8-171.2-160.12.4110.7
301E29.5Very low29.2Very low177 Ų177168.2 Ų168.283%0.82785%0.848SS**  trans-76.5150.4-176.2-60170.4142.900112.2
302K29.9Very low29.2Very low213 Ų213167.3 Ų167.393%0.92684%0.844SS**  trans-157.4125.3133-114.4175.1-176.6-178.80111.6
303K28.7Very low29.4Very low219 Ų219172.7 Ų172.795%0.95285%0.849SS**  trans-63.1151.6179.2-77.2173.5167.2178.30113.5
304G27.2Very low29.6Very low76 Ų76170.3 Ų170.378%0.78485%0.85SS**  trans-174.9110.7156.700000110.3
305E28.1Very low29.7Very low205 Ų205169 Ų16996%0.95885%0.851SS**  trans-54.8145.5-169-74.2158.7123.800116.4
306A28.2Very low29.7Very low94 Ų94176.4 Ų176.478%0.77787%0.865SS**  trans-120.9132.4157.300000107.9
307D30.5Very low29.7Very low172 Ų172173 Ų17392%0.9287%0.867SS**  trans-132.8132.4158.1-144.9-0.5000110.3
308Q30.5Very low29.7Very low178 Ų178176 Ų17683%0.83287%0.871SS**  trans-97.5137.4-165-64175.2800111
309K30.7Very low29.6Very low204 Ų204180.4 Ų180.489%0.88788%0.876SS**  trans-141.9139.3149.9-90.1-173.6-177.8170.90111.9
310P31.9Very low29.6Very low118 Ų118176.3 Ų176.377%0.76687%0.871SS**  trans-85.3134.6-171.433.1-32.9000112.2
311R29.3Very low29.6Very low256 Ų256169.1 Ų169.197%0.96686%0.86SS**  trans-89.8110.7169.1-89.5-178172.3172.6-1.5110.5
312Q31.2Very low29.7Very low178 Ų178172.7 Ų172.783%0.83287%0.866SS**PPolyproline II helixtrans-71143.5168.7-65.6177.71.200111
313Q31.2Very low29.5Very low188 Ų188165.7 Ų165.788%0.87985%0.854SS**PPolyproline II helixtrans-69.4143.5170.1-67.3179.4-4.300110.9
314P32.8Very low29.5Very low131 Ų131161.8 Ų161.885%0.85185%0.854SS**PPolyproline II helixtrans-86.3126.4159.7-4.722.9000110.9
315A28.7Very low29.6Very low97 Ų97161.6 Ų161.680%0.80285%0.852SS**PPolyproline II helixtrans-70.9150.8170.400000112.1A317A315-A317 PolarHBondContact O-N 3.35Å
316R29.4Very low29.6Very low248 Ų248164.2 Ų164.294%0.93685%0.854SS**PPolyproline II helixtrans-55.1122.8170.9-77.6170.3164.5168.9-5.8111.6
317A28.6Very low29.6Very low104 Ų104162.8 Ų162.886%0.8685%0.847SS**PPolyproline II helixtrans-87.6119164.600000110.4A315A315-A317 PolarHBondContact O-N 3.35Å
318R29.2Very low29.5Very low233 Ų233161.9 Ų161.988%0.87984%0.843SS**PPolyproline II helixtrans-71.3136.4164.2-69.2174.9170.4179.2-3.3108.3
319K27.5Very low29.5Very low210 Ų210161.6 Ų161.691%0.91384%0.842SS**  trans-106.898.2170.9-163.8170.9-174.51770108.5
320D27.7Very low29.5Very low145 Ų145160.6 Ų160.678%0.77584%0.84SS**  trans-78.6152.2164.6-81.4-39000110.6
321S31.7Very low29.3Very low105 Ų105158.5 Ų158.573%0.73484%0.84SS**  trans-77.4148.7179.440.80000113.1
322R30.1Very low29.4Very low253 Ų253156.1 Ų156.196%0.95584%0.84SS**  trans153.2129.4157.8-86.4159.9-172.1-165.23.5105.6
323G26.8Very low29.3Very low66 Ų66152.4 Ų152.468%0.6884%0.839SS**  cis119.9123.42400000107.9
324S29.2Very low29.2Very low137 Ų137147.2 Ų147.296%0.95884%0.836SS**  trans74.4137.9174.674.30000117.6
325G27.8Very low29.1Very low72 Ų72150.5 Ų150.574%0.74284%0.837SS**  cis173173.2-3.600000112.1
326R29.1Very low29.1Very low260 Ų260152.8 Ų152.898%0.98184%0.841SS**  trans89.9139.4156.4-68.4-173.6172.1-171.5-2.9122.3
327G27.5Very low29.2Very low63 Ų63145.4 Ų145.465%0.64983%0.833SS**  trans116.375.7165.100000112.2
328D28.7Very low29.1Very low153 Ų153150.6 Ų150.682%0.81884%0.836SS**  69111.887.1-67.1-34.6000113.6
329E30.6Very low29Very low173 Ų173143.4 Ų143.481%0.80883%0.834SS**  173133.2116.8-94.8177.417300112.5
330E31.1Very low29.1Very low183 Ų183145.3 Ų145.386%0.85584%0.836SS**  trans56.6127.6149-56.3-176.6163.800119.4
331G27.6Very low29Very low74 Ų74143.6 Ų143.676%0.76384%0.835SS**  cis129.294.615.700000109.1
332E30.3Very low28.9Very low206 Ų206149.6 Ų149.696%0.96384%0.842SS**  trans-166.3143.7144.3-131.4177.5165.800113
333A30.4Very low28.8Very low100 Ų100149.1 Ų149.183%0.82684%0.84SS**  trans-101.8145.6-16600000112.8
334G29.5Very low28.9Very low79 Ų79153.1 Ų153.181%0.81485%0.851SS**  trans-154.4106.7162.500000110.2
335K29.5Very low28.8Very low200 Ų200150.5 Ų150.587%0.8784%0.837SS**  trans-83.1178.5-178-81.7-179.2175.51730112.2
336V29.3Very low28.8Very low145 Ų145157.9 Ų157.988%0.87984%0.843SS**  trans98.3126.9161.8-170.30000113.2
337A30.1Very low28.6Very low92 Ų92154 Ų15476%0.7684%0.836SS**  cis-159.2155.4-7.500000110.2
338K28.5Very low28.6Very low214 Ų214160.1 Ų160.193%0.9385%0.848SS**  trans-76.5133.3167.7-86.6176172.5169.80110.6
339G25.9Very low28.4Very low82 Ų82156.4 Ų156.485%0.84585%0.845SS**  trans-123.2124.9156.300000109.8
340R29.4Very low28.4Very low249 Ų249154.3 Ų154.394%0.9485%0.847SS**  trans-106.4165.3178.1-114.4-178.2173.4-177.5-2.6109.5
341S26.8Very low28.2Very low110 Ų110155.1 Ų155.177%0.76985%0.85SS**  trans85138.4173.1-95.10000115.3
342R28.2Very low28.4Very low231 Ų231161.3 Ų161.387%0.87286%0.86SS**  cis-163147.925.9-130.4162.8-172174.50.9109.6
343R29.1Very low28.2Very low242 Ų242155 Ų15591%0.91385%0.85SS**  trans-75.1137.9164.7-87.2178168.2-179-3.9110
344V28.1Very low28.5Very low150 Ų150162.8 Ų162.891%0.90986%0.858SS**  trans-142.9146.7147.8-173.40000108.3
345A28.4Very low28.3Very low82 Ų82162.3 Ų162.368%0.67885%0.853SS**  trans-103.4158.4-165.500000114.1
346R26.3Very low28.4Very low227 Ų227162.7 Ų162.786%0.85786%0.858SS**  trans61.8138.9158.3-78-178.2170.6-158.3-2.1115.9
347E25.9Very low28.3Very low180 Ų180159.8 Ų159.884%0.84185%0.849SS**  -163.2173.653.7-134.9155-143.100111.9
348Q26.8Very low28.4Very low191 Ų191161 Ų16189%0.89385%0.847SS**  trans-89138.3-160.1-68171.81.300116
349G24.5Very low28.5Very low74 Ų74156.3 Ų156.376%0.76384%0.841SS**  trans79.7166.7136.200000119.5
350P30Very low29.1Very low129 Ų129159.9 Ų159.984%0.83884%0.836SS**  cis-120.6139.2-28.934.8-19.6000111.4
351E26.8Very low29.4Very low200 Ų200159 Ų15994%0.93583%0.832SS**  trans-119.7120.4167.6-91.2-166.4156.700111.3
352E31.9Very low30.1Very low205 Ų205163.1 Ų163.196%0.95884%0.836SS**  trans-66.6118.5167.5-65.3-178.3142.300109.6
353G26.1Very low30.9Very low74 Ų74156.5 Ų156.576%0.76382%0.818SS**  trans-14095.8176.800000110G355G353-G355 PolarHBondContact O-N 2.93Å
354R38.6Very low32.1Very low263 Ų263147.8 Ų147.899%0.99279%0.793SS**  trans-54.5122.6173.8-79.4174.9166.6-140-1.3111.4
355G24.7Very low33.5Very low68 Ų68150.8 Ų150.870%0.70180%0.797SS**  trans-153.596.9164.700000109G353 A357G353-G355 PolarHBondContact O-N 2.93Å; G355-A357 VanDerWaalsContact C-N 3.33Å; G355-A357 PolarHBondContact O-N 3.41Å
356E31.1Very low35.5Very low209 Ų209150.7 Ų150.798%0.97779%0.791SS**  trans-81.482.9-179.4-122.8175.6172.300110
357A28.2Very low38.3Very low84 Ų84141.2 Ų141.269%0.69476%0.759SS**  trans-77.1121.6168.100000109.9G355G355-A357 VanDerWaalsContact C-N 3.33Å; G355-A357 PolarHBondContact O-N 3.41Å
358T30.2Very low41.4Very low117 Ų117133 Ų13372%0.71872%0.721SS**  trans14.5111.2155.751.60000116.9Q360T358-Q360 PolarHBondContact O-N 3.13Å
359S31.2Very low44.5Very low116 Ų116124.9 Ų124.981%0.81168%0.684SS**  trans-68.574.4164.4-179.20000110.5R361S359-R361 PolarHBondContact O-N 3.01Å
