A0A087X766_POEFO Loading...

ceramide glucosyltransferase

AlphaFold DB , UniProt , Accession A0A087X766, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 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
1M61.4Low88.3Confident169 Ų16984.7 Ų84.783%0.83350%0.496SS*.  0135.50-77.6-172.1-77.400107.8D5 V6 Q9M1-D5 HydrophobicContact CB-CB 4.33Å; M1-V6 HydrophobicContact CB-CG2 3.88Å; M1-V6 HydrophobicContact CE-CG2 4.48Å; M1-Q9 PolarHBondContact SD-NE2 2.8Å
2A84.7Confident88.9Confident49 Ų4977.9 Ų77.941%0.40546%0.457SS..  trans-65.2149.8174.600000109.1L4 D5 V6A2-L4 PolarHBondContact O-N 2.74Å; A2-D5 WeakPolarHBondContact CB-OD2 3.12Å; A2-D5 PolarHBondContact N-OD2 3.36Å; A2-D5 WeakPolarHBondContact O-CB 3.42Å; A2-D5 PolarHBondContact O-N 2.97Å; A2-V6 PolarHBondContact O-N 2.75Å
3P87.9Confident89.5Confident118 Ų11878.8 Ų78.877%0.76646%0.463SS*.Hα-helixtrans-51.3-32.3175.7-28.535.2000113.4A7P3-A7 PolarHBondContact O-N 3.36Å; P3-A7 VanDerWaalsContact O-N 3.1Å
4L90Very high90Very high116 Ų11679.2 Ų79.261%0.60746%0.457SS*.Hα-helixtrans-64.2-45.1174.7-177.761.3000112.6A2 V6 A7 L8A2-L4 PolarHBondContact O-N 2.74Å; L4-V6 VanDerWaalsContact C-N 3.29Å; L4-V6 PolarHBondContact O-N 3.44Å; L4-A7 PolarHBondContact O-N 3.41Å; L4-L8 HydrophobicContact CD1-CD1 4.25Å; L4-L8 HydrophobicContact CD1-CG 4.22Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.39Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.21Å; L4-L8 PolarHBondContact O-N 3.29Å
5D88.9Confident90.5Very high72 Ų7273.9 Ų73.939%0.38543%0.426SS..Hα-helixtrans-61.8-41.1-179.9-57.7-36.5000111.1M1 A2 L8 Q9M1-D5 HydrophobicContact CB-CB 4.33Å; A2-D5 WeakPolarHBondContact CB-OD2 3.12Å; A2-D5 PolarHBondContact N-OD2 3.36Å; A2-D5 WeakPolarHBondContact O-CB 3.42Å; A2-D5 PolarHBondContact O-N 2.97Å; D5-L8 PolarHBondContact O-N 2.96Å; D5-Q9 WeakPolarHBondContact O-CB 3.36Å; D5-Q9 VanDerWaalsContact O-CG 3.24Å; D5-Q9 WeakPolarHBondContact O-CG 3.27Å; D5-Q9 PolarHBondContact O-N 2.98Å
6V91.2Very high90.9Very high74 Ų7473.1 Ų73.145%0.44842%0.419SS..Hα-helixtrans-65-41.9177.51800000110.7M1 A2 L4 Q9 G10M1-V6 HydrophobicContact CB-CG2 3.88Å; M1-V6 HydrophobicContact CE-CG2 4.48Å; A2-V6 PolarHBondContact O-N 2.75Å; L4-V6 VanDerWaalsContact C-N 3.29Å; L4-V6 PolarHBondContact O-N 3.44Å; V6-Q9 PolarHBondContact O-N 2.83Å; V6-G10 PolarHBondContact O-N 2.82Å
7A91.8Very high91.3Very high60 Ų6073.6 Ų73.650%0.49642%0.424SS..Hα-helixtrans-64.1-42.8176.600000112.4P3 L4 G10 F11P3-A7 PolarHBondContact O-N 3.36Å; P3-A7 VanDerWaalsContact O-N 3.1Å; L4-A7 PolarHBondContact O-N 3.41Å; A7-G10 PolarHBondContact O-N 3.04Å; A7-F11 PolarHBondContact O-N 3.46Å
8L93.3Very high91.7Very high55 Ų5570.4 Ų70.429%0.28841%0.405SS..Hα-helixtrans-66.3-40177.7-64.8171000111.8L4 D5 F11 S12 W305L4-L8 HydrophobicContact CD1-CD1 4.25Å; L4-L8 HydrophobicContact CD1-CG 4.22Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.39Å; L4-L8 VanDerWaalsContact O-CG 3.26Å; L4-L8 WeakPolarHBondContact O-CG 3.21Å; L4-L8 PolarHBondContact O-N 3.29Å; D5-L8 PolarHBondContact O-N 2.96Å; L8-F11 PolarHBondContact O-N 3.46Å; L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 3.16Å; L8-S12 PolarHBondContact O-OG 3.3Å; L8-W305 HydrophobicContact CB-CH2 4.25Å; L8-W305 HydrophobicContact CD2-CH2 4.02Å; L8-W305 HydrophobicContact CD2-CZ2 3.69Å; L8-W305 WeakPolarHBondContact O-CH2 3.16Å
9Q92.9Very high92Very high90 Ų9070.8 Ų70.842%0.42140%0.402SS..Hα-helixtrans-62.6-45.9173.1-75.1173.95.700111.1M1 D5 V6 F11 S12 V13M1-Q9 PolarHBondContact SD-NE2 2.8Å; D5-Q9 WeakPolarHBondContact O-CB 3.36Å; D5-Q9 VanDerWaalsContact O-CG 3.24Å; D5-Q9 WeakPolarHBondContact O-CG 3.27Å; D5-Q9 PolarHBondContact O-N 2.98Å; V6-Q9 PolarHBondContact O-N 2.83Å; Q9-F11 PolarHBondContact O-N 3.11Å; Q9-S12 WeakPolarHBondContact O-CB 3.32Å; Q9-S12 PolarHBondContact O-N 2.81Å; Q9-S12 VanDerWaalsContact O-N 3.16Å; Q9-V13 WeakPolarHBondContact O-CG2 3.3Å; Q9-V13 PolarHBondContact O-N 2.96Å
10G94Very high92.3Very high41 Ų4170.2 Ų70.242%0.42341%0.405SS..Hα-helixtrans-58.9-44.9176.500000112.8V6 A7 S12 V13 F14V6-G10 PolarHBondContact O-N 2.82Å; A7-G10 PolarHBondContact O-N 3.04Å; G10-S12 VanDerWaalsContact C-N 3.3Å; G10-S12 PolarHBondContact O-N 3.32Å; G10-V13 PolarHBondContact O-N 2.97Å; G10-F14 PolarHBondContact O-N 2.58Å
11F95.3Very high92.5Very high88 Ų8870.1 Ų70.139%0.38641%0.406SS..Hα-helixtrans-66.2-33177-169.7-126.7000112.2A7 L8 Q9 F14 G15 I302 W305A7-F11 PolarHBondContact O-N 3.46Å; L8-F11 PolarHBondContact O-N 3.46Å; Q9-F11 PolarHBondContact O-N 3.11Å; F11-F14 HydrophobicContact CD2-CD1 4.16Å; F11-F14 HydrophobicContact CE2-CD1 4.05Å; F11-F14 WeakPolarHBondContact O-CB 3.35Å; F11-F14 PolarHBondContact O-N 2.96Å; F11-G15 PolarHBondContact O-N 3.32Å; F11-I302 HydrophobicContact CE2-CG2 4.13Å; F11-I302 HydrophobicContact CZ-CG1 4.27Å; F11-I302 HydrophobicContact CZ-CG2 3.9Å; F11-W305 HydrophobicContact CB-CH2 4.13Å; F11-W305 HydrophobicContact CB-CZ3 3.88Å; F11-W305 AromaticContact CD1-CD2 3.86Å; F11-W305 HydrophobicContact CD1-CD2 3.86Å; F11-W305 AromaticContact CD1-CE3 3.25Å; F11-W305 HydrophobicContact CD1-CE3 3.25Å; F11-W305 AromaticContact CD1-CH2 3.6Å; F11-W305 HydrophobicContact CD1-CH2 3.6Å; F11-W305 HydrophobicContact CD1-CZ2 4.12Å; F11-W305 AromaticContact CD1-CZ3 3.13Å; F11-W305 HydrophobicContact CD1-CZ3 3.13Å; F11-W305 AromaticContact CE1-CD2 3.84Å; F11-W305 HydrophobicContact CE1-CD2 3.84Å; F11-W305 AromaticContact CE1-CE3 3.5Å; F11-W305 HydrophobicContact CE1-CE3 3.5Å; F11-W305 HydrophobicContact CE1-CG 4.44Å; F11-W305 AromaticContact CE1-CZ3 3.92Å; F11-W305 HydrophobicContact CE1-CZ3 3.92Å; F11-W305 HydrophobicContact CG-CE3 4.26Å; F11-W305 HydrophobicContact CG-CH2 4.34Å; F11-W305 AromaticContact CG-CZ3 3.85Å; F11-W305 HydrophobicContact CG-CZ3 3.85Å
12S95.7Very high94.2Very high3 Ų362.3 Ų62.32%0.02137%0.368CS..Hα-helixtrans-67.5-44.7175.5-60.60000111.3L8 Q9 G10 F14 G15 L16 W305 H309L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 3.16Å; L8-S12 PolarHBondContact O-OG 3.3Å; Q9-S12 WeakPolarHBondContact O-CB 3.32Å; Q9-S12 PolarHBondContact O-N 2.81Å; Q9-S12 VanDerWaalsContact O-N 3.16Å; G10-S12 VanDerWaalsContact C-N 3.3Å; G10-S12 PolarHBondContact O-N 3.32Å; S12-F14 VanDerWaalsContact C-N 3.31Å; S12-F14 PolarHBondContact O-N 3.29Å; S12-G15 PolarHBondContact O-N 3.23Å; S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 3.05Å; S12-W305 WeakPolarHBondContact OG-CZ3 3.36Å; S12-H309 PolarHBondContact OG-CD2 3.36Å
13V96.9Very high94.9Very high90 Ų9061.5 Ų61.555%0.54535%0.354SS..Hα-helixtrans-59-44.7173.9173.50000110.4Q9 G10 G15 L16 V17Q9-V13 WeakPolarHBondContact O-CG2 3.3Å; Q9-V13 PolarHBondContact O-N 2.96Å; G10-V13 PolarHBondContact O-N 2.97Å; V13-G15 PolarHBondContact O-N 3.11Å; V13-L16 PolarHBondContact O-N 3.26Å; V13-V17 HydrophobicContact CG1-CG2 4.27Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.25Å; V13-V17 PolarHBondContact O-N 2.9Å
14F96.4Very high95.4Very high84 Ų8460.6 Ų60.637%0.36834%0.342SS..Hα-helixtrans-56.3-48.1174.8173.6-100.2000112.1G10 F11 S12 L16 V17 L18 I302G10-F14 PolarHBondContact O-N 2.58Å; F11-F14 HydrophobicContact CD2-CD1 4.16Å; F11-F14 HydrophobicContact CE2-CD1 4.05Å; F11-F14 WeakPolarHBondContact O-CB 3.35Å; F11-F14 PolarHBondContact O-N 2.96Å; S12-F14 VanDerWaalsContact C-N 3.31Å; S12-F14 PolarHBondContact O-N 3.29Å; F14-L16 PolarHBondContact O-N 2.78Å; F14-V17 PolarHBondContact O-N 2.75Å; F14-L18 HydrophobicContact CE1-CD2 4.21Å; F14-L18 HydrophobicContact CZ-CD2 4.49Å; F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 PolarHBondContact O-N 3.14Å; F14-I302 HydrophobicContact CD1-CG2 4.05Å; F14-I302 HydrophobicContact CE1-CG2 4.02Å
15G97.3Very high95.7Very high0 Ų056.7 Ų56.70%032%0.321CS..Hα-helixtrans-60.8-41.7177.700000113.3F11 S12 V13 L18 F19 I303F11-G15 PolarHBondContact O-N 3.32Å; S12-G15 PolarHBondContact O-N 3.23Å; V13-G15 PolarHBondContact O-N 3.11Å; G15-L18 WeakPolarHBondContact O-CB 3.25Å; G15-L18 PolarHBondContact O-N 3.14Å; G15-F19 PolarHBondContact O-N 2.8Å; G15-I303 WeakPolarHBondContact O-CG1 3.28Å
16L97.3Very high96.1Very high61 Ų6153.3 Ų53.332%0.31930%0.304SS..Hα-helixtrans-68.9-39.4177.9-64.2176.8000112.6S12 V13 F14 F19 A20 V310 F311S12-L16 WeakPolarHBondContact O-CG 3.44Å; S12-L16 PolarHBondContact O-N 3.05Å; V13-L16 PolarHBondContact O-N 3.26Å; F14-L16 PolarHBondContact O-N 2.78Å; L16-F19 PolarHBondContact O-N 3.09Å; L16-A20 PolarHBondContact O-N 3.48Å; L16-A20 VanDerWaalsContact O-N 3.07Å; L16-V310 HydrophobicContact CD1-CG2 4.42Å; L16-F311 HydrophobicContact CD2-CE2 3.88Å
17V97.8Very high96.5Very high82 Ų8255.3 Ų55.350%0.49731%0.306SS..Hα-helixtrans-64.2-43.4173.2171.50000110.3V13 F14 F19 A20 V21V13-V17 HydrophobicContact CG1-CG2 4.27Å; V13-V17 WeakPolarHBondContact O-CB 3.47Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.25Å; V13-V17 PolarHBondContact O-N 2.9Å; F14-V17 PolarHBondContact O-N 2.75Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 2.9Å; V17-A20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.21Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 2.91Å
18L97.3Very high96.7Very high16 Ų1654.3 Ų54.38%0.08429%0.292CS..Hα-helixtrans-58-46.1176.4-177.764.9000110.9F14 G15 A20 V21 L22 V293 I302 I303F14-L18 HydrophobicContact CE1-CD2 4.21Å; F14-L18 HydrophobicContact CZ-CD2 4.49Å; F14-L18 VanDerWaalsContact O-CB 3.25Å; F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 PolarHBondContact O-N 3.14Å; G15-L18 WeakPolarHBondContact O-CB 3.25Å; G15-L18 PolarHBondContact O-N 3.14Å; L18-A20 PolarHBondContact O-N 3.14Å; L18-V21 PolarHBondContact O-N 3.37Å; L18-L22 HydrophobicContact CD1-CD1 3.66Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.94Å; L18-L22 HydrophobicContact CD2-CD1 4.4Å; L18-L22 HydrophobicContact CG-CD1 3.65Å; L18-L22 HydrophobicContact CG-CG 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.7Å; L18-V293 HydrophobicContact CD1-CG2 4.19Å; L18-I302 HydrophobicContact CD2-CB 4.35Å; L18-I302 HydrophobicContact CD2-CD1 4.39Å; L18-I302 HydrophobicContact CD2-CG2 4.07Å; L18-I303 HydrophobicContact CD2-CG1 4.37Å; L18-I303 HydrophobicContact CG-CD1 4.5Å
19F97.9Very high96.9Very high77 Ų7751.7 Ų51.734%0.33828%0.278SS..Hα-helixtrans-55.9-52.2173.9176.8-93.7000111.9G15 L16 V17 V21 L22 W23 I303 F318 H322G15-F19 PolarHBondContact O-N 2.8Å; L16-F19 PolarHBondContact O-N 3.09Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 2.9Å; F19-V21 VanDerWaalsContact C-N 3.35Å; F19-V21 PolarHBondContact O-N 2.8Å; F19-L22 PolarHBondContact O-N 2.54Å; F19-W23 AromaticContact CD2-CD1 3.35Å; F19-W23 AromaticContact CD2-NE1 3.42Å; F19-W23 AromaticContact CE1-CD1 3.96Å; F19-W23 AromaticContact CE2-CD1 3.24Å; F19-W23 HydrophobicContact CE2-CG 4.35Å; F19-W23 AromaticContact CE2-NE1 3.09Å; F19-W23 AromaticContact CG-CD1 3.81Å; F19-W23 AromaticContact CZ-CD1 3.55Å; F19-W23 HydrophobicContact CZ-CG 4.35Å; F19-W23 AromaticContact CZ-NE1 3.73Å; F19-W23 WeakPolarHBondContact O-CB 3.46Å; F19-W23 VanDerWaalsContact O-CD1 3.24Å; F19-W23 PolarHBondContact O-N 3.07Å; F19-I303 HydrophobicContact CB-CD1 3.87Å; F19-I303 HydrophobicContact CB-CG1 4.04Å; F19-I303 HydrophobicContact CB-CG2 3.77Å; F19-I303 HydrophobicContact CD2-CD1 4.21Å; F19-I303 HydrophobicContact CD2-CG2 3.78Å; F19-I303 HydrophobicContact CG-CG2 4.11Å; F19-F318 HydrophobicContact CD2-CZ 4.47Å; F19-F318 HydrophobicContact CE2-CZ 4.4Å; F19-H322 AromaticContact CD2-NE2 3.75Å; F19-H322 AromaticContact CE2-CD2 3.81Å; F19-H322 AromaticContact CE2-NE2 3.9Å
20A98.1Very high97.2Very high58 Ų5848.7 Ų48.748%0.47927%0.265SS..Hα-helixtrans-59.9-44.1-178.800000112.2L16 V17 L18 L24L16-A20 PolarHBondContact O-N 3.48Å; L16-A20 VanDerWaalsContact O-N 3.07Å; V17-A20 PolarHBondContact O-N 3.19Å; L18-A20 PolarHBondContact O-N 3.14Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.5Å
21V96.9Very high97.4Very high70 Ų7051.3 Ų51.342%0.42427%0.268SS..Hα-helixtrans-65.3-48179.4171.40000111.3V17 L18 F19 L24 M25V17-V21 HydrophobicContact CG1-CG2 4.21Å; V17-V21 WeakPolarHBondContact O-CG2 3.36Å; V17-V21 PolarHBondContact O-N 2.91Å; L18-V21 PolarHBondContact O-N 3.37Å; F19-V21 VanDerWaalsContact C-N 3.35Å; F19-V21 PolarHBondContact O-N 2.8Å; V21-L24 WeakPolarHBondContact O-CB 3.2Å; V21-L24 PolarHBondContact O-N 3.38Å; V21-M25 HydrophobicContact CG1-SD 4.17Å; V21-M25 VanDerWaalsContact O-CG 3.32Å; V21-M25 WeakPolarHBondContact O-CG 3.46Å; V21-M25 PolarHBondContact O-N 3.38Å
22L97.6Very high97.5Very high4 Ų448.7 Ų48.72%0.02126%0.256CS..Hα-helixtrans-67.1-40.1-176.5-66.9173.1000112.3L18 F19 M25 H26 A299 I303 W326L18-L22 HydrophobicContact CD1-CD1 3.66Å; L18-L22 HydrophobicContact CD1-CD2 4.44Å; L18-L22 HydrophobicContact CD1-CG 3.94Å; L18-L22 HydrophobicContact CD2-CD1 4.4Å; L18-L22 HydrophobicContact CG-CD1 3.65Å; L18-L22 HydrophobicContact CG-CG 4.28Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 WeakPolarHBondContact O-CG 3.43Å; L18-L22 PolarHBondContact O-N 2.7Å; F19-L22 PolarHBondContact O-N 2.54Å; L22-M25 HydrophobicContact CD2-SD 4.36Å; L22-M25 WeakPolarHBondContact O-CB 3.32Å; L22-M25 PolarHBondContact O-N 3.33Å; L22-H26 PolarHBondContact O-CD2 2.92Å; L22-H26 PolarHBondContact O-N 3.38Å; L22-A299 HydrophobicContact CD1-CB 3.62Å; L22-I303 HydrophobicContact CD1-CD1 4.42Å; L22-W326 HydrophobicContact CB-CH2 4.17Å; L22-W326 HydrophobicContact CB-CZ3 4.13Å; L22-W326 HydrophobicContact CD1-CH2 3.88Å; L22-W326 HydrophobicContact CD1-CZ3 3.98Å; L22-W326 HydrophobicContact CD2-CH2 4.35Å; L22-W326 HydrophobicContact CG-CH2 4.36Å