360Q37.9Very low47.9Very low157 Ų157121.4 Ų121.473%0.73465%0.648SS**  trans-53.3117.6135.4-68.9177.2-2.200104.7T358 K362T358-Q360 PolarHBondContact O-N 3.13Å; Q360-K362 PolarHBondContact O-N 3.46Å
361R37.6Very low51Low230 Ų230117.7 Ų117.787%0.86862%0.618SS**  trans-56.199.9159.2-89.9-177.5171.2-177.2-3.4105.2S359 L363S359-R361 PolarHBondContact O-N 3.01Å; R361-L363 PolarHBondContact O-N 3.14Å
362K39.7Very low54.2Low196 Ų196108.2 Ų108.285%0.85257%0.573SS**  trans-51.4111.6172.5-84.8-179.2176.7175.70105Q360Q360-K362 PolarHBondContact O-N 3.46Å
363L45.9Very low57.1Low93 Ų9398.4 Ų98.449%0.48753%0.528SS..  trans-54.1135.9167.2-77155.7000106.1R361 Q365 V367R361-L363 PolarHBondContact O-N 3.14Å; L363-Q365 PolarHBondContact O-N 3.39Å; L363-V367 HydrophobicContact CD2-CG1 4.3Å
364P53.4Low60.1Low59 Ų5996.8 Ų96.838%0.38351%0.51SS..  trans-48.4141.6171.7-23.632000109.3S366P364-S366 PolarHBondContact O-N 2.92Å
365Q58.6Low62.7Low213 Ų21384.3 Ų84.3100%0.99546%0.463SS*.SBendtrans-58.7-12.1-176.4-74.3176.6-19.800113.1L363L363-Q365 PolarHBondContact O-N 3.39Å
366S70.2Confident65.7Low79 Ų7982 Ų8255%0.55244%0.436SS*.  trans-134.2120.6168.556.70000109.9P364P364-S366 PolarHBondContact O-N 2.92Å
367V85.3Confident68.1Low29 Ų2976.3 Ų76.318%0.17643%0.425CS..  trans-106.5145.4165.6-67.80000109L363 D410 Y411 Q442L363-V367 HydrophobicContact CD2-CG1 4.3Å; V367-D410 HydrophobicContact CB-CB 4.35Å; V367-D410 HydrophobicContact CG2-CB 4.45Å; V367-Y411 VanDerWaalsContact CA-O 3.29Å; V367-Y411 WeakPolarHBondContact CA-O 3.48Å; V367-Y411 WeakPolarHBondContact CB-O 3.39Å; V367-Q442 PolarHBondContact O-NE2 3.2Å
368T89.9Confident70.8Confident8 Ų875.4 Ų75.45%0.04942%0.424CS..EExtended strand (participates in β ladder)trans-102.3126.4171.3-63.60000110Y411 P414 A417 L438 Q442T368-Y411 PolarHBondContact N-O 2.96Å; T368-Y411 PolarHBondContact O-N 3.38Å; T368-P414 WeakPolarHBondContact OG1-CG 3.45Å; T368-A417 HydrophobicContact CG2-CB 3.31Å; T368-L438 HydrophobicContact CG2-CD2 3.78Å; T368-Q442 VanDerWaalsContact CA-OE1 3.3Å; T368-Q442 VanDerWaalsContact CG2-OE1 3.32Å; T368-Q442 PolarHBondContact OG1-OE1 2.96Å
369T93.4Very high73.6Confident20 Ų2070.2 Ų70.212%0.12339%0.391CS..EExtended strand (participates in β ladder)trans-104.6122.5-173-54.40000111.2F408 L409 D410 A439T369-F408 HydrophobicContact CG2-CB 3.86Å; T369-F408 HydrophobicContact CG2-CD1 3.95Å; T369-F408 HydrophobicContact CG2-CG 4.41Å; T369-L409 CarbonylContact C-O 3.59Å; T369-L409 WeakPolarHBondContact CA-O 3.47Å; T369-D410 WeakPolarHBondContact CB-OD1 3.46Å; T369-D410 VanDerWaalsContact CG2-OD1 3.29Å; T369-D410 WeakPolarHBondContact CG2-OD1 3.48Å; T369-D410 PolarHBondContact OG1-OD1 3.03Å; T369-A439 HydrophobicContact CG2-CB 3.92Å; T369-A439 WeakPolarHBondContact O-CB 3.19Å; T369-A439 PolarHBondContact O-N 3.49Å
370V94.8Very high76.4Confident0 Ų072.8 Ų72.80%038%0.383CS..EExtended strand (participates in β ladder)trans-92.7126.1166.5179.50000108.9F408 L409 Y411 A417 L421 A436 E437 L438V370-F408 WeakPolarHBondContact O-CA 3.22Å; V370-L409 HydrophobicContact CB-CB 4.29Å; V370-L409 PolarHBondContact N-O 3.27Å; V370-L409 PolarHBondContact O-N 3.17Å; V370-Y411 HydrophobicContact CB-CE2 4.01Å; V370-Y411 HydrophobicContact CG2-CD2 3.99Å; V370-Y411 HydrophobicContact CG2-CE2 3.68Å; V370-A417 HydrophobicContact CG2-CB 4.02Å; V370-L421 HydrophobicContact CG1-CD1 4.2Å; V370-A436 HydrophobicContact CG1-CB 4.44Å; V370-E437 CarbonylContact C-O 3.49Å; V370-L438 HydrophobicContact CG2-CD2 4.22Å
371Y95.5Very high78.9Confident51 Ų5167.6 Ų67.620%0.236%0.362CS..EExtended strand (participates in β ladder)trans-84.8135169.9168-92.2000110.1R406 F408 A436 E437Y371-R406 HydrophobicContact CD2-CB 4.49Å; Y371-R406 HydrophobicContact CE2-CB 3.62Å; Y371-R406 HydrophobicContact CE2-CG 4.29Å; Y371-F408 HydrophobicContact CD2-CD1 4.27Å; Y371-F408 AromaticContact CD2-CE1 3.71Å; Y371-F408 HydrophobicContact CD2-CE1 3.71Å; Y371-F408 AromaticContact CD2-CZ 3.96Å; Y371-F408 HydrophobicContact CD2-CZ 3.96Å; Y371-F408 HydrophobicContact CE2-CZ 4.38Å; Y371-A436 WeakPolarHBondContact O-CA 3.29Å; Y371-E437 WeakPolarHBondContact CA-O 3.45Å; Y371-E437 WeakPolarHBondContact CB-O 3.33Å; Y371-E437 HydrophobicContact CD1-CG 3.56Å; Y371-E437 HydrophobicContact CE1-CG 4.36Å; Y371-E437 HydrophobicContact CG-CG 4.34Å; Y371-E437 PolarHBondContact N-O 2.94Å; Y371-E437 PolarHBondContact O-N 2.94Å
372L94.6Very high81.4Confident1 Ų160 Ų601%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-115.3116.5168.7-73.5-174.3000109.8L384 L388 R406 A407 L409 L424 Q435 A436L372-L384 HydrophobicContact CD1-CD1 3.92Å; L372-L384 HydrophobicContact CD1-CD2 4.15Å; L372-L388 HydrophobicContact CD1-CD2 4.34Å; L372-R406 CarbonylContact O-C 3.44Å; L372-R406 WeakPolarHBondContact O-CA 3.38Å; L372-R406 WeakPolarHBondContact O-CB 3.5Å; L372-A407 HydrophobicContact CB-CB 4.31Å; L372-A407 PolarHBondContact N-O 3.21Å; L372-A407 PolarHBondContact O-N 3.19Å; L372-L409 HydrophobicContact CD1-CD1 3.62Å; L372-L409 HydrophobicContact CD1-CD2 4.25Å; L372-L409 HydrophobicContact CD1-CG 4.11Å; L372-L409 HydrophobicContact CG-CD1 3.9Å; L372-L409 HydrophobicContact CG-CG 4.24Å; L372-L424 HydrophobicContact CD2-CD1 4.27Å; L372-Q435 CarbonylContact C-O 3.5Å; L372-Q435 VanDerWaalsContact CA-O 3.3Å; L372-Q435 WeakPolarHBondContact CA-O 3.28Å; L372-A436 HydrophobicContact CD2-CB 3.53Å
373G91.9Very high83.8Confident0 Ų054.1 Ų54.10%032%0.32CS..EExtended strand (participates in β ladder)trans-108.9173.3173.900000113I375 Q435G373-I375 VanDerWaalsContact C-N 3.32Å; G373-I375 PolarHBondContact O-N 2.93Å; G373-Q435 PolarHBondContact N-O 3.03Å; G373-Q435 PolarHBondContact O-N 3.24Å
374G89.3Confident86Confident39 Ų3949.7 Ų49.740%0.40230%0.297SS..  trans75.918.4177.600000114P376 H405 L434G374-P376 WeakPolarHBondContact O-CD 3.33Å; G374-H405 PolarHBondContact N-O 3.43Å; G374-L434 WeakPolarHBondContact O-CD2 3.3Å
375I92.5Very high87.9Confident1 Ų151.6 Ų51.61%0.00530%0.299CS..  trans-69.4120.6-177.5-60.7-177.1000110.2G373 L379 L384 W400 H405 R406 A407 L434G373-I375 VanDerWaalsContact C-N 3.32Å; G373-I375 PolarHBondContact O-N 2.93Å; I375-L379 HydrophobicContact CG2-CB 4.07Å; I375-L379 HydrophobicContact CG2-CD2 3.85Å; I375-L384 HydrophobicContact CD1-CD2 4.35Å; I375-W400 HydrophobicContact CD1-CE3 4.3Å; I375-W400 HydrophobicContact CD1-CH2 4.36Å; I375-W400 HydrophobicContact CD1-CZ3 3.89Å; I375-W400 HydrophobicContact CG2-CH2 3.37Å; I375-W400 HydrophobicContact CG2-CZ2 3.98Å; I375-W400 HydrophobicContact CG2-CZ3 3.93Å; I375-H405 PolarHBondContact N-O 2.93Å; I375-H405 WeakPolarHBondContact O-CA 3.43Å; I375-H405 VanDerWaalsContact O-CB 3.28Å; I375-H405 WeakPolarHBondContact O-CB 3.29Å; I375-H405 PolarHBondContact O-ND1 3.36Å; I375-R406 VanDerWaalsContact CD1-C 3.41Å; I375-A407 HydrophobicContact CD1-CB 3.63Å; I375-L434 HydrophobicContact CB-CD2 4.37Å; I375-L434 HydrophobicContact CG1-CD2 3.92Å