23W98.3Very high97.5Very high32 Ų3248.6 Ų48.612%0.12126%0.255CS..Hα-helixtrans-69.3-37174.9-78.7102.2000112.1F19 M25 H26 F27 H322 A325 A329F19-W23 AromaticContact CD2-CD1 3.35Å; F19-W23 AromaticContact CD2-NE1 3.42Å; F19-W23 AromaticContact CE1-CD1 3.96Å; F19-W23 AromaticContact CE2-CD1 3.24Å; F19-W23 HydrophobicContact CE2-CG 4.35Å; F19-W23 AromaticContact CE2-NE1 3.09Å; F19-W23 AromaticContact CG-CD1 3.81Å; F19-W23 AromaticContact CZ-CD1 3.55Å; F19-W23 HydrophobicContact CZ-CG 4.35Å; F19-W23 AromaticContact CZ-NE1 3.73Å; F19-W23 WeakPolarHBondContact O-CB 3.46Å; F19-W23 VanDerWaalsContact O-CD1 3.24Å; F19-W23 PolarHBondContact O-N 3.07Å; W23-M25 VanDerWaalsContact C-N 3.31Å; W23-M25 PolarHBondContact O-N 2.87Å; W23-H26 HydrophobicContact CE3-CB 4.32Å; W23-H26 WeakPolarHBondContact O-CB 3.45Å; W23-H26 PolarHBondContact O-N 3.08Å; W23-F27 HydrophobicContact CB-CD2 4.46Å; W23-F27 HydrophobicContact CB-CE2 4.04Å; W23-F27 HydrophobicContact CE3-CE2 4.16Å; W23-F27 AromaticContact CE3-CZ 3.93Å; W23-F27 HydrophobicContact CE3-CZ 3.93Å; W23-F27 WeakPolarHBondContact O-CD2 3.36Å; W23-F27 WeakPolarHBondContact O-CG 3.48Å; W23-F27 PolarHBondContact O-N 2.91Å; W23-H322 AromaticContact CE2-NE2 3.72Å; W23-H322 AromaticContact CZ2-CD2 3.94Å; W23-H322 AromaticContact CZ2-NE2 3.91Å; W23-H322 AromaticContact NE1-CD2 3.51Å; W23-H322 AromaticContact NE1-NE2 2.97Å; W23-H322 PolarHBondContact NE1-NE2 3.16Å; W23-A325 HydrophobicContact CH2-CB 3.61Å; W23-A325 HydrophobicContact CZ2-CB 3.89Å; W23-A329 HydrophobicContact CZ3-CB 4.2Å
24L97.9Very high97.4Very high99 Ų9949.6 Ų49.652%0.51825%0.249SC..Hα-helixtrans-59-44.2170.9-176.963.9000110.9A20 V21 H26 F27 M28A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.5Å; V21-L24 WeakPolarHBondContact O-CB 3.2Å; V21-L24 PolarHBondContact O-N 3.38Å; L24-H26 PolarHBondContact O-N 2.84Å; L24-F27 PolarHBondContact O-N 3.12Å; L24-M28 HydrophobicContact CD1-CG 4.15Å; L24-M28 HydrophobicContact CD1-SD 4.34Å; L24-M28 HydrophobicContact CD2-CE 4.37Å; L24-M28 HydrophobicContact CG-CE 3.85Å; L24-M28 HydrophobicContact CG-CG 4.26Å; L24-M28 HydrophobicContact CG-SD 4.02Å; L24-M28 VanDerWaalsContact O-CB 3.31Å; L24-M28 WeakPolarHBondContact O-CB 3.34Å; L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.4Å
25M97.3Very high97.3Very high34 Ų3449.3 Ų49.317%0.16725%0.251CS..Hα-helixtrans-59.9-44.1175.3-71.1175.869.200112.5V21 L22 W23 M28 S29 R196 S200V21-M25 HydrophobicContact CG1-SD 4.17Å; V21-M25 VanDerWaalsContact O-CG 3.32Å; V21-M25 WeakPolarHBondContact O-CG 3.46Å; V21-M25 PolarHBondContact O-N 3.38Å; L22-M25 HydrophobicContact CD2-SD 4.36Å; L22-M25 WeakPolarHBondContact O-CB 3.32Å; L22-M25 PolarHBondContact O-N 3.33Å; W23-M25 VanDerWaalsContact C-N 3.31Å; W23-M25 PolarHBondContact O-N 2.87Å; M25-M28 HydrophobicContact CG-CE 4.16Å; M25-S29 WeakPolarHBondContact O-CB 3.34Å; M25-S29 PolarHBondContact O-N 2.86Å; M25-R196 HydrophobicContact CB-CG 4.21Å; M25-S200 WeakPolarHBondContact CA-OG 3.44Å; M25-S200 VanDerWaalsContact CB-OG 3.31Å; M25-S200 WeakPolarHBondContact CB-OG 3.05Å; M25-S200 WeakPolarHBondContact CG-OG 3.49Å; M25-S200 PolarHBondContact O-OG 3.1Å
26H97.9Very high97.2Very high2 Ų252.8 Ų52.81%0.00927%0.267CS..Hα-helixtrans-57.1-53.8174-90.7-71.2000111.8L22 W23 L24 S29 I30 R196 W326 D330L22-H26 PolarHBondContact O-CD2 2.92Å; L22-H26 PolarHBondContact O-N 3.38Å; W23-H26 HydrophobicContact CE3-CB 4.32Å; W23-H26 WeakPolarHBondContact O-CB 3.45Å; W23-H26 PolarHBondContact O-N 3.08Å; L24-H26 PolarHBondContact O-N 2.84Å; H26-S29 PolarHBondContact O-N 3.49Å; H26-I30 WeakPolarHBondContact O-CB 3.36Å; H26-I30 VanDerWaalsContact O-CG1 3.29Å; H26-I30 WeakPolarHBondContact O-CG1 3.36Å; H26-I30 PolarHBondContact O-N 3.41Å; H26-R196 PolarHBondContact CE1-NH1 3.31Å; H26-W326 AromaticContact CE1-CD1 3.98Å; H26-W326 AromaticContact CE1-CE2 3.97Å; H26-W326 AromaticContact CE1-NE1 3.8Å; H26-W326 AromaticContact NE2-CD1 3.85Å; H26-W326 AromaticContact NE2-CD2 3.37Å; H26-W326 AromaticContact NE2-CE2 3.24Å; H26-W326 AromaticContact NE2-CE3 3.82Å; H26-W326 AromaticContact NE2-CG 3.81Å; H26-W326 AromaticContact NE2-CZ2 3.64Å; H26-W326 AromaticContact NE2-NE1 3.54Å; H26-D330 IonicContact CE1-OD1 2.68Å; H26-D330 PolarHBondContact CE1-OD1 3.18Å; H26-D330 VanDerWaalsContact CE1-OD1 3.31Å
27F98.1Very high97Very high116 Ų11650.2 Ų50.251%0.50925%0.254SS..Hα-helixtrans-63.6-46-178.4-64.1-53.3000112W23 L24 S29 I30 I31W23-F27 HydrophobicContact CB-CD2 4.46Å; W23-F27 HydrophobicContact CB-CE2 4.04Å; W23-F27 HydrophobicContact CE3-CE2 4.16Å; W23-F27 AromaticContact CE3-CZ 3.93Å; W23-F27 HydrophobicContact CE3-CZ 3.93Å; W23-F27 WeakPolarHBondContact O-CD2 3.36Å; W23-F27 WeakPolarHBondContact O-CG 3.48Å; W23-F27 PolarHBondContact O-N 2.91Å; L24-F27 PolarHBondContact O-N 3.12Å; F27-S29 VanDerWaalsContact C-N 3.32Å; F27-S29 PolarHBondContact O-N 2.95Å; F27-I30 PolarHBondContact O-N 3.5Å; F27-I31 HydrophobicContact CB-CD1 4.43Å; F27-I31 VanDerWaalsContact O-CB 3.24Å; F27-I31 WeakPolarHBondContact O-CB 3.46Å; F27-I31 WeakPolarHBondContact O-CD1 3.41Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.74Å
28M97.4Very high96.7Very high39 Ų3949.8 Ų49.819%0.19225%0.246CC..Hα-helixtrans-56.4-47.4176.3-74.4-173.7-56.300111.3L24 M25 Y32 V203 T204L24-M28 HydrophobicContact CD1-CG 4.15Å; L24-M28 HydrophobicContact CD1-SD 4.34Å; L24-M28 HydrophobicContact CD2-CE 4.37Å; L24-M28 HydrophobicContact CG-CE 3.85Å; L24-M28 HydrophobicContact CG-CG 4.26Å; L24-M28 HydrophobicContact CG-SD 4.02Å; L24-M28 VanDerWaalsContact O-CB 3.31Å; L24-M28 WeakPolarHBondContact O-CB 3.34Å; L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.4Å; M25-M28 HydrophobicContact CG-CE 4.16Å; M28-Y32 WeakPolarHBondContact O-CB 3.38Å; M28-Y32 PolarHBondContact O-N 2.8Å; M28-V203 HydrophobicContact SD-CG1 4.21Å; M28-T204 HydrophobicContact CE-CG2 4.36Å; M28-T204 HydrophobicContact SD-CG2 4.45Å
29S97.6Very high96.1Very high0 Ų055.6 Ų55.60%027%0.267CS..Hα-helixtrans-64.1-49.1-179.91800000112.1M25 H26 F27 I31 Y32 V33 Q333M25-S29 WeakPolarHBondContact O-CB 3.34Å; M25-S29 PolarHBondContact O-N 2.86Å; H26-S29 PolarHBondContact O-N 3.49Å; F27-S29 VanDerWaalsContact C-N 3.32Å; F27-S29 PolarHBondContact O-N 2.95Å; S29-I31 PolarHBondContact O-N 3.32Å; S29-Y32 PolarHBondContact O-N 3.3Å; S29-V33 WeakPolarHBondContact O-CB 3.07Å; S29-V33 WeakPolarHBondContact O-CG2 3.19Å; S29-V33 PolarHBondContact O-N 2.83Å; S29-Q333 PolarHBondContact OG-NE2 3.38Å; S29-Q333 PolarHBondContact OG-OE1 3.06Å; S29-Q333 VanDerWaalsContact OG-OE1 3.12Å
30I98.3Very high94.8Very high27 Ų2760.6 Ų60.614%0.13829%0.289CS..Hα-helixtrans-62.6-46.6-179.2-70167.3000110.6H26 F27 V33 R34 A329 I332 Q333H26-I30 WeakPolarHBondContact O-CB 3.36Å; H26-I30 VanDerWaalsContact O-CG1 3.29Å; H26-I30 WeakPolarHBondContact O-CG1 3.36Å; H26-I30 PolarHBondContact O-N 3.41Å; F27-I30 PolarHBondContact O-N 3.5Å; I30-V33 PolarHBondContact O-N 2.83Å; I30-R34 WeakPolarHBondContact O-CG 3.08Å; I30-R34 PolarHBondContact O-N 2.83Å; I30-A329 HydrophobicContact CD1-CB 4.24Å; I30-I332 HydrophobicContact CD1-CG2 4.37Å; I30-I332 HydrophobicContact CG2-CG2 3.87Å; I30-Q333 VanDerWaalsContact CA-OE1 3.23Å; I30-Q333 HydrophobicContact CG1-CB 4.06Å; I30-Q333 VanDerWaalsContact CG1-OE1 3.26Å
31I97.8Very high93.2Very high96 Ų9663.6 Ų63.649%0.49229%0.288SS..Hα-helixtrans-60.7-48.6177.9-69.3167.2000109.7F27 S29 V33 R34 L35F27-I31 HydrophobicContact CB-CD1 4.43Å; F27-I31 VanDerWaalsContact O-CB 3.24Å; F27-I31 WeakPolarHBondContact O-CB 3.46Å; F27-I31 WeakPolarHBondContact O-CD1 3.41Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.74Å; S29-I31 PolarHBondContact O-N 3.32Å; I31-V33 PolarHBondContact O-N 3.06Å; I31-R34 PolarHBondContact O-N 3.41Å; I31-L35 HydrophobicContact CG2-CD1 3.54Å; I31-L35 HydrophobicContact CG2-CG 4.15Å; I31-L35 WeakPolarHBondContact O-CB 3.27Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.33Å; I31-L35 PolarHBondContact O-N 2.98Å
32Y96.8Very high91.2Very high32 Ų3265.5 Ų65.513%0.12530%0.304CS..Hα-helixtrans-59.7-46179.8-175.1-82.7000111.8M28 S29 R34 L35 H36 I199 N202 V203 M253M28-Y32 WeakPolarHBondContact O-CB 3.38Å; M28-Y32 PolarHBondContact O-N 2.8Å; S29-Y32 PolarHBondContact O-N 3.3Å; Y32-R34 VanDerWaalsContact C-N 3.34Å; Y32-R34 PolarHBondContact O-N 3Å; Y32-L35 PolarHBondContact O-N 3.17Å; Y32-H36 HydrophobicContact CD1-CB 4.28Å; Y32-H36 AromaticContact CD2-CD2 3.46Å; Y32-H36 VanDerWaalsContact CD2-CD2 3.46Å; Y32-H36 WeakPolarHBondContact CD2-CD2 3.44Å; Y32-H36 HydrophobicContact CE1-CB 3.97Å; Y32-H36 HydrophobicContact CE2-CB 4.45Å; Y32-H36 AromaticContact CE2-CD2 3.59Å; Y32-H36 AromaticContact CG-CD2 3.85Å; Y32-H36 WeakPolarHBondContact O-CB 3.5Å; Y32-H36 PolarHBondContact O-CD2 3Å; Y32-H36 PolarHBondContact O-N 2.86Å; Y32-I199 HydrophobicContact CD1-CD1 4.26Å; Y32-I199 HydrophobicContact CD1-CG1 4.42Å; Y32-I199 HydrophobicContact CD1-CG2 3.49Å; Y32-I199 VanDerWaalsContact CD1-CG2 3.49Å; Y32-I199 HydrophobicContact CD2-CG2 4.23Å; Y32-I199 HydrophobicContact CE1-CG2 4.27Å; Y32-I199 HydrophobicContact CG-CG2 3.48Å; Y32-I199 VanDerWaalsContact CG-CG2 3.48Å; Y32-N202 PolarHBondContact OH-ND2 3.3Å; Y32-V203 HydrophobicContact CD2-CG2 3.6Å; Y32-V203 HydrophobicContact CE2-CG2 4.15Å; Y32-V203 HydrophobicContact CG-CG2 4.26Å; Y32-M253 HydrophobicContact CE1-CE 4.46Å; Y32-M253 HydrophobicContact CE1-SD 3.9Å
33V96.9Very high89.2Confident2 Ų271.7 Ų71.71%0.01233%0.333CS..Hα-helixtrans-56.8-48.1176.2164.90000111.1S29 I30 I31 L35 L37 I199 Q333 V337S29-V33 WeakPolarHBondContact O-CB 3.07Å; S29-V33 WeakPolarHBondContact O-CG2 3.19Å; S29-V33 PolarHBondContact O-N 2.83Å; I30-V33 PolarHBondContact O-N 2.83Å; I31-V33 PolarHBondContact O-N 3.06Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 2.84Å; V33-L37 HydrophobicContact CB-CD1 4.27Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 HydrophobicContact CG2-CD1 3.76Å; V33-L37 HydrophobicContact CG2-CG 4.42Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 PolarHBondContact O-N 3.22Å; V33-L37 VanDerWaalsContact O-N 3.13Å; V33-I199 HydrophobicContact CG2-CD1 3.42Å; V33-I199 VanDerWaalsContact CG2-CD1 3.42Å; V33-Q333 VanDerWaalsContact CG2-NE2 3.34Å; V33-V337 HydrophobicContact CG1-CG2 4.29Å; V33-V337 HydrophobicContact CG2-CG2 3.86Å
34R95.2Very high87Confident111 Ų11175.4 Ų75.442%0.41936%0.359SS..Hα-helixtrans-68.6-29.3-178.7-68.3-56.5-169.1-79.514.9113.3I30 I31 Y32 I332 T335I30-R34 WeakPolarHBondContact O-CG 3.08Å; I30-R34 PolarHBondContact O-N 2.83Å; I31-R34 PolarHBondContact O-N 3.41Å; Y32-R34 VanDerWaalsContact C-N 3.34Å; Y32-R34 PolarHBondContact O-N 3Å; R34-I332 VanDerWaalsContact CZ-O 3.31Å; R34-I332 PolarHBondContact NH1-O 2.92Å; R34-I332 PolarHBondContact NH2-O 3.33Å; R34-T335 PolarHBondContact NH2-OG1 3.5Å
35L94.3Very high85Confident77 Ų7779.2 Ų79.240%0.40337%0.371SS..Hα-helixtrans-90.7-26.9-178.3-67.8-178.4000114I31 Y32 V33 R39I31-L35 HydrophobicContact CG2-CD1 3.54Å; I31-L35 HydrophobicContact CG2-CG 4.15Å; I31-L35 WeakPolarHBondContact O-CB 3.27Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.33Å; I31-L35 PolarHBondContact O-N 2.98Å; Y32-L35 PolarHBondContact O-N 3.17Å; V33-L35 VanDerWaalsContact C-N 3.31Å; V33-L35 PolarHBondContact O-N 2.84Å; L35-R39 WeakPolarHBondContact O-CD 3.47Å; L35-R39 PolarHBondContact O-NE 3.04Å; L35-R39 PolarHBondContact O-NH1 3.14Å
36H93.5Very high83.1Confident74 Ų7482 Ų8234%0.34338%0.384SS..Hα-helixtrans-123.7-37.6-168.2-63-70000114.5Y32 T255Y32-H36 HydrophobicContact CD1-CB 4.28Å; Y32-H36 AromaticContact CD2-CD2 3.46Å; Y32-H36 VanDerWaalsContact CD2-CD2 3.46Å; Y32-H36 WeakPolarHBondContact CD2-CD2 3.44Å; Y32-H36 HydrophobicContact CE1-CB 3.97Å; Y32-H36 HydrophobicContact CE2-CB 4.45Å; Y32-H36 AromaticContact CE2-CD2 3.59Å; Y32-H36 AromaticContact CG-CD2 3.85Å; Y32-H36 WeakPolarHBondContact O-CB 3.5Å; Y32-H36 PolarHBondContact O-CD2 3Å; Y32-H36 PolarHBondContact O-N 2.86Å; H36-T255 VanDerWaalsContact O-CB 3.29Å; H36-T255 WeakPolarHBondContact O-CB 3.48Å; H36-T255 WeakPolarHBondContact O-CG2 3.41Å
37L93.9Very high81.3Confident7 Ų785.7 Ų85.74%0.03741%0.408CS..THydrogen-bonded Turntrans-72.4150.6-179.6-67.1-172.8000111.4V33 R39 L172 T255 V257 V337V33-L37 HydrophobicContact CB-CD1 4.27Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 HydrophobicContact CG2-CD1 3.76Å; V33-L37 HydrophobicContact CG2-CG 4.42Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 PolarHBondContact O-N 3.22Å; V33-L37 VanDerWaalsContact O-N 3.13Å; L37-R39 PolarHBondContact O-N 3.35Å; L37-L172 HydrophobicContact CD1-CD2 3.64Å; L37-T255 WeakPolarHBondContact CA-O 3.4Å; L37-T255 WeakPolarHBondContact CD2-O 3.46Å; L37-V257 HydrophobicContact CD1-CG1 4.45Å; L37-V337 HydrophobicContact CD1-CG2 4.39Å
38H90.8Very high79.7Confident72 Ų7286.6 Ų86.633%0.33341%0.412SS..THydrogen-bonded Turntrans60.36179.4-51.2-66.9000115.4K40 T255 G336 V337 G339H38-K40 PolarHBondContact O-N 3.06Å; H38-T255 PolarHBondContact N-O 3.42Å; H38-G336 PolarHBondContact CD2-O 3.33Å; H38-G336 PolarHBondContact NE2-O 3.37Å; H38-V337 PolarHBondContact CE1-O 2.97Å; H38-V337 VanDerWaalsContact CE1-O 3.28Å; H38-V337 PolarHBondContact NE2-O 3.42Å; H38-G339 WeakPolarHBondContact NE2-CA 3.37Å; H38-G339 PolarHBondContact NE2-N 3.05Å
39R85.4Confident77.9Confident138 Ų13889 Ų8952%0.52144%0.438SS..  trans-77.8120.2173.2-73.7-161.3171.6171.4-9.8110.1L35 L37 R41 T255L35-R39 WeakPolarHBondContact O-CD 3.47Å; L35-R39 PolarHBondContact O-NE 3.04Å; L35-R39 PolarHBondContact O-NH1 3.14Å; L37-R39 PolarHBondContact O-N 3.35Å; R39-R41 PolarHBondContact O-N 3.04Å; R39-T255 PolarHBondContact O-OG1 2.82Å; R39-T255 VanDerWaalsContact O-OG1 3.05Å
40K71.1Confident76.8Confident183 Ų18394.7 Ų94.780%0.79646%0.464SS*.  trans-70.4107.9159.4-69-170.1174.8-168.70107.5H38H38-K40 PolarHBondContact O-N 3.06Å
41R65Low76Confident121 Ų12194.5 Ų94.546%0.45746%0.464SS..  trans-65.3140.7165-80.6-170.8177.5162.98.6107.8R39 E43 Q161R39-R41 PolarHBondContact O-N 3.04Å; R41-E43 PolarHBondContact O-N 3.49Å; R41-E43 VanDerWaalsContact O-N 3.16Å; R41-Q161 VanDerWaalsContact CZ-NE2 3.33Å; R41-Q161 VanDerWaalsContact NH1-CD 3.33Å; R41-Q161 VanDerWaalsContact NH1-NE2 3.2Å; R41-Q161 VanDerWaalsContact NH2-OE1 3.17Å
42S53.9Low75.6Confident110 Ų11093.3 Ų93.377%0.76946%0.459SS*.  trans-52.1124.3176.7-1500000108.5V44S42-V44 VanDerWaalsContact C-N 3.29Å; S42-V44 PolarHBondContact O-N 2.95Å
43E56.2Low75.5Confident134 Ų13492.5 Ų92.563%0.62646%0.46SS*.  trans-61.594.7173.1-73.9175.4-169.800107.8R41 K45R41-E43 PolarHBondContact O-N 3.49Å; R41-E43 VanDerWaalsContact O-N 3.16Å; E43-K45 PolarHBondContact O-N 3.5Å
44V51.9Low75.6Confident110 Ų11092.4 Ų92.467%0.66746%0.459SS*.  trans-70.298.7158.8-1780000103.8S42 Q46S42-V44 VanDerWaalsContact C-N 3.29Å; S42-V44 PolarHBondContact O-N 2.95Å; V44-Q46 HydrophobicContact CG1-CG 4.46Å; V44-Q46 PolarHBondContact O-N 3.43Å