376P88.5Confident89.4Confident20 Ų2044 Ų4413%0.1327%0.267CS..  trans-61145.2-179.9-24.634.7000112.9G374 G378 L379 H432G374-P376 WeakPolarHBondContact O-CD 3.33Å; P376-G378 PolarHBondContact O-N 3.37Å; P376-L379 HydrophobicContact CB-CB 4.26Å; P376-L379 HydrophobicContact CG-CB 4.43Å; P376-L379 WeakPolarHBondContact O-CB 3.37Å; P376-L379 PolarHBondContact O-N 3.06Å; P376-H432 HydrophobicContact CG-CB 3.43Å; P376-H432 VanDerWaalsContact CG-CB 3.43Å; P376-H432 VanDerWaalsContact CG-CD2 3.4Å; P376-H432 WeakPolarHBondContact CG-CD2 3.35Å; P376-H432 VanDerWaalsContact CG-CG 3.46Å
377A82.7Confident90.4Very high90 Ų9040.4 Ų40.474%0.74424%0.242SC*.THydrogen-bonded Turntrans-54.6-27.6179.600000114.1
378G83.5Confident90.8Very high64 Ų6439.1 Ų39.166%0.6624%0.235SC*.THydrogen-bonded Turntrans-95.3-8.2179.700000115.2P376 R380P376-G378 PolarHBondContact O-N 3.37Å; G378-R380 PolarHBondContact O-N 3.49Å
379L88.7Confident90.9Very high8 Ų845.7 Ų45.74%0.04226%0.258CS..  trans-69.3128.2-177.2-167.381.4000109.8I375 P376 E383 L384 W400 L429I375-L379 HydrophobicContact CG2-CB 4.07Å; I375-L379 HydrophobicContact CG2-CD2 3.85Å; P376-L379 HydrophobicContact CB-CB 4.26Å; P376-L379 HydrophobicContact CG-CB 4.43Å; P376-L379 WeakPolarHBondContact O-CB 3.37Å; P376-L379 PolarHBondContact O-N 3.06Å; L379-E383 HydrophobicContact CD1-CB 4.21Å; L379-E383 WeakPolarHBondContact CD1-OE2 3.43Å; L379-E383 HydrophobicContact CG-CB 4.5Å; L379-L384 HydrophobicContact CD2-CB 4.24Å; L379-W400 HydrophobicContact CB-CH2 4.35Å; L379-W400 HydrophobicContact CD2-CH2 4.14Å; L379-W400 HydrophobicContact CG-CH2 4.43Å; L379-W400 WeakPolarHBondContact O-CH2 3.39Å; L379-W400 WeakPolarHBondContact O-CZ2 3.42Å; L379-L429 HydrophobicContact CD1-CB 3.75Å; L379-L429 HydrophobicContact CD1-CD1 4.02Å; L379-L429 HydrophobicContact CD2-CD1 3.77Å
380R91.1Very high90.8Very high171 Ų17151.9 Ų51.965%0.64529%0.286SS*.  trans-86.6148178.8-64.4179.6172.6-174.9-0.5111G378 S382 E383 L384G378-R380 PolarHBondContact O-N 3.49Å; R380-S382 PolarHBondContact O-N 2.85Å; R380-S382 VanDerWaalsContact O-N 3.13Å; R380-E383 HydrophobicContact CB-CG 4.15Å; R380-E383 PolarHBondContact N-OE2 3.29Å; R380-E383 WeakPolarHBondContact O-CB 3.39Å; R380-E383 PolarHBondContact O-N 3.29Å; R380-L384 PolarHBondContact O-N 3.38Å; R380-L384 VanDerWaalsContact O-N 3.15Å
381V90.7Very high90.5Very high47 Ų4757.5 Ų57.529%0.28531%0.307SS..Hα-helixtrans-55.7-34.3174.6-163.20000111.9E383 K385 L398 W400V381-E383 VanDerWaalsContact C-N 3.35Å; V381-K385 HydrophobicContact CG1-CD 4.43Å; V381-K385 HydrophobicContact CG1-CG 4.49Å; V381-K385 WeakPolarHBondContact O-CB 3.36Å; V381-K385 VanDerWaalsContact O-CG 3.3Å; V381-K385 WeakPolarHBondContact O-CG 3.17Å; V381-K385 PolarHBondContact O-N 3.48Å; V381-L398 HydrophobicContact CG1-CD2 3.99Å; V381-W400 HydrophobicContact CB-CD2 4.18Å; V381-W400 HydrophobicContact CB-CE3 4.31Å; V381-W400 HydrophobicContact CB-CG 4.37Å; V381-W400 HydrophobicContact CG1-CB 4.09Å; V381-W400 HydrophobicContact CG1-CD2 4.14Å; V381-W400 HydrophobicContact CG1-CE3 4.09Å; V381-W400 HydrophobicContact CG1-CG 4.15Å; V381-W400 HydrophobicContact CG2-CB 4.12Å; V381-W400 HydrophobicContact CG2-CD2 3.48Å; V381-W400 VanDerWaalsContact CG2-CD2 3.48Å; V381-W400 HydrophobicContact CG2-CE3 4.1Å; V381-W400 HydrophobicContact CG2-CG 3.45Å; V381-W400 VanDerWaalsContact CG2-CG 3.45Å; V381-W400 HydrophobicContact CG2-CZ2 4.22Å
382S88.8Confident90.3Very high71 Ų7160.6 Ų60.650%0.49734%0.336SS..Hα-helixtrans-65.8-35.617752.50000113.1R380 T386R380-S382 PolarHBondContact O-N 2.85Å; R380-S382 VanDerWaalsContact O-N 3.13Å; S382-T386 WeakPolarHBondContact O-CB 3.23Å; S382-T386 PolarHBondContact O-N 2.93Å; S382-T386 PolarHBondContact O-OG1 3.27Å
383E89.7Confident90.2Very high72 Ų7260.6 Ų60.634%0.33634%0.336SS..Hα-helixtrans-69.5-47.3177.2-67.7161.1-170.100109.4L379 R380 V381 K385 T386 A387L379-E383 HydrophobicContact CD1-CB 4.21Å; L379-E383 WeakPolarHBondContact CD1-OE2 3.43Å; L379-E383 HydrophobicContact CG-CB 4.5Å; R380-E383 HydrophobicContact CB-CG 4.15Å; R380-E383 PolarHBondContact N-OE2 3.29Å; R380-E383 WeakPolarHBondContact O-CB 3.39Å; R380-E383 PolarHBondContact O-N 3.29Å; V381-E383 VanDerWaalsContact C-N 3.35Å; E383-K385 PolarHBondContact O-N 3.31Å; E383-T386 PolarHBondContact O-N 3.25Å; E383-T386 VanDerWaalsContact O-N 3.1Å; E383-A387 PolarHBondContact O-N 3.5Å
384L92.4Very high90.2Very high0 Ų063.5 Ų63.50%036%0.36CS..Hα-helixtrans-58.2-47.4173.5-179.764.1000111.4L372 I375 L379 R380 T386 A387 L388 L398 W400 A407 L429 L434L372-L384 HydrophobicContact CD1-CD1 3.92Å; L372-L384 HydrophobicContact CD1-CD2 4.15Å; I375-L384 HydrophobicContact CD1-CD2 4.35Å; L379-L384 HydrophobicContact CD2-CB 4.24Å; R380-L384 PolarHBondContact O-N 3.38Å; R380-L384 VanDerWaalsContact O-N 3.15Å; L384-T386 PolarHBondContact O-N 3.42Å; L384-A387 PolarHBondContact O-N 3.31Å; L384-L388 HydrophobicContact CD1-CD1 4.44Å; L384-L388 HydrophobicContact CD1-CD2 4.43Å; L384-L388 HydrophobicContact CD1-CG 4.17Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 HydrophobicContact CG-CG 4.22Å; L384-L388 VanDerWaalsContact O-CG 3.26Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.42Å; L384-L398 HydrophobicContact CD2-CD1 4.15Å; L384-W400 HydrophobicContact CB-CZ3 3.87Å; L384-W400 HydrophobicContact CD2-CE3 3.78Å; L384-W400 HydrophobicContact CD2-CZ3 3.49Å; L384-W400 VanDerWaalsContact CD2-CZ3 3.49Å; L384-W400 HydrophobicContact CG-CZ3 4.29Å; L384-A407 HydrophobicContact CD2-CB 4.1Å; L384-L429 HydrophobicContact CD1-CD1 4.19Å; L384-L434 HydrophobicContact CD1-CD1 4.02Å
385K93Very high90.5Very high100 Ų10063 Ų6344%0.43535%0.35SS..Hα-helixtrans-59.8-30.2178-79.2-178.3177.5-172.20113.3V381 E383 R389 L398V381-K385 HydrophobicContact CG1-CD 4.43Å; V381-K385 HydrophobicContact CG1-CG 4.49Å; V381-K385 WeakPolarHBondContact O-CB 3.36Å; V381-K385 VanDerWaalsContact O-CG 3.3Å; V381-K385 WeakPolarHBondContact O-CG 3.17Å; V381-K385 PolarHBondContact O-N 3.48Å; E383-K385 PolarHBondContact O-N 3.31Å; K385-R389 WeakPolarHBondContact O-CG 3.45Å; K385-R389 VanDerWaalsContact O-CZ 3.32Å; K385-R389 PolarHBondContact O-N 2.74Å; K385-R389 PolarHBondContact O-NH1 3.01Å; K385-R389 VanDerWaalsContact O-NH1 3.09Å; K385-L398 HydrophobicContact CG-CD1 4Å
386T90.6Very high90.3Very high53 Ų5368 Ų6833%0.32538%0.376SS..Hα-helixtrans-74.4-48.7177.9-570000109.9S382 E383 L384 L388 R389 E390S382-T386 WeakPolarHBondContact O-CB 3.23Å; S382-T386 PolarHBondContact O-N 2.93Å; S382-T386 PolarHBondContact O-OG1 3.27Å; E383-T386 PolarHBondContact O-N 3.25Å; E383-T386 VanDerWaalsContact O-N 3.1Å; L384-T386 PolarHBondContact O-N 3.42Å; T386-L388 VanDerWaalsContact C-N 3.31Å; T386-L388 PolarHBondContact O-N 3.27Å; T386-R389 PolarHBondContact O-N 3.01Å; T386-R389 PolarHBondContact OG1-NH2 3.1Å; T386-E390 WeakPolarHBondContact CG2-OE1 2.82Å; T386-E390 WeakPolarHBondContact O-CG 3.35Å; T386-E390 PolarHBondContact O-N 3.46Å