45K55Low75.7Confident179 Ų17987.1 Ų87.178%0.77844%0.439SS*.  trans-59.491.4172.6-74.2-172.4177.8-176.30107.7E43E43-K45 PolarHBondContact O-N 3.5Å
46Q59.1Low75.9Confident93 Ų9383.5 Ų83.544%0.43542%0.42SS..  trans-70.5137.6174-67.4-164.87.800107.9V44 F48 Q50 V51V44-Q46 HydrophobicContact CG1-CG 4.46Å; V44-Q46 PolarHBondContact O-N 3.43Å; Q46-F48 PolarHBondContact O-N 3.27Å; Q46-Q50 HydrophobicContact CB-CB 4.33Å; Q46-Q50 PolarHBondContact OE1-O 2.94Å; Q46-V51 HydrophobicContact CB-CG2 4.41Å
47P60.3Low76.1Confident78 Ų7880 Ų8051%0.50640%0.404SS..  trans-49.1140.7168.8-24.432.1000110.3A49 Q50 V51P47-A49 PolarHBondContact O-N 2.94Å; P47-Q50 PolarHBondContact O-N 3.17Å; P47-V51 PolarHBondContact O-N 2.9Å
48F62.5Low76.3Confident136 Ų13679.7 Ų79.760%0.59640%0.402SS*.THydrogen-bonded Turntrans-50-33.5-178.2178.4-89.7000113Q46 Q50 V51 P80 K81Q46-F48 PolarHBondContact O-N 3.27Å; F48-Q50 VanDerWaalsContact C-N 3.29Å; F48-Q50 PolarHBondContact O-N 2.98Å; F48-V51 PolarHBondContact O-N 3.28Å; F48-P80 HydrophobicContact CD2-CB 3.93Å; F48-P80 HydrophobicContact CD2-CG 4.35Å; F48-P80 HydrophobicContact CE2-CB 3.71Å; F48-P80 HydrophobicContact CE2-CG 4.48Å; F48-K81 VanDerWaalsContact CE1-CE 3.49Å; F48-K81 HydrophobicContact CE2-CG 4.19Å; F48-K81 HydrophobicContact CZ-CD 4.46Å; F48-K81 HydrophobicContact CZ-CG 4.05Å; F48-K81 WeakPolarHBondContact O-CE 3.49Å; F48-K81 PolarHBondContact O-NZ 2.94Å
49A61.3Low76.5Confident89 Ų8976.2 Ų76.274%0.73639%0.386SS*.THydrogen-bonded Turntrans-60.4-33.8175.900000113.7P47P47-A49 PolarHBondContact O-N 2.94Å
50Q73.5Confident77Confident119 Ų11969.8 Ų69.856%0.55636%0.362SS*.THydrogen-bonded Turntrans-88.6-14.9-177.6-66.4179.2-7.800113.3Q46 P47 F48 L52Q46-Q50 HydrophobicContact CB-CB 4.33Å; Q46-Q50 PolarHBondContact OE1-O 2.94Å; P47-Q50 PolarHBondContact O-N 3.17Å; F48-Q50 VanDerWaalsContact C-N 3.29Å; F48-Q50 PolarHBondContact O-N 2.98Å; Q50-L52 PolarHBondContact O-N 3.32Å
51V82.2Confident78.1Confident23 Ų2363.7 Ų63.714%0.13934%0.336CS..SBendtrans-63.8125.7176.9-176.60000110.1Q46 P47 F48 Y79 P80 K81Q46-V51 HydrophobicContact CB-CG2 4.41Å; P47-V51 PolarHBondContact O-N 2.9Å; F48-V51 PolarHBondContact O-N 3.28Å; V51-Y79 HydrophobicContact CG1-CE1 3.96Å; V51-Y79 HydrophobicContact CG1-CE2 4.07Å; V51-Y79 VanDerWaalsContact CG1-CZ 3.5Å; V51-Y79 WeakPolarHBondContact CG1-OH 3.41Å; V51-P80 HydrophobicContact CB-CG 4.4Å; V51-P80 HydrophobicContact CG1-CG 3.85Å; V51-P80 HydrophobicContact CG2-CG 4.36Å; V51-K81 WeakPolarHBondContact O-CD 3.36Å; V51-K81 PolarHBondContact O-NZ 2.81Å
52L88.6Confident79.3Confident72 Ų7259.1 Ų59.138%0.37733%0.327SS..PPolyproline II helixtrans-70126.5179.6-61.8173.4000109.9Q50 Y79 L140Q50-L52 PolarHBondContact O-N 3.32Å; L52-Y79 VanDerWaalsContact O-CE1 3.3Å; L52-Y79 WeakPolarHBondContact O-CE1 3.48Å; L52-Y79 PolarHBondContact O-OH 3.47Å; L52-L140 HydrophobicContact CB-CD1 3.83Å; L52-L140 HydrophobicContact CD1-CD1 3.92Å; L52-L140 HydrophobicContact CG-CD1 4.44Å
53G95.3Very high81.1Confident14 Ų1457.8 Ų57.814%0.14431%0.314CS..PPolyproline II helixtrans-73.2145.5172.100000111.8K81 Y138G53-K81 CarbonylContact C-O 3.59Å; G53-K81 WeakPolarHBondContact CA-O 3.32Å; G53-Y138 VanDerWaalsContact C-CG 3.44Å; G53-Y138 VanDerWaalsContact CA-CD1 3.5Å; G53-Y138 VanDerWaalsContact O-CB 3.32Å; G53-Y138 WeakPolarHBondContact O-CB 3.28Å
54V97.9Very high82.8Confident0 Ų053 Ų530%029%0.292CS..EExtended strand (participates in β ladder)trans-132.3128.9-179.6-176.30000111.3Y79 K81 V82 S83 Y138 L140 W142 L155 T159 L215V54-Y79 HydrophobicContact CG2-CE1 4.35Å; V54-K81 PolarHBondContact N-O 3.09Å; V54-V82 WeakPolarHBondContact O-CA 3.31Å; V54-S83 PolarHBondContact O-N 3.37Å; V54-Y138 WeakPolarHBondContact O-CD2 3.25Å; V54-L140 HydrophobicContact CG1-CB 4.49Å; V54-L140 HydrophobicContact CG2-CB 4.08Å; V54-L140 HydrophobicContact CG2-CD1 4.08Å; V54-W142 HydrophobicContact CG1-CB 3.74Å; V54-L155 HydrophobicContact CB-CD1 4.31Å; V54-L155 HydrophobicContact CB-CD2 4.2Å; V54-L155 HydrophobicContact CG1-CD1 4.12Å; V54-L155 HydrophobicContact CG2-CD1 4.04Å; V54-L155 HydrophobicContact CG2-CD2 4.37Å; V54-L155 HydrophobicContact CG2-CG 4.45Å; V54-T159 HydrophobicContact CG2-CG2 3.91Å; V54-L215 HydrophobicContact CG1-CD1 3.61Å; V54-L215 HydrophobicContact CG2-CD1 4.15Å
55S98.5Very high84.8Confident0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-94.2109.8167.5-69.10000109.4L57 S83 K137 Y138 L140 V141 W142S55-L57 WeakPolarHBondContact O-CD1 3.43Å; S55-S83 CarbonylContact C-O 3.58Å; S55-S83 WeakPolarHBondContact CA-O 3.38Å; S55-K137 PolarHBondContact OG-N 3.42Å; S55-Y138 PolarHBondContact OG-N 2.76Å; S55-L140 PolarHBondContact N-O 2.71Å; S55-V141 CarbonylContact O-C 3.58Å; S55-V141 WeakPolarHBondContact O-CA 3.48Å; S55-W142 PolarHBondContact O-N 3.18Å
56L98.3Very high86.7Confident1 Ų145.9 Ų45.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-81.2123.9174.6164.269.4000109.2F74 V82 S83 A84 L85 W142 C144L56-F74 HydrophobicContact CD1-CD1 4Å; L56-F74 HydrophobicContact CD1-CE1 4.11Å; L56-F74 HydrophobicContact CD2-CB 3.71Å; L56-F74 HydrophobicContact CD2-CD1 3.38Å; L56-F74 HydrophobicContact CD2-CE1 4.3Å; L56-F74 HydrophobicContact CD2-CG 3.79Å; L56-F74 HydrophobicContact CG-CD1 4.35Å; L56-V82 HydrophobicContact CB-CG2 4.38Å; L56-S83 PolarHBondContact N-O 3.49Å; L56-A84 HydrophobicContact CD2-CB 4Å; L56-L85 WeakPolarHBondContact O-CA 3.33Å; L56-L85 WeakPolarHBondContact O-CB 3.31Å; L56-L85 PolarHBondContact O-N 2.94Å; L56-W142 CarbonylContact C-O 3.49Å; L56-W142 WeakPolarHBondContact CA-O 3.35Å; L56-W142 HydrophobicContact CB-CE3 4.35Å; L56-W142 HydrophobicContact CD1-CB 4.46Å; L56-W142 HydrophobicContact CD1-CD2 3.87Å; L56-W142 HydrophobicContact CD1-CE3 3.71Å; L56-W142 HydrophobicContact CD1-CG 4.21Å; L56-W142 HydrophobicContact CD1-CZ3 4.29Å; L56-W142 HydrophobicContact CG-CE3 4.47Å; L56-C144 HydrophobicContact CD1-CB 3.96Å
57L98.2Very high88.5Confident0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-108.5117.6175.3-8366.3000108.8S55 P59 L85 L129 Y133 V141 W142 I143 C144 L227S55-L57 WeakPolarHBondContact O-CD1 3.43Å; L57-P59 WeakPolarHBondContact O-CD 3.47Å; L57-L85 HydrophobicContact CD1-CD1 3.91Å; L57-L129 HydrophobicContact CB-CD2 3.92Å; L57-L129 HydrophobicContact CD2-CD2 4.42Å; L57-Y133 HydrophobicContact CD2-CD2 4.03Å; L57-Y133 HydrophobicContact CD2-CG 4.48Å; L57-V141 HydrophobicContact CD1-CG1 3.73Å; L57-V141 HydrophobicContact CD2-CG1 3.96Å; L57-V141 HydrophobicContact CG-CG1 4.36Å; L57-W142 PolarHBondContact N-O 3.16Å; L57-I143 HydrophobicContact CB-CG1 4.24Å; L57-I143 HydrophobicContact CD2-CG1 4.5Å; L57-C144 PolarHBondContact O-N 3.49Å; L57-L227 HydrophobicContact CD2-CD1 4.48Å