387A90.9Very high90.4Very high4 Ų472.8 Ų72.83%0.03339%0.392CS..Hα-helixtrans-57.6-40.7174.600000113E383 L384 R389 E390 R391 L427 L429E383-A387 PolarHBondContact O-N 3.5Å; L384-A387 PolarHBondContact O-N 3.31Å; A387-R389 VanDerWaalsContact C-N 3.3Å; A387-R389 PolarHBondContact O-N 3.04Å; A387-E390 PolarHBondContact O-N 2.68Å; A387-R391 WeakPolarHBondContact O-CB 3.45Å; A387-R391 VanDerWaalsContact O-CG 3.3Å; A387-R391 WeakPolarHBondContact O-CG 3.26Å; A387-R391 PolarHBondContact O-N 2.79Å; A387-L427 HydrophobicContact CB-CD1 4.43Å; A387-L429 HydrophobicContact CB-CD1 4.02Å; A387-L429 HydrophobicContact CB-CD2 3.73Å; A387-L429 HydrophobicContact CB-CG 4.46Å
388L93.5Very high91Very high2 Ų270.2 Ų70.21%0.0137%0.365CS..Hα-helixtrans-63.4-34.3175.9-68.4177.4000112.6L372 L384 T386 S392 A393 A394 L398 L409 L424L372-L388 HydrophobicContact CD1-CD2 4.34Å; L384-L388 HydrophobicContact CD1-CD1 4.44Å; L384-L388 HydrophobicContact CD1-CD2 4.43Å; L384-L388 HydrophobicContact CD1-CG 4.17Å; L384-L388 HydrophobicContact CG-CD1 4.04Å; L384-L388 HydrophobicContact CG-CG 4.22Å; L384-L388 VanDerWaalsContact O-CG 3.26Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.42Å; T386-L388 VanDerWaalsContact C-N 3.31Å; T386-L388 PolarHBondContact O-N 3.27Å; L388-S392 PolarHBondContact O-N 2.75Å; L388-A393 HydrophobicContact CD2-CB 4.43Å; L388-A393 CarbonylContact O-C 3.57Å; L388-A393 WeakPolarHBondContact O-CA 3.19Å; L388-A393 PolarHBondContact O-N 3.17Å; L388-A394 PolarHBondContact O-N 3.02Å; L388-L398 HydrophobicContact CD1-CD1 3.51Å; L388-L409 HydrophobicContact CD1-CD1 4.19Å; L388-L409 HydrophobicContact CD1-CD2 3.82Å; L388-L409 HydrophobicContact CD2-CD1 3.84Å; L388-L424 HydrophobicContact CD2-CD1 3.92Å; L388-L424 HydrophobicContact CD2-CD2 3.48Å; L388-L424 VanDerWaalsContact CD2-CD2 3.48Å; L388-L424 HydrophobicContact CD2-CG 4.35Å
389R93Very high91.5Very high145 Ų14569.8 Ų69.855%0.54735%0.35SS..Hα-helixtrans-74.1-41.7175.9-76-170.3-59.8-82.2-4.1112K385 T386 A387 R391 S392 A394K385-R389 WeakPolarHBondContact O-CG 3.45Å; K385-R389 VanDerWaalsContact O-CZ 3.32Å; K385-R389 PolarHBondContact O-N 2.74Å; K385-R389 PolarHBondContact O-NH1 3.01Å; K385-R389 VanDerWaalsContact O-NH1 3.09Å; T386-R389 PolarHBondContact O-N 3.01Å; T386-R389 PolarHBondContact OG1-NH2 3.1Å; A387-R389 VanDerWaalsContact C-N 3.3Å; A387-R389 PolarHBondContact O-N 3.04Å; R389-R391 PolarHBondContact O-N 3Å; R389-S392 PolarHBondContact O-N 3.07Å; R389-A394 HydrophobicContact CG-CB 4.38Å
390E90.2Very high91.7Very high150 Ų15072.7 Ų72.770%0.70136%0.36SS*.Hα-helixtrans-63.1-30.9177.7-70.8169.417900112.4T386 A387 S392T386-E390 WeakPolarHBondContact CG2-OE1 2.82Å; T386-E390 WeakPolarHBondContact O-CG 3.35Å; T386-E390 PolarHBondContact O-N 3.46Å; A387-E390 PolarHBondContact O-N 2.68Å; E390-S392 VanDerWaalsContact C-N 3.33Å
391R89.5Confident91.7Very high119 Ų11967.4 Ų67.445%0.44934%0.343SS..THydrogen-bonded Turntrans-89.68.3175.3-64.2-75.5-175.9156.6-4.1113.5A387 R389 A393 A423 L424 L427A387-R391 WeakPolarHBondContact O-CB 3.45Å; A387-R391 VanDerWaalsContact O-CG 3.3Å; A387-R391 WeakPolarHBondContact O-CG 3.26Å; A387-R391 PolarHBondContact O-N 2.79Å; R389-R391 PolarHBondContact O-N 3Å; R391-A393 HydrophobicContact CB-CB 4.38Å; R391-A393 PolarHBondContact O-N 3.32Å; R391-A393 VanDerWaalsContact O-N 3.1Å; R391-A423 WeakPolarHBondContact CD-O 3.21Å; R391-A423 WeakPolarHBondContact O-CB 3.42Å; R391-L424 HydrophobicContact CB-CD2 4.43Å; R391-L427 HydrophobicContact CG-CD1 4.49Å
392S90.4Very high91.4Very high116 Ų11665.8 Ų65.881%0.81134%0.336SS*.THydrogen-bonded Turntrans53.529.4-175.8-59.30000114.4L388 R389 E390L388-S392 PolarHBondContact O-N 2.75Å; R389-S392 PolarHBondContact O-N 3.07Å; E390-S392 VanDerWaalsContact C-N 3.33Å
393A92.8Very high91.2Very high1 Ų167.2 Ų67.21%0.00835%0.352CS..  trans-113.830.3-174.500000112.5L388 R391 P395 Y411 A420 A423 L424L388-A393 HydrophobicContact CD2-CB 4.43Å; L388-A393 CarbonylContact O-C 3.57Å; L388-A393 WeakPolarHBondContact O-CA 3.19Å; L388-A393 PolarHBondContact O-N 3.17Å; R391-A393 HydrophobicContact CB-CB 4.38Å; R391-A393 PolarHBondContact O-N 3.32Å; R391-A393 VanDerWaalsContact O-N 3.1Å; A393-P395 WeakPolarHBondContact O-CD 3.33Å; A393-Y411 PolarHBondContact O-OH 2.99Å; A393-A420 HydrophobicContact CB-CB 4.04Å; A393-A423 HydrophobicContact CB-CB 4.4Å; A393-L424 HydrophobicContact CB-CD1 4.05Å; A393-L424 HydrophobicContact CB-CD2 3.92Å; A393-L424 HydrophobicContact CB-CG 3.89Å
394A93.2Very high91.1Very high60 Ų6068.9 Ų68.950%0.49636%0.36SS..  trans-70.4122.6-177.400000111.6L388 R389L388-A394 PolarHBondContact O-N 3.02Å; R389-A394 HydrophobicContact CG-CB 4.38Å
395P94.6Very high91.1Very high29 Ų2973 Ų7319%0.18838%0.379CS..  trans-82.9164.9-179.135-38.8000113.1A393 R397 L398 L409 D410 Y411A393-P395 WeakPolarHBondContact O-CD 3.33Å; P395-R397 VanDerWaalsContact C-N 3.3Å; P395-R397 WeakPolarHBondContact CB-O 3.44Å; P395-L398 HydrophobicContact CG-CB 3.96Å; P395-L409 HydrophobicContact CB-CB 3.88Å; P395-L409 HydrophobicContact CG-CB 4.12Å; P395-L409 HydrophobicContact CG-CD2 3.98Å; P395-D410 WeakPolarHBondContact CB-O 3.44Å; P395-Y411 HydrophobicContact CB-CD1 4.38Å; P395-Y411 HydrophobicContact CB-CE1 3.93Å; P395-Y411 HydrophobicContact CB-CE2 4.38Å
396L89.5Confident91.2Very high107 Ų10772.1 Ų72.156%0.5637%0.373SS*.SBendtrans-64.1-38.9167.3-65.2175.4000111.2D410L396-D410 WeakPolarHBondContact CB-O 3.45Å; L396-D410 PolarHBondContact N-O 3.2Å
397R90.1Very high91.4Very high119 Ų11969.6 Ų69.645%0.44936%0.357SS..EExtended strand (participates in β ladder)trans-140.5133178.4-174.1173.966-175.20.1110.1P395 D410P395-R397 VanDerWaalsContact C-N 3.3Å; P395-R397 WeakPolarHBondContact CB-O 3.44Å; R397-D410 HydrophobicContact CB-CB 4.15Å; R397-D410 IonicContact CZ-OD2 2.78Å; R397-D410 PolarHBondContact N-O 3.35Å; R397-D410 IonicContact NE-OD2 2.7Å; R397-D410 PolarHBondContact NE-OD2 3.03Å; R397-D410 IonicContact NH2-OD2 2.85Å; R397-D410 PolarHBondContact NH2-OD2 2.89Å; R397-D410 PolarHBondContact O-N 2.98Å
398L95.3Very high91.6Very high37 Ų3771.6 Ų71.619%0.19437%0.365CS..EExtended strand (participates in β ladder)trans-115115.2172.9-175.7158.6000108.7V381 L384 K385 L388 P395 W400 F408 L409V381-L398 HydrophobicContact CG1-CD2 3.99Å; L384-L398 HydrophobicContact CD2-CD1 4.15Å; K385-L398 HydrophobicContact CG-CD1 4Å; L388-L398 HydrophobicContact CD1-CD1 3.51Å; P395-L398 HydrophobicContact CG-CB 3.96Å; L398-W400 HydrophobicContact CD2-CB 3.83Å; L398-F408 WeakPolarHBondContact CA-O 3.43Å; L398-L409 HydrophobicContact CB-CD2 4.28Å; L398-L409 HydrophobicContact CD1-CD2 3.77Å; L398-L409 HydrophobicContact CG-CD2 3.7Å
399T93.8Very high91.7Very high55 Ų5571.5 Ų71.534%0.33737%0.365SS..EExtended strand (participates in β ladder)trans-98.1111.1172.5-55.90000108.9A407 F408T399-A407 CarbonylContact O-C 3.5Å; T399-A407 VanDerWaalsContact O-CA 3.25Å; T399-A407 WeakPolarHBondContact O-CA 3.4Å; T399-F408 PolarHBondContact N-O 3.02Å; T399-F408 PolarHBondContact O-N 3.42Å
400W93.1Very high91.8Very high69 Ų6964.8 Ų64.826%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-95.6128-177.2176-94.4000111.7I375 L379 V381 L384 L398 G402 A407I375-W400 HydrophobicContact CD1-CE3 4.3Å; I375-W400 HydrophobicContact CD1-CH2 4.36Å; I375-W400 HydrophobicContact CD1-CZ3 3.89Å; I375-W400 HydrophobicContact CG2-CH2 3.37Å; I375-W400 HydrophobicContact CG2-CZ2 3.98Å; I375-W400 HydrophobicContact CG2-CZ3 3.93Å; L379-W400 HydrophobicContact CB-CH2 4.35Å; L379-W400 HydrophobicContact CD2-CH2 4.14Å; L379-W400 HydrophobicContact CG-CH2 4.43Å; L379-W400 WeakPolarHBondContact O-CH2 3.39Å; L379-W400 WeakPolarHBondContact O-CZ2 3.42Å; V381-W400 HydrophobicContact CB-CD2 4.18Å; V381-W400 HydrophobicContact CB-CE3 4.31Å; V381-W400 HydrophobicContact CB-CG 4.37Å; V381-W400 HydrophobicContact CG1-CB 4.09Å; V381-W400 HydrophobicContact CG1-CD2 4.14Å; V381-W400 HydrophobicContact CG1-CE3 4.09Å; V381-W400 HydrophobicContact CG1-CG 4.15Å; V381-W400 HydrophobicContact CG2-CB 4.12Å; V381-W400 HydrophobicContact CG2-CD2 3.48Å; V381-W400 VanDerWaalsContact CG2-CD2 3.48Å; V381-W400 HydrophobicContact CG2-CE3 4.1Å; V381-W400 HydrophobicContact CG2-CG 3.45Å; V381-W400 VanDerWaalsContact CG2-CG 3.45Å; V381-W400 HydrophobicContact CG2-CZ2 4.22Å; L384-W400 HydrophobicContact CB-CZ3 3.87Å; L384-W400 HydrophobicContact CD2-CE3 3.78Å; L384-W400 HydrophobicContact CD2-CZ3 3.49Å; L384-W400 VanDerWaalsContact CD2-CZ3 3.49Å; L384-W400 HydrophobicContact CG-CZ3 4.29Å; L398-W400 HydrophobicContact CD2-CB 3.83Å; W400-G402 VanDerWaalsContact NE1-CA 3.33Å; W400-G402 VanDerWaalsContact NE1-N 3.14Å; W400-A407 HydrophobicContact CE3-CB 4.29Å
401Q91.4Very high91.9Very high59 Ų5957.9 Ų57.928%0.27631%0.307SS..EExtended strand (participates in β ladder)trans-130.561175.3-62.6-178.5-16.700110.1A403 Q404 H405 R406Q401-A403 VanDerWaalsContact C-N 3.28Å; Q401-A403 PolarHBondContact O-N 3.41Å; Q401-Q404 HydrophobicContact CB-CB 4.27Å; Q401-Q404 CarbonylContact O-C 3.42Å; Q401-Q404 WeakPolarHBondContact O-CA 3.5Å; Q401-Q404 PolarHBondContact O-N 3.24Å; Q401-H405 PolarHBondContact O-N 3.1Å; Q401-R406 CarbonylContact C-O 3.53Å; Q401-R406 VanDerWaalsContact CA-O 3.29Å; Q401-R406 WeakPolarHBondContact CA-O 3.33Å; Q401-R406 HydrophobicContact CB-CG 3.94Å; Q401-R406 WeakPolarHBondContact CB-O 3.25Å; Q401-R406 PolarHBondContact N-O 3.37Å; Q401-R406 PolarHBondContact O-N 2.84Å; Q401-R406 VanDerWaalsContact OE1-CZ 3.26Å; Q401-R406 VanDerWaalsContact OE1-NH2 3.1Å
402G84.3Confident91.7Very high14 Ų1454.3 Ų54.314%0.14430%0.301CS..G310 helixtrans-59.8-30.7-175.800000115W400 Q404 H405W400-G402 VanDerWaalsContact NE1-CA 3.33Å; W400-G402 VanDerWaalsContact NE1-N 3.14Å; G402-Q404 PolarHBondContact O-N 2.79Å; G402-H405 PolarHBondContact O-N 3.07Å; G402-H405 VanDerWaalsContact O-N 3.1Å
403A83.1Confident91.5Very high100 Ų10051.1 Ų51.183%0.82628%0.275SS*.G310 helixtrans-66.2-19.1172.900000113.3Q401Q401-A403 VanDerWaalsContact C-N 3.28Å; Q401-A403 PolarHBondContact O-N 3.41Å
404Q88.7Confident91.3Very high107 Ų10754.5 Ų54.550%0.530%0.296SS..G310 helixtrans-108.511.6176.5-64.7174.5-14.900111.5Q401 G402 R406Q401-Q404 HydrophobicContact CB-CB 4.27Å; Q401-Q404 CarbonylContact O-C 3.42Å; Q401-Q404 WeakPolarHBondContact O-CA 3.5Å; Q401-Q404 PolarHBondContact O-N 3.24Å; G402-Q404 PolarHBondContact O-N 2.79Å; Q404-R406 HydrophobicContact CB-CG 4.01Å; Q404-R406 PolarHBondContact O-N 3.13Å; Q404-R406 VanDerWaalsContact O-N 3.15Å; Q404-R406 VanDerWaalsContact OE1-CZ 3.29Å
405H92.3Very high91Very high86 Ų8658.6 Ų58.640%0.39831%0.305SS..THydrogen-bonded Turntrans54.732.6178.5-55.9-65.4000114.2G374 I375 Q401 G402G374-H405 PolarHBondContact N-O 3.43Å; I375-H405 PolarHBondContact N-O 2.93Å; I375-H405 WeakPolarHBondContact O-CA 3.43Å; I375-H405 VanDerWaalsContact O-CB 3.28Å; I375-H405 WeakPolarHBondContact O-CB 3.29Å; I375-H405 PolarHBondContact O-ND1 3.36Å; Q401-H405 PolarHBondContact O-N 3.1Å; G402-H405 PolarHBondContact O-N 3.07Å; G402-H405 VanDerWaalsContact O-N 3.1Å
406R94.5Very high90.8Very high82 Ų8259.7 Ų59.731%0.30931%0.311SS..EExtended strand (participates in β ladder)trans-144160.3-177.568.5-176.7178.3175.66.9114.7Y371 L372 I375 Q401 Q404 F408Y371-R406 HydrophobicContact CD2-CB 4.49Å; Y371-R406 HydrophobicContact CE2-CB 3.62Å; Y371-R406 HydrophobicContact CE2-CG 4.29Å; L372-R406 CarbonylContact O-C 3.44Å; L372-R406 WeakPolarHBondContact O-CA 3.38Å; L372-R406 WeakPolarHBondContact O-CB 3.5Å; I375-R406 VanDerWaalsContact CD1-C 3.41Å; Q401-R406 CarbonylContact C-O 3.53Å; Q401-R406 VanDerWaalsContact CA-O 3.29Å; Q401-R406 WeakPolarHBondContact CA-O 3.33Å; Q401-R406 HydrophobicContact CB-CG 3.94Å; Q401-R406 WeakPolarHBondContact CB-O 3.25Å; Q401-R406 PolarHBondContact N-O 3.37Å; Q401-R406 PolarHBondContact O-N 2.84Å; Q401-R406 VanDerWaalsContact OE1-CZ 3.26Å; Q401-R406 VanDerWaalsContact OE1-NH2 3.1Å; Q404-R406 HydrophobicContact CB-CG 4.01Å; Q404-R406 PolarHBondContact O-N 3.13Å; Q404-R406 VanDerWaalsContact O-N 3.15Å; Q404-R406 VanDerWaalsContact OE1-CZ 3.29Å; R406-F408 HydrophobicContact CG-CE2 4.28Å
407A95.1Very high90.8Very high0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-143.3160.2171.200000110.8L372 I375 L384 T399 W400L372-A407 HydrophobicContact CB-CB 4.31Å; L372-A407 PolarHBondContact N-O 3.21Å; L372-A407 PolarHBondContact O-N 3.19Å; I375-A407 HydrophobicContact CD1-CB 3.63Å; L384-A407 HydrophobicContact CD2-CB 4.1Å; T399-A407 CarbonylContact O-C 3.5Å; T399-A407 VanDerWaalsContact O-CA 3.25Å; T399-A407 WeakPolarHBondContact O-CA 3.4Å; W400-A407 HydrophobicContact CE3-CB 4.29Å
408F95.9Very high90.9Very high46 Ų4652.3 Ų52.320%0.20228%0.281CS..EExtended strand (participates in β ladder)trans-125.7131175.7-59.4-93.8000109.2T369 V370 Y371 L398 T399 R406T369-F408 HydrophobicContact CG2-CB 3.86Å; T369-F408 HydrophobicContact CG2-CD1 3.95Å; T369-F408 HydrophobicContact CG2-CG 4.41Å; V370-F408 WeakPolarHBondContact O-CA 3.22Å; Y371-F408 HydrophobicContact CD2-CD1 4.27Å; Y371-F408 AromaticContact CD2-CE1 3.71Å; Y371-F408 HydrophobicContact CD2-CE1 3.71Å; Y371-F408 AromaticContact CD2-CZ 3.96Å; Y371-F408 HydrophobicContact CD2-CZ 3.96Å; Y371-F408 HydrophobicContact CE2-CZ 4.38Å; L398-F408 WeakPolarHBondContact CA-O 3.43Å; T399-F408 PolarHBondContact N-O 3.02Å; T399-F408 PolarHBondContact O-N 3.42Å; R406-F408 HydrophobicContact CG-CE2 4.28Å
409L95.9Very high90.7Very high0 Ų056.5 Ų56.50%030%0.3CS..EExtended strand (participates in β ladder)trans-116.5112.9-176.3-49.2-176000108.1T369 V370 L372 L388 P395 L398 Y411 L424T369-L409 CarbonylContact C-O 3.59Å; T369-L409 WeakPolarHBondContact CA-O 3.47Å; V370-L409 HydrophobicContact CB-CB 4.29Å; V370-L409 PolarHBondContact N-O 3.27Å; V370-L409 PolarHBondContact O-N 3.17Å; L372-L409 HydrophobicContact CD1-CD1 3.62Å; L372-L409 HydrophobicContact CD1-CD2 4.25Å; L372-L409 HydrophobicContact CD1-CG 4.11Å; L372-L409 HydrophobicContact CG-CD1 3.9Å; L372-L409 HydrophobicContact CG-CG 4.24Å; L388-L409 HydrophobicContact CD1-CD1 4.19Å; L388-L409 HydrophobicContact CD1-CD2 3.82Å; L388-L409 HydrophobicContact CD2-CD1 3.84Å; P395-L409 HydrophobicContact CB-CB 3.88Å; P395-L409 HydrophobicContact CG-CB 4.12Å; P395-L409 HydrophobicContact CG-CD2 3.98Å; L398-L409 HydrophobicContact CB-CD2 4.28Å; L398-L409 HydrophobicContact CD1-CD2 3.77Å; L398-L409 HydrophobicContact CG-CD2 3.7Å; L409-Y411 HydrophobicContact CB-CE2 3.62Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.49Å; L409-L424 HydrophobicContact CD1-CD1 3.82Å