58K97.1Very high90.2Very high1 Ų141.3 Ų41.30%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-114.799.6-176-159.785.5-164.9174.20110.1L60 L71 F74 L85 L86 C87 C144 D145K58-L60 HydrophobicContact CG-CD2 3.77Å; K58-L60 HydrophobicContact CG-CG 4.44Å; K58-L60 PolarHBondContact O-N 3.17Å; K58-L71 HydrophobicContact CD-CD2 3.95Å; K58-L71 HydrophobicContact CG-CD2 3.64Å; K58-F74 HydrophobicContact CD-CE2 4.41Å; K58-L85 PolarHBondContact N-O 3.28Å; K58-L86 HydrophobicContact CB-CD2 3.8Å; K58-L86 HydrophobicContact CG-CD2 4.19Å; K58-C87 PolarHBondContact O-N 2.96Å; K58-C144 VanDerWaalsContact CD-O 3.25Å; K58-C144 WeakPolarHBondContact CD-O 3.39Å; K58-C144 WeakPolarHBondContact CE-O 3.14Å; K58-C144 PolarHBondContact NZ-O 3.23Å; K58-C144 PolarHBondContact NZ-SG 3.12Å; K58-D145 VanDerWaalsContact CE-O 3.26Å; K58-D145 WeakPolarHBondContact CE-O 3.24Å; K58-D145 PolarHBondContact NZ-O 2.91Å
59P95.8Very high91.8Very high0 Ų036.6 Ų36.60%022%0.222CC..EExtended strand (participates in β ladder)trans-77.1121.9176.127.8-26000110.4L57 K125 L129 C144L57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-K125 HydrophobicContact CB-CG 4.05Å; P59-K125 HydrophobicContact CG-CD 4.29Å; P59-K125 HydrophobicContact CG-CG 4.09Å; P59-L129 HydrophobicContact CB-CD1 4.42Å; P59-L129 HydrophobicContact CB-CD2 3.66Å; P59-L129 HydrophobicContact CB-CG 3.95Å; P59-L129 HydrophobicContact CG-CD1 4.33Å; P59-L129 HydrophobicContact CG-CD2 3.94Å; P59-L129 HydrophobicContact CG-CG 4.33Å; P59-C144 WeakPolarHBondContact CD-O 3.38Å
60L96.1Very high93.6Very high2 Ų232.4 Ų32.41%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-115.6146.5-178.2-53.8178.8000111K58 L67 L71 L86 C87 V88 A95 C99 N128K58-L60 HydrophobicContact CG-CD2 3.77Å; K58-L60 HydrophobicContact CG-CG 4.44Å; K58-L60 PolarHBondContact O-N 3.17Å; L60-L67 HydrophobicContact CD2-CD1 4.35Å; L60-L71 HydrophobicContact CD1-CD1 4.25Å; L60-L71 HydrophobicContact CD2-CD1 4.18Å; L60-L71 HydrophobicContact CD2-CD2 3.91Å; L60-L86 HydrophobicContact CD1-CB 4.21Å; L60-C87 WeakPolarHBondContact CB-O 3.48Å; L60-C87 PolarHBondContact N-O 3.23Å; L60-V88 HydrophobicContact CB-CG2 4.02Å; L60-V88 HydrophobicContact CD1-CG2 4.08Å; L60-A95 HydrophobicContact CB-CB 4Å; L60-A95 HydrophobicContact CD1-CB 4.47Å; L60-C99 WeakPolarHBondContact CD1-SG 3.44Å; L60-N128 PolarHBondContact N-ND2 2.93Å; L60-N128 PolarHBondContact O-ND2 3.35Å
61K92.6Very high94.7Very high55 Ų5526.8 Ų26.824%0.23916%0.161CC..  trans-163.1123.8172.1-174.4174.6-169.8136.90109.4D93 R376 T377K61-D93 WeakPolarHBondContact CA-OD2 3.36Å; K61-R376 HydrophobicContact CD-CB 4.07Å; K61-R376 HydrophobicContact CD-CG 4.12Å; K61-T377 PolarHBondContact NZ-OG1 2.94Å
62G91.9Very high95.4Very high26 Ų2628 Ų2827%0.26817%0.165SC..SBendtrans62-173.6-17600000113.1D93G62-D93 WeakPolarHBondContact CA-OD1 3.37Å; G62-D93 VanDerWaalsContact N-CG 3.31Å; G62-D93 PolarHBondContact N-OD1 3.16Å; G62-D93 PolarHBondContact N-OD2 2.65Å
63V90.3Very high95.9Very high82 Ų8225.2 Ų25.250%0.49715%0.15SC..  trans-121130.7179.5175.60000110.4L67 P94 V98V63-L67 HydrophobicContact CB-CD2 4.44Å; V63-L67 HydrophobicContact CG1-CD2 4.47Å; V63-L67 HydrophobicContact CG2-CD2 4.09Å; V63-P94 HydrophobicContact CG2-CB 3.64Å; V63-P94 HydrophobicContact CG2-CG 3.84Å; V63-V98 HydrophobicContact CG2-CG2 4.41Å
64D92Very high96Very high34 Ų3424.9 Ų24.918%0.18215%0.145CC..  trans-100.9149.4165.4172.5-83.9000108.3N66 L67 S262 G263D64-N66 PolarHBondContact O-N 3.4Å; D64-N66 WeakPolarHBondContact OD1-CA 3.33Å; D64-N66 WeakPolarHBondContact OD1-CB 3.38Å; D64-N66 PolarHBondContact OD1-N 3.13Å; D64-L67 HydrophobicContact CB-CB 4.43Å; D64-L67 VanDerWaalsContact O-CB 3.25Å; D64-L67 WeakPolarHBondContact O-CB 3.37Å; D64-L67 PolarHBondContact O-N 2.91Å; D64-S262 PolarHBondContact OD2-OG 2.81Å; D64-G263 VanDerWaalsContact CG-N 3.33Å; D64-G263 PolarHBondContact OD1-N 2.98Å; D64-G263 PolarHBondContact OD2-N 3.45Å
65P93.5Very high96Very high94 Ų9425.4 Ų25.461%0.6115%0.147SC*.THydrogen-bonded Turntrans-53.2-30179.9-27.434.6000114.4
66N95.9Very high95.9Very high45 Ų4528.5 Ų28.524%0.24117%0.166CC..THydrogen-bonded Turntrans-99.28.1179.6-68.7-19.9000113.6D64 I68 S69 N70 N261D64-N66 PolarHBondContact O-N 3.4Å; D64-N66 WeakPolarHBondContact OD1-CA 3.33Å; D64-N66 WeakPolarHBondContact OD1-CB 3.38Å; D64-N66 PolarHBondContact OD1-N 3.13Å; N66-I68 PolarHBondContact O-N 3.18Å; N66-S69 PolarHBondContact O-N 2.89Å; N66-S69 PolarHBondContact O-OG 2.68Å; N66-S69 VanDerWaalsContact O-OG 3.07Å; N66-N70 WeakPolarHBondContact O-CB 3.32Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 3.07Å; N66-N261 VanDerWaalsContact CB-O 3.28Å; N66-N261 WeakPolarHBondContact CB-O 3.31Å; N66-N261 PolarHBondContact ND2-O 2.86Å; N66-N261 PolarHBondContact ND2-OD1 3.49Å
67L96.1Very high95.7Very high5 Ų529.4 Ų29.43%0.02617%0.171CC..Hα-helixtrans-57.3-48-175.3-179.963.7000112.4L60 V63 D64 S69 N70 L71 A95 V98L60-L67 HydrophobicContact CD2-CD1 4.35Å; V63-L67 HydrophobicContact CB-CD2 4.44Å; V63-L67 HydrophobicContact CG1-CD2 4.47Å; V63-L67 HydrophobicContact CG2-CD2 4.09Å; D64-L67 HydrophobicContact CB-CB 4.43Å; D64-L67 VanDerWaalsContact O-CB 3.25Å; D64-L67 WeakPolarHBondContact O-CB 3.37Å; D64-L67 PolarHBondContact O-N 2.91Å; L67-S69 PolarHBondContact O-N 2.95Å; L67-N70 PolarHBondContact O-N 3.18Å; L67-L71 HydrophobicContact CD1-CD1 3.79Å; L67-L71 HydrophobicContact CD1-CG 3.93Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.35Å; L67-L71 WeakPolarHBondContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.81Å; L67-A95 HydrophobicContact CD2-CB 4.23Å; L67-V98 HydrophobicContact CD2-CB 4.48Å; L67-V98 HydrophobicContact CD2-CG1 4.32Å; L67-V98 HydrophobicContact CD2-CG2 4.37Å; L67-V98 HydrophobicContact CG-CG1 4.3Å
68I96.9Very high95.5Very high70 Ų7035.2 Ų35.236%0.35920%0.202SC..Hα-helixtrans-59.6-49.8179.8-65.2169000110.3N66 N70 L71 E72 V98N66-I68 PolarHBondContact O-N 3.18Å; I68-N70 VanDerWaalsContact C-N 3.3Å; I68-N70 PolarHBondContact O-N 2.96Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-E72 VanDerWaalsContact O-CB 3.28Å; I68-E72 WeakPolarHBondContact O-CB 3.42Å; I68-E72 PolarHBondContact O-N 3.46Å; I68-V98 HydrophobicContact CB-CG1 4.44Å; I68-V98 HydrophobicContact CD1-CG2 4.22Å; I68-V98 HydrophobicContact CG1-CB 4.27Å; I68-V98 HydrophobicContact CG1-CG1 3.6Å; I68-V98 HydrophobicContact CG1-CG2 3.79Å
69S96.8Very high95.3Very high37 Ų3736.1 Ų36.126%0.25921%0.206SC..Hα-helixtrans-69.1-29-175.870.10000112.6N66 L67N66-S69 PolarHBondContact O-N 2.89Å; N66-S69 PolarHBondContact O-OG 2.68Å; N66-S69 VanDerWaalsContact O-OG 3.07Å; L67-S69 PolarHBondContact O-N 2.95Å
70N97.3Very high95Very high1 Ų139.8 Ų39.81%0.00523%0.23CC..Hα-helixtrans-72-48.2172.1-68.4-18.2000111N66 L67 I68 E72 T73 F74 N261N66-N70 WeakPolarHBondContact O-CB 3.32Å; N66-N70 PolarHBondContact O-N 3.12Å; N66-N70 PolarHBondContact O-ND2 3.07Å; L67-N70 PolarHBondContact O-N 3.18Å; I68-N70 VanDerWaalsContact C-N 3.3Å; I68-N70 PolarHBondContact O-N 2.96Å; N70-E72 VanDerWaalsContact C-N 3.35Å; N70-E72 PolarHBondContact O-N 3.13Å; N70-T73 PolarHBondContact O-N 3.36Å; N70-T73 PolarHBondContact O-OG1 2.89Å; N70-F74 WeakPolarHBondContact O-CD2 3.37Å; N70-F74 WeakPolarHBondContact O-CE2 3.46Å; N70-N261 PolarHBondContact ND2-O 2.79Å; N70-N261 WeakPolarHBondContact OD1-CB 3.26Å; N70-N261 PolarHBondContact OD1-ND2 2.92Å