410D94.4Very high90.6Very high5 Ų554.1 Ų54.13%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-96.8128.3-179.9-58.6-41.7000110.8V367 T369 P395 L396 R397V367-D410 HydrophobicContact CB-CB 4.35Å; V367-D410 HydrophobicContact CG2-CB 4.45Å; T369-D410 WeakPolarHBondContact CB-OD1 3.46Å; T369-D410 VanDerWaalsContact CG2-OD1 3.29Å; T369-D410 WeakPolarHBondContact CG2-OD1 3.48Å; T369-D410 PolarHBondContact OG1-OD1 3.03Å; P395-D410 WeakPolarHBondContact CB-O 3.44Å; L396-D410 WeakPolarHBondContact CB-O 3.45Å; L396-D410 PolarHBondContact N-O 3.2Å; R397-D410 HydrophobicContact CB-CB 4.15Å; R397-D410 IonicContact CZ-OD2 2.78Å; R397-D410 PolarHBondContact N-O 3.35Å; R397-D410 IonicContact NE-OD2 2.7Å; R397-D410 PolarHBondContact NE-OD2 3.03Å; R397-D410 IonicContact NH2-OD2 2.85Å; R397-D410 PolarHBondContact NH2-OD2 2.89Å; R397-D410 PolarHBondContact O-N 2.98Å
411Y92.9Very high90.6Very high5 Ų552.3 Ų52.32%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-115.3159.6178-60.6-84.8000111.1V367 T368 V370 A393 P395 L409 D413 V416 A417 A420V367-Y411 VanDerWaalsContact CA-O 3.29Å; V367-Y411 WeakPolarHBondContact CA-O 3.48Å; V367-Y411 WeakPolarHBondContact CB-O 3.39Å; T368-Y411 PolarHBondContact N-O 2.96Å; T368-Y411 PolarHBondContact O-N 3.38Å; V370-Y411 HydrophobicContact CB-CE2 4.01Å; V370-Y411 HydrophobicContact CG2-CD2 3.99Å; V370-Y411 HydrophobicContact CG2-CE2 3.68Å; A393-Y411 PolarHBondContact O-OH 2.99Å; P395-Y411 HydrophobicContact CB-CD1 4.38Å; P395-Y411 HydrophobicContact CB-CE1 3.93Å; P395-Y411 HydrophobicContact CB-CE2 4.38Å; L409-Y411 HydrophobicContact CB-CE2 3.62Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.49Å; Y411-D413 PolarHBondContact O-N 3.45Å; Y411-V416 HydrophobicContact CD1-CG1 3.65Å; Y411-V416 HydrophobicContact CE1-CG1 4.47Å; Y411-V416 HydrophobicContact CG-CG1 4.2Å; Y411-A417 HydrophobicContact CD2-CB 3.9Å; Y411-A417 HydrophobicContact CG-CB 4.26Å; Y411-A420 HydrophobicContact CD1-CB 4.45Å; Y411-A420 HydrophobicContact CE1-CB 3.7Å; Y411-A420 HydrophobicContact CE2-CB 3.84Å; Y411-A420 WeakPolarHBondContact OH-CB 3.4Å
412S85.6Confident90.6Very high44 Ų4455.9 Ų55.931%0.30830%0.298SS..SBendtrans-62-30.8-176.742.50000113.6
413D85Confident90.9Very high49 Ų4956.7 Ų56.726%0.26230%0.303SS..SBendtrans-159.9167-17260.978.2000111Y411 Q415 V416 A417Y411-D413 PolarHBondContact O-N 3.45Å; D413-Q415 PolarHBondContact O-N 3.45Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.3Å; D413-Q415 PolarHBondContact OD1-N 3.16Å; D413-V416 WeakPolarHBondContact OD1-CG2 3.45Å; D413-V416 PolarHBondContact OD1-N 2.84Å; D413-V416 VanDerWaalsContact OD2-CG2 3.31Å; D413-V416 WeakPolarHBondContact OD2-CG2 3.32Å; D413-A417 PolarHBondContact O-N 3.14Å
414P87.9Confident91.3Very high71 Ų7152 Ų5246%0.46126%0.264SS..Hα-helixtrans-63.7-33.4-179.6-23.833.5000115.1T368 A417 D418T368-P414 WeakPolarHBondContact OG1-CG 3.45Å; P414-A417 PolarHBondContact O-N 3.17Å; P414-D418 PolarHBondContact O-N 3.4Å
415Q88.8Confident91.3Very high146 Ų14653.2 Ų53.268%0.68227%0.27SS*.Hα-helixtrans-68.6-42.5-176.7-68.4180-17.200111D413 A417 D418 Q419D413-Q415 PolarHBondContact O-N 3.45Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.3Å; D413-Q415 PolarHBondContact OD1-N 3.16Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; Q415-D418 PolarHBondContact O-N 3.24Å; Q415-Q419 WeakPolarHBondContact O-CG 3.42Å; Q415-Q419 PolarHBondContact O-N 2.67Å
416V90.1Very high90.9Very high52 Ų5252.3 Ų52.332%0.31528%0.283SS..Hα-helixtrans-66.2-36.6175.1178.60000111Y411 D413 A420Y411-V416 HydrophobicContact CD1-CG1 3.65Å; Y411-V416 HydrophobicContact CE1-CG1 4.47Å; Y411-V416 HydrophobicContact CG-CG1 4.2Å; D413-V416 WeakPolarHBondContact OD1-CG2 3.45Å; D413-V416 PolarHBondContact OD1-N 2.84Å; D413-V416 VanDerWaalsContact OD2-CG2 3.31Å; D413-V416 WeakPolarHBondContact OD2-CG2 3.32Å; V416-A420 WeakPolarHBondContact O-CB 3.44Å; V416-A420 PolarHBondContact O-N 2.63Å
417A89.9Confident90.7Very high0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-66.6-38.8175.300000112.7T368 V370 Y411 D413 P414 Q415 A420 L421 L438T368-A417 HydrophobicContact CG2-CB 3.31Å; V370-A417 HydrophobicContact CG2-CB 4.02Å; Y411-A417 HydrophobicContact CD2-CB 3.9Å; Y411-A417 HydrophobicContact CG-CB 4.26Å; D413-A417 PolarHBondContact O-N 3.14Å; P414-A417 PolarHBondContact O-N 3.17Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; A417-A420 PolarHBondContact O-N 3.34Å; A417-L421 WeakPolarHBondContact O-CB 3.04Å; A417-L421 PolarHBondContact O-N 2.9Å; A417-L438 HydrophobicContact CB-CD2 4.36Å
418D90.4Very high90.3Very high72 Ų7251.8 Ų51.839%0.38529%0.292SS..Hα-helixtrans-68-42.8176.5-74.4-24.8000111.4P414 Q415 A420 L421 E422P414-D418 PolarHBondContact O-N 3.4Å; Q415-D418 PolarHBondContact O-N 3.24Å; D418-A420 VanDerWaalsContact C-N 3.33Å; D418-A420 PolarHBondContact O-N 3.09Å; D418-L421 WeakPolarHBondContact O-CB 3.4Å; D418-L421 PolarHBondContact O-N 2.88Å; D418-L421 VanDerWaalsContact O-N 3.13Å; D418-E422 PolarHBondContact O-N 3.2Å
419Q91.4Very high89.7Confident124 Ų12451 Ų5158%0.57929%0.29SS*.Hα-helixtrans-60.5-43173-71.417128.700111.8Q415 L421 E422 A423Q415-Q419 WeakPolarHBondContact O-CG 3.42Å; Q415-Q419 PolarHBondContact O-N 2.67Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; Q419-E422 PolarHBondContact O-N 2.75Å; Q419-A423 WeakPolarHBondContact O-CB 3.21Å; Q419-A423 PolarHBondContact O-N 3.16Å
420A92.3Very high88.9Confident5 Ų556.7 Ų56.74%0.04132%0.32CS..Hα-helixtrans-64.5-39.4174.500000111.5A393 Y411 V416 A417 D418 A423 L424A393-A420 HydrophobicContact CB-CB 4.04Å; Y411-A420 HydrophobicContact CD1-CB 4.45Å; Y411-A420 HydrophobicContact CE1-CB 3.7Å; Y411-A420 HydrophobicContact CE2-CB 3.84Å; Y411-A420 WeakPolarHBondContact OH-CB 3.4Å; V416-A420 WeakPolarHBondContact O-CB 3.44Å; V416-A420 PolarHBondContact O-N 2.63Å; A417-A420 PolarHBondContact O-N 3.34Å; D418-A420 VanDerWaalsContact C-N 3.33Å; D418-A420 PolarHBondContact O-N 3.09Å; A420-A423 PolarHBondContact O-N 2.87Å; A420-L424 VanDerWaalsContact O-CB 3.31Å; A420-L424 WeakPolarHBondContact O-CB 3.32Å; A420-L424 WeakPolarHBondContact O-CD1 3.41Å; A420-L424 WeakPolarHBondContact O-CG 3.26Å; A420-L424 PolarHBondContact O-N 3.23Å