71L97.6Very high94.9Very high1 Ų141.5 Ų41.51%0.00524%0.237CC..Hα-helixtrans-64.6-39.1-179.4-71.6179.2000112.7K58 L60 L67 I68 T73 F74 F75 V98 L102K58-L71 HydrophobicContact CD-CD2 3.95Å; K58-L71 HydrophobicContact CG-CD2 3.64Å; L60-L71 HydrophobicContact CD1-CD1 4.25Å; L60-L71 HydrophobicContact CD2-CD1 4.18Å; L60-L71 HydrophobicContact CD2-CD2 3.91Å; L67-L71 HydrophobicContact CD1-CD1 3.79Å; L67-L71 HydrophobicContact CD1-CG 3.93Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.35Å; L67-L71 WeakPolarHBondContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.81Å; I68-L71 PolarHBondContact O-N 2.88Å; L71-T73 PolarHBondContact O-N 3.16Å; L71-T73 VanDerWaalsContact O-N 3.16Å; L71-F74 WeakPolarHBondContact O-CB 3.49Å; L71-F74 PolarHBondContact O-N 2.84Å; L71-F75 WeakPolarHBondContact O-CD2 3.49Å; L71-V98 HydrophobicContact CD1-CG1 3.82Å; L71-L102 HydrophobicContact CB-CD1 3.41Å; L71-L102 VanDerWaalsContact CB-CD1 3.41Å; L71-L102 HydrophobicContact CD1-CD1 4.24Å; L71-L102 HydrophobicContact CG-CD1 4.48Å
72E97.8Very high95.1Very high48 Ų4839.9 Ų39.922%0.22423%0.232CC..Hα-helixtrans-55.3-32.6177.2-175.1167.4-144.700112.7I68 N70 F74 F75 T76 L102 K105 Y106I68-E72 VanDerWaalsContact O-CB 3.28Å; I68-E72 WeakPolarHBondContact O-CB 3.42Å; I68-E72 PolarHBondContact O-N 3.46Å; N70-E72 VanDerWaalsContact C-N 3.35Å; N70-E72 PolarHBondContact O-N 3.13Å; E72-F74 PolarHBondContact O-N 2.9Å; E72-F74 VanDerWaalsContact O-N 3.16Å; E72-F75 PolarHBondContact O-N 2.89Å; E72-T76 PolarHBondContact O-N 2.77Å; E72-T76 PolarHBondContact O-OG1 3.2Å; E72-L102 HydrophobicContact CB-CD2 4.03Å; E72-L102 HydrophobicContact CG-CD2 4.36Å; E72-K105 IonicContact OE1-NZ 3.75Å; E72-K105 PolarHBondContact OE1-NZ 3.47Å; E72-Y106 HydrophobicContact CG-CE2 4.05Å; E72-Y106 PolarHBondContact OE1-OH 3.4Å
73T97.9Very high95.3Very high13 Ų1338.7 Ų38.78%0.0822%0.219CC..Hα-helixtrans-63-21176.664.10000114.3N70 L71 R149 V150N70-T73 PolarHBondContact O-N 3.36Å; N70-T73 PolarHBondContact O-OG1 2.89Å; L71-T73 PolarHBondContact O-N 3.16Å; L71-T73 VanDerWaalsContact O-N 3.16Å; T73-R149 HydrophobicContact CG2-CG 3.74Å; T73-V150 WeakPolarHBondContact CB-O 3.38Å; T73-V150 WeakPolarHBondContact OG1-CG2 3.3Å; T73-V150 PolarHBondContact OG1-N 3.09Å
74F97.4Very high95.7Very high7 Ų734.9 Ų34.93%0.03120%0.197CC..Hα-helixtrans-84.3-22.6175.5-62.8-89.4000112.7L56 K58 N70 L71 E72 T76 L77 W142 C144 I148 V150L56-F74 HydrophobicContact CD1-CD1 4Å; L56-F74 HydrophobicContact CD1-CE1 4.11Å; L56-F74 HydrophobicContact CD2-CB 3.71Å; L56-F74 HydrophobicContact CD2-CD1 3.38Å; L56-F74 HydrophobicContact CD2-CE1 4.3Å; L56-F74 HydrophobicContact CD2-CG 3.79Å; L56-F74 HydrophobicContact CG-CD1 4.35Å; K58-F74 HydrophobicContact CD-CE2 4.41Å; N70-F74 WeakPolarHBondContact O-CD2 3.37Å; N70-F74 WeakPolarHBondContact O-CE2 3.46Å; L71-F74 WeakPolarHBondContact O-CB 3.49Å; L71-F74 PolarHBondContact O-N 2.84Å; E72-F74 PolarHBondContact O-N 2.9Å; E72-F74 VanDerWaalsContact O-N 3.16Å; F74-T76 VanDerWaalsContact C-N 3.35Å; F74-L77 HydrophobicContact CB-CD1 4.49Å; F74-L77 HydrophobicContact CD1-CD1 4.35Å; F74-L77 WeakPolarHBondContact O-CD1 3.37Å; F74-W142 AromaticContact CD1-CH2 3.97Å; F74-W142 HydrophobicContact CD1-CH2 3.97Å; F74-W142 AromaticContact CD1-CZ3 3.97Å; F74-W142 HydrophobicContact CD1-CZ3 3.97Å; F74-W142 AromaticContact CE1-CH2 3.52Å; F74-W142 HydrophobicContact CE1-CH2 3.52Å; F74-W142 AromaticContact CE1-CZ2 3.9Å; F74-W142 HydrophobicContact CE1-CZ2 3.9Å; F74-W142 AromaticContact CE1-CZ3 3.94Å; F74-W142 HydrophobicContact CE1-CZ3 3.94Å; F74-C144 HydrophobicContact CE1-CB 4.22Å; F74-C144 HydrophobicContact CZ-CB 4.42Å; F74-C144 VanDerWaalsContact CZ-SG 3.52Å; F74-I148 WeakPolarHBondContact CE2-O 3.27Å; F74-V150 HydrophobicContact CD1-CG2 3.98Å; F74-V150 HydrophobicContact CD2-CG2 4.35Å; F74-V150 HydrophobicContact CE1-CB 4.49Å; F74-V150 HydrophobicContact CE1-CG1 3.83Å; F74-V150 HydrophobicContact CE1-CG2 3.8Å; F74-V150 HydrophobicContact CE2-CG2 4.14Å; F74-V150 HydrophobicContact CG-CG2 4.27Å; F74-V150 HydrophobicContact CZ-CB 4.4Å; F74-V150 HydrophobicContact CZ-CG1 3.65Å; F74-V150 HydrophobicContact CZ-CG2 3.85Å
75F97.4Very high96Very high11 Ų1133.5 Ų33.55%0.04819%0.189CC..Hα-helixtrans-82.4-16.3174.4-74-94.7000112.6L71 E72 L86 L102 L103 Y106 V109 A111L71-F75 WeakPolarHBondContact O-CD2 3.49Å; E72-F75 PolarHBondContact O-N 2.89Å; F75-L86 HydrophobicContact CE2-CD1 4.31Å; F75-L86 HydrophobicContact CZ-CD1 3.98Å; F75-L102 HydrophobicContact CD2-CB 4.23Å; F75-L102 HydrophobicContact CD2-CD1 4.29Å; F75-L102 HydrophobicContact CE1-CB 4.42Å; F75-L102 HydrophobicContact CE2-CB 3.74Å; F75-L102 HydrophobicContact CE2-CD1 3.94Å; F75-L102 HydrophobicContact CE2-CG 4.4Å; F75-L102 HydrophobicContact CZ-CB 3.83Å; F75-L103 HydrophobicContact CE1-CD2 4.16Å; F75-L103 HydrophobicContact CZ-CD2 4.26Å; F75-Y106 HydrophobicContact CB-CD1 4.35Å; F75-Y106 HydrophobicContact CB-CD2 3.69Å; F75-Y106 HydrophobicContact CB-CE2 4.05Å; F75-Y106 HydrophobicContact CB-CG 3.86Å; F75-Y106 HydrophobicContact CD1-CD2 4Å; F75-Y106 HydrophobicContact CD1-CG 4.05Å; F75-Y106 AromaticContact CG-CD2 3.93Å; F75-Y106 HydrophobicContact CG-CD2 3.93Å; F75-Y106 HydrophobicContact CG-CG 4.26Å; F75-V109 HydrophobicContact CD1-CB 4Å; F75-V109 HydrophobicContact CD1-CG1 3.9Å; F75-V109 HydrophobicContact CD1-CG2 4.25Å; F75-V109 HydrophobicContact CE1-CG1 4.46Å; F75-V109 WeakPolarHBondContact O-CG2 3.4Å; F75-A111 HydrophobicContact CE1-CB 3.64Å; F75-A111 HydrophobicContact CZ-CB 4.1Å
76T96.4Very high96.2Very high65 Ų6529.2 Ų29.240%0.39916%0.161SC..THydrogen-bonded Turntrans-11119.4-179.858.80000112.9E72 F74 D78 Y106E72-T76 PolarHBondContact O-N 2.77Å; E72-T76 PolarHBondContact O-OG1 3.2Å; F74-T76 VanDerWaalsContact C-N 3.35Å; T76-D78 PolarHBondContact O-N 3.42Å; T76-Y106 HydrophobicContact CG2-CE1 3.99Å
77L95.8Very high96.3Very high20 Ų2027 Ų2711%0.10515%0.149CC..  trans-61.7134172.1-72.2170.3000110.3F74 Y79 W142 V150 L155F74-L77 HydrophobicContact CB-CD1 4.49Å; F74-L77 HydrophobicContact CD1-CD1 4.35Å; F74-L77 WeakPolarHBondContact O-CD1 3.37Å; L77-Y79 PolarHBondContact O-N 2.94Å; L77-Y79 VanDerWaalsContact O-N 3.09Å; L77-W142 HydrophobicContact CD1-CZ3 3.89Å; L77-V150 HydrophobicContact CD2-CG2 3.92Å; L77-L155 HydrophobicContact CD1-CD2 4.38Å
78D92.9Very high96.3Very high122 Ų12226.8 Ų26.865%0.65215%0.148SC*.  trans-87.268.3172-172.215.8000108.8T76 P152T76-D78 PolarHBondContact O-N 3.42Å; D78-P152 HydrophobicContact CB-CB 4.11Å; D78-P152 PolarHBondContact N-O 2.87Å
79Y93.1Very high96.1Very high21 Ų2126.6 Ų26.68%0.08215%0.146CC..  trans-143.7127-178.5-162.2-94.5000111.7V51 L52 V54 L77 K81 V82 L155 T159V51-Y79 HydrophobicContact CG1-CE1 3.96Å; V51-Y79 HydrophobicContact CG1-CE2 4.07Å; V51-Y79 VanDerWaalsContact CG1-CZ 3.5Å; V51-Y79 WeakPolarHBondContact CG1-OH 3.41Å; L52-Y79 VanDerWaalsContact O-CE1 3.3Å; L52-Y79 WeakPolarHBondContact O-CE1 3.48Å; L52-Y79 PolarHBondContact O-OH 3.47Å; V54-Y79 HydrophobicContact CG2-CE1 4.35Å; L77-Y79 PolarHBondContact O-N 2.94Å; L77-Y79 VanDerWaalsContact O-N 3.09Å; Y79-K81 HydrophobicContact CE1-CB 4.39Å; Y79-K81 PolarHBondContact O-N 3.45Å; Y79-V82 HydrophobicContact CD1-CB 4.21Å; Y79-L155 HydrophobicContact CD1-CD2 3.47Å; Y79-L155 VanDerWaalsContact CD1-CD2 3.47Å; Y79-L155 HydrophobicContact CD1-CG 4.02Å; Y79-L155 HydrophobicContact CD2-CB 4.1Å; Y79-L155 HydrophobicContact CD2-CD2 4.24Å; Y79-L155 HydrophobicContact CD2-CG 3.95Å; Y79-L155 HydrophobicContact CE1-CD2 4.02Å; Y79-L155 HydrophobicContact CE1-CG 4.3Å; Y79-L155 HydrophobicContact CE2-CG 4.23Å; Y79-L155 HydrophobicContact CG-CB 4.11Å; Y79-L155 HydrophobicContact CG-CD2 3.59Å; Y79-L155 HydrophobicContact CG-CG 3.82Å; Y79-T159 HydrophobicContact CE2-CG2 4.28Å