421L93.1Very high88.2Confident31 Ų3160.1 Ų60.116%0.16236%0.356CS..Hα-helixtrans-61.1-47176.9-17865.6000111.2V370 A417 D418 Q419 L424 Q425 A436 L438V370-L421 HydrophobicContact CG1-CD1 4.2Å; A417-L421 WeakPolarHBondContact O-CB 3.04Å; A417-L421 PolarHBondContact O-N 2.9Å; D418-L421 WeakPolarHBondContact O-CB 3.4Å; D418-L421 PolarHBondContact O-N 2.88Å; D418-L421 VanDerWaalsContact O-N 3.13Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; L421-L424 PolarHBondContact O-N 2.8Å; L421-Q425 WeakPolarHBondContact O-CG 3.35Å; L421-Q425 PolarHBondContact O-N 2.59Å; L421-A436 VanDerWaalsContact CD1-C 3.4Å; L421-A436 HydrophobicContact CD1-CB 3.68Å; L421-A436 WeakPolarHBondContact CD1-O 3.31Å; L421-L438 HydrophobicContact CD2-CG 4.34Å
422E91.3Very high87.6Confident134 Ų13464.7 Ų64.763%0.62638%0.378SS*.Hα-helixtrans-60.1-47.5175.1-73-179.7178.700111.8D418 Q419 L424 Q425D418-E422 PolarHBondContact O-N 3.2Å; Q419-E422 PolarHBondContact O-N 2.75Å; E422-L424 PolarHBondContact O-N 3.48Å; E422-Q425 WeakPolarHBondContact O-CB 3.45Å; E422-Q425 PolarHBondContact O-N 3.24Å; E422-Q425 VanDerWaalsContact O-N 3.13Å
423A90.9Very high87.8Confident32 Ų3266.8 Ų66.826%0.26439%0.393SS..Hα-helixtrans-62.9-24.4179.100000113.5R391 A393 Q419 A420R391-A423 WeakPolarHBondContact CD-O 3.21Å; R391-A423 WeakPolarHBondContact O-CB 3.42Å; A393-A423 HydrophobicContact CB-CB 4.4Å; Q419-A423 WeakPolarHBondContact O-CB 3.21Å; Q419-A423 PolarHBondContact O-N 3.16Å; A420-A423 PolarHBondContact O-N 2.87Å
424L91.6Very high88.1Confident1 Ų165 Ų651%0.00538%0.383CS..THydrogen-bonded Turntrans-95.4-4.4-179.7-63.1171000113.5L372 L388 R391 A393 L409 A420 L421 E422 G426 L427 A436L372-L424 HydrophobicContact CD2-CD1 4.27Å; L388-L424 HydrophobicContact CD2-CD1 3.92Å; L388-L424 HydrophobicContact CD2-CD2 3.48Å; L388-L424 VanDerWaalsContact CD2-CD2 3.48Å; L388-L424 HydrophobicContact CD2-CG 4.35Å; R391-L424 HydrophobicContact CB-CD2 4.43Å; A393-L424 HydrophobicContact CB-CD1 4.05Å; A393-L424 HydrophobicContact CB-CD2 3.92Å; A393-L424 HydrophobicContact CB-CG 3.89Å; L409-L424 HydrophobicContact CD1-CD1 3.82Å; A420-L424 VanDerWaalsContact O-CB 3.31Å; A420-L424 WeakPolarHBondContact O-CB 3.32Å; A420-L424 WeakPolarHBondContact O-CD1 3.41Å; A420-L424 WeakPolarHBondContact O-CG 3.26Å; A420-L424 PolarHBondContact O-N 3.23Å; L421-L424 PolarHBondContact O-N 2.8Å; E422-L424 PolarHBondContact O-N 3.48Å; L424-G426 PolarHBondContact O-N 3.4Å; L424-L427 HydrophobicContact CD2-CD2 3.74Å; L424-L427 VanDerWaalsContact O-CB 3.29Å; L424-L427 WeakPolarHBondContact O-CB 3.42Å; L424-L427 PolarHBondContact O-N 3.11Å; L424-A436 HydrophobicContact CB-CB 3.92Å
425Q89Confident88.3Confident133 Ų13368 Ų6862%0.62139%0.391SS*.THydrogen-bonded Turntrans-61.9133.1173-69.5-176.311.400110.6L421 E422 L427L421-Q425 WeakPolarHBondContact O-CG 3.35Å; L421-Q425 PolarHBondContact O-N 2.59Å; E422-Q425 WeakPolarHBondContact O-CB 3.45Å; E422-Q425 PolarHBondContact O-N 3.24Å; E422-Q425 VanDerWaalsContact O-N 3.13Å; Q425-L427 PolarHBondContact O-N 2.9Å
426G83.4Confident88.5Confident66 Ų6662.4 Ų62.468%0.6837%0.37SS*.THydrogen-bonded Turntrans68.312.1-179.200000114.7L424 S428L424-G426 PolarHBondContact O-N 3.4Å; G426-S428 PolarHBondContact O-N 3.42Å; G426-S428 VanDerWaalsContact O-N 3.16Å
427L88.9Confident88.7Confident5 Ų563.3 Ų63.33%0.02637%0.37CS..  trans-61.8118.9175.2179.162.5000110A387 R391 L424 Q425 L429 L434A387-L427 HydrophobicContact CB-CD1 4.43Å; R391-L427 HydrophobicContact CG-CD1 4.49Å; L424-L427 HydrophobicContact CD2-CD2 3.74Å; L424-L427 VanDerWaalsContact O-CB 3.29Å; L424-L427 WeakPolarHBondContact O-CB 3.42Å; L424-L427 PolarHBondContact O-N 3.11Å; Q425-L427 PolarHBondContact O-N 2.9Å; L427-L429 HydrophobicContact CD1-CD2 4.23Å; L427-L429 HydrophobicContact CD1-CG 4.41Å; L427-L429 HydrophobicContact CG-CG 4.39Å; L427-L434 HydrophobicContact CD2-CD1 3.86Å; L427-L434 HydrophobicContact CG-CD1 4.25Å; L427-L434 PolarHBondContact O-N 2.75Å
428S86.8Confident88.7Confident67 Ų6766 Ų6647%0.46939%0.385SS..EExtended strand (participates in β ladder)trans-116.7132.5172.2610000110.4G426 H432G426-S428 PolarHBondContact O-N 3.42Å; G426-S428 VanDerWaalsContact O-N 3.16Å; S428-H432 CarbonylContact C-O 3.47Å; S428-H432 VanDerWaalsContact CA-O 3.28Å; S428-H432 WeakPolarHBondContact CA-O 3.08Å
429L83.7Confident88.5Confident28 Ų2863 Ų6315%0.14737%0.37CS..EExtended strand (participates in β ladder)trans-125.2125.7176.5-64.6178.9000109L379 L384 A387 L427 G431 H432 L434L379-L429 HydrophobicContact CD1-CB 3.75Å; L379-L429 HydrophobicContact CD1-CD1 4.02Å; L379-L429 HydrophobicContact CD2-CD1 3.77Å; L384-L429 HydrophobicContact CD1-CD1 4.19Å; A387-L429 HydrophobicContact CB-CD1 4.02Å; A387-L429 HydrophobicContact CB-CD2 3.73Å; A387-L429 HydrophobicContact CB-CG 4.46Å; L427-L429 HydrophobicContact CD1-CD2 4.23Å; L427-L429 HydrophobicContact CD1-CG 4.41Å; L427-L429 HydrophobicContact CG-CG 4.39Å; L429-G431 PolarHBondContact O-N 3.03Å; L429-H432 PolarHBondContact N-O 3.21Å; L429-H432 PolarHBondContact O-N 3.25Å; L429-L434 HydrophobicContact CD1-CD1 3.81Å; L429-L434 HydrophobicContact CG-CD1 4.29Å
430N79.6Confident87.4Confident121 Ų12165.1 Ų65.165%0.64738%0.377SS*.THydrogen-bonded Turntrans5337.3-176-60.3-29.1000113.3H432N430-H432 VanDerWaalsContact C-N 3.28Å; N430-H432 PolarHBondContact O-CD2 2.79Å; N430-H432 VanDerWaalsContact O-CD2 3.24Å; N430-H432 PolarHBondContact O-N 3.16Å
431G78.7Confident85.7Confident76 Ų7670 Ų7078%0.78441%0.411SS*.THydrogen-bonded Turntrans78.35.4-178.900000115.1L429L429-G431 PolarHBondContact O-N 3.03Å
432H81.9Confident83.7Confident102 Ų10272.5 Ų72.547%0.47242%0.422SS..EExtended strand (participates in β ladder)trans-109.1123176.5-60-81.3000110.8P376 S428 L429 N430P376-H432 HydrophobicContact CG-CB 3.43Å; P376-H432 VanDerWaalsContact CG-CB 3.43Å; P376-H432 VanDerWaalsContact CG-CD2 3.4Å; P376-H432 WeakPolarHBondContact CG-CD2 3.35Å; P376-H432 VanDerWaalsContact CG-CG 3.46Å; S428-H432 CarbonylContact C-O 3.47Å; S428-H432 VanDerWaalsContact CA-O 3.28Å; S428-H432 WeakPolarHBondContact CA-O 3.08Å; L429-H432 PolarHBondContact N-O 3.21Å; L429-H432 PolarHBondContact O-N 3.25Å; N430-H432 VanDerWaalsContact C-N 3.28Å; N430-H432 PolarHBondContact O-CD2 2.79Å; N430-H432 VanDerWaalsContact O-CD2 3.24Å; N430-H432 PolarHBondContact O-N 3.16Å
433S88.5Confident81.6Confident88 Ų8874.8 Ų74.862%0.61543%0.425SS*.EExtended strand (participates in β ladder)trans-73.2129.5174.8-56.80000111
434L91.8Very high79.2Confident12 Ų1276.3 Ų76.36%0.06344%0.444CS..  trans-88.9147.7172.8-62.2-177.3000110.3G374 I375 L384 L427 L429G374-L434 WeakPolarHBondContact O-CD2 3.3Å; I375-L434 HydrophobicContact CB-CD2 4.37Å; I375-L434 HydrophobicContact CG1-CD2 3.92Å; L384-L434 HydrophobicContact CD1-CD1 4.02Å; L427-L434 HydrophobicContact CD2-CD1 3.86Å; L427-L434 HydrophobicContact CG-CD1 4.25Å; L427-L434 PolarHBondContact O-N 2.75Å; L429-L434 HydrophobicContact CD1-CD1 3.81Å; L429-L434 HydrophobicContact CG-CD1 4.29Å
435Q92.1Very high76.6Confident132 Ų13285.5 Ų85.562%0.61749%0.486SS*.EExtended strand (participates in β ladder)trans-104.3111.7177.7-67.2177-16.100109.2L372 G373L372-Q435 CarbonylContact C-O 3.5Å; L372-Q435 VanDerWaalsContact CA-O 3.3Å; L372-Q435 WeakPolarHBondContact CA-O 3.28Å; G373-Q435 PolarHBondContact N-O 3.03Å; G373-Q435 PolarHBondContact O-N 3.24Å
436A93.7Very high73.9Confident29 Ų2988.7 Ų88.724%0.2450%0.498CS..EExtended strand (participates in β ladder)trans-100.2128.2174.300000110.4V370 Y371 L372 L421 L424V370-A436 HydrophobicContact CG1-CB 4.44Å; Y371-A436 WeakPolarHBondContact O-CA 3.29Å; L372-A436 HydrophobicContact CD2-CB 3.53Å; L421-A436 VanDerWaalsContact CD1-C 3.4Å; L421-A436 HydrophobicContact CD1-CB 3.68Å; L421-A436 WeakPolarHBondContact CD1-O 3.31Å; L424-A436 HydrophobicContact CB-CB 3.92Å
437E93.2Very high71.4Confident71 Ų7197.6 Ų97.633%0.33251%0.511SS..EExtended strand (participates in β ladder)trans-150.4157.8173.654.5168.7-165.300111.6V370 Y371V370-E437 CarbonylContact C-O 3.49Å; Y371-E437 WeakPolarHBondContact CA-O 3.45Å; Y371-E437 WeakPolarHBondContact CB-O 3.33Å; Y371-E437 HydrophobicContact CD1-CG 3.56Å; Y371-E437 HydrophobicContact CE1-CG 4.36Å; Y371-E437 HydrophobicContact CG-CG 4.34Å; Y371-E437 PolarHBondContact N-O 2.94Å; Y371-E437 PolarHBondContact O-N 2.94Å
438L90.8Very high68.8Low58 Ų58103.4 Ų103.430%0.30455%0.552SS.*EExtended strand (participates in β ladder)trans-67135.9171.9-70.8171.3000111.1T368 V370 A417 L421T368-L438 HydrophobicContact CG2-CD2 3.78Å; V370-L438 HydrophobicContact CG2-CD2 4.22Å; A417-L438 HydrophobicContact CB-CD2 4.36Å; L421-L438 HydrophobicContact CD2-CG 4.34Å
439A85.6Confident66.1Low9 Ų9103.3 Ų103.37%0.07456%0.562CS.*  trans-65142-177.500000112.5T369 S441 Q442T369-A439 HydrophobicContact CG2-CB 3.92Å; T369-A439 WeakPolarHBondContact O-CB 3.19Å; T369-A439 PolarHBondContact O-N 3.49Å; A439-S441 PolarHBondContact O-N 2.85Å; A439-Q442 PolarHBondContact O-N 3.09Å; A439-Q442 VanDerWaalsContact O-N 3.1Å
440K68.2Low63.6Low167 Ų167110.5 Ų110.573%0.72659%0.594SS**G310 helixtrans-61.2-17.6-169.3-65.6-179.8-178.9178.10115.4Q442K440-Q442 VanDerWaalsContact C-N 3.25Å; K440-Q442 PolarHBondContact O-N 3.01Å
441S56.7Low61.2Low108 Ų108116.4 Ų116.476%0.75561%0.608SS**G310 helixtrans-76.8-4.2176.456.40000114.4A439A439-S441 PolarHBondContact O-N 2.85Å
442Q50.7Low58.9Low84 Ų84121.1 Ų121.139%0.39361%0.609SS.*G310 helixtrans-117.98.7-179-63.9-151.5-22.200115.4V367 T368 A439 K440 G444V367-Q442 PolarHBondContact O-NE2 3.2Å; T368-Q442 VanDerWaalsContact CA-OE1 3.3Å; T368-Q442 VanDerWaalsContact CG2-OE1 3.32Å; T368-Q442 PolarHBondContact OG1-OE1 2.96Å; A439-Q442 PolarHBondContact O-N 3.09Å; A439-Q442 VanDerWaalsContact O-N 3.1Å; K440-Q442 VanDerWaalsContact C-N 3.25Å; K440-Q442 PolarHBondContact O-N 3.01Å; Q442-G444 PolarHBondContact O-N 3.24Å; Q442-G444 VanDerWaalsContact O-N 3.08Å
443R47.8Very low56.4Low182 Ų182125.4 Ų125.469%0.68763%0.627SS**  trans-713.4174.8-79.9-170.6178-169.70.7114.7
444G40.6Very low53.8Low64 Ų64127.2 Ų127.266%0.6664%0.636SS**THydrogen-bonded Turntrans-10267.9-174.900000114.4Q442Q442-G444 PolarHBondContact O-N 3.24Å; Q442-G444 VanDerWaalsContact O-N 3.08Å
445H36.2Very low50.7Low194 Ų194132.3 Ų132.390%0.89867%0.673SS**THydrogen-bonded Turntrans-168.428.6150.9-104.232.7000114.5
446K32.2Very low47.8Very low200 Ų200130.6 Ų130.687%0.8768%0.681SS**SBendtrans-96.9105151.5-90.3-176.6177.2175.90107.3S448K446-S448 PolarHBondContact O-N 3.27Å
447R32Very low44.7Very low252 Ų252133.8 Ų133.895%0.95171%0.707SS**  trans-49.4101.8173.6-84.8175.8161.4176.2-5.5110.1G449R447-G449 PolarHBondContact O-N 3.45Å
448S33.9Very low41.7Very low128 Ų128134.6 Ų134.690%0.89573%0.726SS**  trans-80.293.115457.50000107K446K446-S448 PolarHBondContact O-N 3.27Å
449G31Very low38.8Very low65 Ų65141.9 Ų141.967%0.6776%0.756SS**  trans-15949.9-172.100000113.2R447R447-G449 PolarHBondContact O-N 3.45Å
450Q30.7Very low36.2Very low178 Ų178146.5 Ų146.583%0.83279%0.793SS**  trans-144.594.7145.5-110.7179.211.600108.5Q452Q450-Q452 PolarHBondContact O-N 3.29Å
451R29.2Very low34.3Very low246 Ų246146.4 Ų146.493%0.92880%0.801SS**  trans-87.893.9165.6-160.8177.7-178-168.60.6105.3
452Q30.1Very low33.1Very low174 Ų174145.5 Ų145.581%0.81380%0.8SS**PPolyproline II helixtrans-77.5126160.2-79.7-174-5.900107.7Q450Q450-Q452 PolarHBondContact O-N 3.29Å
453K30Very low32.2Very low193 Ų193147.1 Ų147.184%0.83982%0.821SS**PPolyproline II helixtrans-64.5156.3178.6-91178.5171.4179.20111.3
454P34Very low32.2Very low125 Ų125144 Ų14481%0.81282%0.824SS**PPolyproline II helixtrans-85.5141.6176.135.3-31.7000112.2
455S26.6Very low32.5Very low120 Ų120145.8 Ų145.884%0.83982%0.824SS**  trans167135.1168.5161.70000105.3
456A30.4Very low32.4Very low95 Ų95143.2 Ų143.279%0.78582%0.817SS**  cis-162-178.72.800000106.4
457A29.7Very low32.4Very low96 Ų96138.7 Ų138.779%0.79382%0.817SS**  trans-69.6158.7-169.900000117.2
458A29Very low32.6Very low88 Ų88135.6 Ų135.673%0.72781%0.81SS**  trans85.5118.813900000122
459K30.1Very low32.6Very low212 Ų212133.8 Ų133.892%0.92280%0.797SS**  trans60120.3137.2-65.5-177.7178.2-178.80119.6
460A30.7Very low32.7Very low105 Ų105138.4 Ų138.487%0.86881%0.807SS**  -161.5149.4125.100000112.7
461N29.4Very low32.9Very low165 Ų165134.3 Ų134.388%0.88280%0.804SS**  trans-58.8158.1-167.1-71.8-31.6000119.3
462A31.3Very low33.4Very low89 Ų89127 Ų12774%0.73680%0.795SS**  trans-60.8160.3160.300000114.8
463S30.4Very low33.7Very low119 Ų119126.7 Ų126.783%0.83279%0.792SS**  trans-168.9158.6134.6-81.70000112.3
464P48.9Very low33.9Very low116 Ų116124.7 Ų124.775%0.75379%0.785SS**  trans-108.3-152.6-160.245.8-31.2000109.9
465P47.6Very low34.5Very low102 Ų102123.4 Ų123.466%0.66279%0.785SS**  cis-132.9-166.717.142.1-18.9000112.5
466D33.6Very low35.2Very low140 Ų140125 Ų12575%0.74978%0.784SS**  cis-169.8149.428.8-117.1-33.5000109
467A31.7Very low35.4Very low104 Ų104132.5 Ų132.586%0.8680%0.803SS**  trans-153.9102.6153.700000109.8
468K36Very low35.7Very low187 Ų187134.4 Ų134.481%0.81380%0.803SS**  trans-72.3164.4165.1-78.7-176.3-179.5179.70110.1
469S33.9Very low36.1Very low90 Ų90136.8 Ų136.863%0.62981%0.807SS**  cis176.9148.1-15.454.50000104.6
470D33.2Very low36.4Very low162 Ų162132.6 Ų132.687%0.86680%0.801SS**  trans153.1147.1150.1-87.2-13.7000107.8
471A35.8Very low36.8Very low93 Ų93134.2 Ų134.277%0.76980%0.797SS**  cis-163.4164.4-26.300000103.8
472A38.7Very low37.2Very low91 Ų91132.3 Ų132.375%0.75279%0.792SS**  trans-66.7156.9-168.300000115.7
473K36.3Very low37.6Very low169 Ų169135.2 Ų135.274%0.73580%0.796SS**  167.3142.1107.4-95.7179.3159-129.70114.3
474E35.1Very low38.1Very low151 Ų151136.4 Ų136.471%0.70679%0.793SS**  trans46.3109.3142.6-68.4165.2137.800117.9
475A45.8Very low37.3Very low97 Ų97137.9 Ų137.980%0.80280%0.796SS**  70.898.97100000114.7
476D42.3Very low36.4Very low154 Ų154140.9 Ų140.982%0.82481%0.807SS**  trans72.3137.5138-131.817.3000121.9
477Q34.7Very low36.7Very low253 Ų253141 Ų141100%1.18281%0.812SS**  trans86.60169.8-61.5-179.320.600119.5

Retrieved 477 of 477 residues in 392.2 ms (Link to these results)

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