80P89.8Confident95.9Very high77 Ų7728.6 Ų28.650%0.515%0.154SC..SBendtrans-79.8-20.7-164.929.6-36.6000115.2F48 V51F48-P80 HydrophobicContact CD2-CB 3.93Å; F48-P80 HydrophobicContact CD2-CG 4.35Å; F48-P80 HydrophobicContact CE2-CB 3.71Å; F48-P80 HydrophobicContact CE2-CG 4.48Å; V51-P80 HydrophobicContact CB-CG 4.4Å; V51-P80 HydrophobicContact CG1-CG 3.85Å; V51-P80 HydrophobicContact CG2-CG 4.36Å
81K93.6Very high95.8Very high37 Ų3735.6 Ų35.616%0.16119%0.186CC..SBendtrans-128.666.1-176-64.4-174-170165.20111.7F48 V51 G53 V54 Y79F48-K81 VanDerWaalsContact CE1-CE 3.49Å; F48-K81 HydrophobicContact CE2-CG 4.19Å; F48-K81 HydrophobicContact CZ-CD 4.46Å; F48-K81 HydrophobicContact CZ-CG 4.05Å; F48-K81 WeakPolarHBondContact O-CE 3.49Å; F48-K81 PolarHBondContact O-NZ 2.94Å; V51-K81 WeakPolarHBondContact O-CD 3.36Å; V51-K81 PolarHBondContact O-NZ 2.81Å; G53-K81 CarbonylContact C-O 3.59Å; G53-K81 WeakPolarHBondContact CA-O 3.32Å; V54-K81 PolarHBondContact N-O 3.09Å; Y79-K81 HydrophobicContact CE1-CB 4.39Å; Y79-K81 PolarHBondContact O-N 3.45Å
82V96.1Very high95.7Very high21 Ų2143 Ų4313%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-121137.7176630000110.4V54 L56 Y79 L155V54-V82 WeakPolarHBondContact O-CA 3.31Å; L56-V82 HydrophobicContact CB-CG2 4.38Å; Y79-V82 HydrophobicContact CD1-CB 4.21Å; V82-L155 HydrophobicContact CB-CD2 3.85Å; V82-L155 HydrophobicContact CG2-CD2 3.75Å
83S97.2Very high95.6Very high1 Ų141.5 Ų41.51%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-121.5120.6170.5-176.20000109.3V54 S55 L56 D110V54-S83 PolarHBondContact O-N 3.37Å; S55-S83 CarbonylContact C-O 3.58Å; S55-S83 WeakPolarHBondContact CA-O 3.38Å; L56-S83 PolarHBondContact N-O 3.49Å; S83-D110 CarbonylContact C-O 3.6Å; S83-D110 VanDerWaalsContact CA-O 3.25Å; S83-D110 WeakPolarHBondContact CA-O 3.29Å; S83-D110 VanDerWaalsContact CB-OD2 3.25Å; S83-D110 WeakPolarHBondContact CB-OD2 3.27Å; S83-D110 PolarHBondContact OG-OD1 2.83Å; S83-D110 PolarHBondContact OG-OD2 3.35Å
84A97.8Very high95.4Very high3 Ų344.2 Ų44.23%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-95.7115.7-176.200000111.9L56 D110 A111 G112L56-A84 HydrophobicContact CD2-CB 4Å; A84-D110 PolarHBondContact N-O 2.95Å; A84-A111 HydrophobicContact CB-CB 3.92Å; A84-A111 CarbonylContact O-C 3.56Å; A84-A111 WeakPolarHBondContact O-CA 3.17Å; A84-G112 PolarHBondContact O-N 2.83Å
85L98.2Very high95.4Very high5 Ų543.9 Ų43.93%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-108.994.6-176.7-47.7175.9000108.4L56 L57 K58 C87 F114 G132 A136L56-L85 WeakPolarHBondContact O-CA 3.33Å; L56-L85 WeakPolarHBondContact O-CB 3.31Å; L56-L85 PolarHBondContact O-N 2.94Å; L57-L85 HydrophobicContact CD1-CD1 3.91Å; K58-L85 PolarHBondContact N-O 3.28Å; L85-C87 PolarHBondContact O-N 3.42Å; L85-C87 PolarHBondContact O-SG 2.77Å; L85-F114 HydrophobicContact CB-CD2 4.22Å; L85-F114 HydrophobicContact CB-CE2 4.02Å; L85-F114 HydrophobicContact CD2-CE2 3.53Å; L85-F114 HydrophobicContact CD2-CZ 3.96Å; L85-F114 HydrophobicContact CG-CE2 4.32Å; L85-G132 WeakPolarHBondContact CD1-O 3.39Å; L85-A136 HydrophobicContact CD1-CB 4.29Å
86L98.3Very high95.4Very high3 Ų343.6 Ų43.62%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-80.3113.5179.6-54.3179.7000108.6K58 L60 F75 C99 G112 L113 F114K58-L86 HydrophobicContact CB-CD2 3.8Å; K58-L86 HydrophobicContact CG-CD2 4.19Å; L60-L86 HydrophobicContact CD1-CB 4.21Å; F75-L86 HydrophobicContact CE2-CD1 4.31Å; F75-L86 HydrophobicContact CZ-CD1 3.98Å; L86-C99 HydrophobicContact CD1-CB 3.78Å; L86-G112 PolarHBondContact N-O 2.99Å; L86-L113 HydrophobicContact CB-CD1 4.12Å; L86-F114 PolarHBondContact O-N 3.27Å
87C97.8Very high95.4Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-107.4119.8-172.6-58.10000110.3K58 L60 L85 N128 L129K58-C87 PolarHBondContact O-N 2.96Å; L60-C87 WeakPolarHBondContact CB-O 3.48Å; L60-C87 PolarHBondContact N-O 3.23Å; L85-C87 PolarHBondContact O-N 3.42Å; L85-C87 PolarHBondContact O-SG 2.77Å; C87-N128 WeakPolarHBondContact CB-O 3.08Å; C87-N128 PolarHBondContact O-ND2 3.13Å; C87-N128 PolarHBondContact O-OD1 2.85Å; C87-L129 HydrophobicContact CB-CD2 4.2Å
88V96.8Very high95.5Very high0 Ų045.4 Ų45.40%024%0.243CC..EExtended strand (participates in β ladder)trans-125.7134.6176-171.70000108.8L60 D90 D93 V96 L113 F114 I115 G116 N128L60-V88 HydrophobicContact CB-CG2 4.02Å; L60-V88 HydrophobicContact CD1-CG2 4.08Å; V88-D90 WeakPolarHBondContact CG1-O 3.35Å; V88-D93 HydrophobicContact CG1-CB 3.64Å; V88-V96 HydrophobicContact CB-CG2 4.26Å; V88-V96 HydrophobicContact CG1-CG2 3.87Å; V88-V96 HydrophobicContact CG2-CG2 4.25Å; V88-L113 HydrophobicContact CG2-CD1 3.72Å; V88-F114 PolarHBondContact N-O 3.14Å; V88-I115 CarbonylContact O-C 3.59Å; V88-I115 VanDerWaalsContact O-CA 3.25Å; V88-I115 WeakPolarHBondContact O-CA 3.38Å; V88-G116 PolarHBondContact O-N 3.05Å; V88-G116 VanDerWaalsContact O-N 3.08Å; V88-N128 VanDerWaalsContact CA-OD1 3.28Å; V88-N128 WeakPolarHBondContact CA-OD1 3.39Å; V88-N128 PolarHBondContact N-OD1 3.15Å; V88-N128 VanDerWaalsContact N-OD1 3.15Å
89Q92.8Very high95.7Very high65 Ų6539.6 Ų39.630%0.30421%0.212SC..SBendtrans-78.8-50.4-178.9-174.2174.1-17.800111.4G116 N128Q89-G116 CarbonylContact O-C 3.58Å; Q89-G116 WeakPolarHBondContact O-CA 3.36Å; Q89-G116 PolarHBondContact O-N 3.24Å; Q89-G116 VanDerWaalsContact O-N 3.09Å; Q89-N128 HydrophobicContact CB-CB 4.43Å; Q89-N128 PolarHBondContact N-OD1 3.21Å; Q89-N128 VanDerWaalsContact N-OD1 3.08Å
90D92.8Very high95.9Very high80 Ų8044.3 Ų44.343%0.42823%0.232SC..  trans-101.8135-173.1-53.7-50.5000110.7V88 D92 D93V88-D90 WeakPolarHBondContact CG1-O 3.35Å; D90-D92 PolarHBondContact O-N 2.87Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.45Å; D90-D93 PolarHBondContact O-N 2.97Å
91Q93.9Very high96.3Very high148 Ų14847.4 Ų47.469%0.69224%0.238SC*.THydrogen-bonded Turntrans-65-30.1-178.2-178.8171.6-800113D93 I115Q91-D93 VanDerWaalsContact C-N 3.32Å; Q91-I115 HydrophobicContact CB-CG2 3.84Å; Q91-I115 HydrophobicContact CG-CG2 4.39Å
92D95.1Very high96.5Very high156 Ų15645.8 Ų45.883%0.83423%0.231SC*.THydrogen-bonded Turntrans-90.45.2179.9-55.5-46.1000112.7D90D90-D92 PolarHBondContact O-N 2.87Å
93D95.7Very high96.6Very high16 Ų1647 Ų479%0.08624%0.237CC..  trans-65.7129.8175.9-170.5-60.6000109.7K61 G62 V88 D90 Q91 A95 V96K61-D93 WeakPolarHBondContact CA-OD2 3.36Å; G62-D93 WeakPolarHBondContact CA-OD1 3.37Å; G62-D93 VanDerWaalsContact N-CG 3.31Å; G62-D93 PolarHBondContact N-OD1 3.16Å; G62-D93 PolarHBondContact N-OD2 2.65Å; V88-D93 HydrophobicContact CG1-CB 3.64Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.45Å; D90-D93 PolarHBondContact O-N 2.97Å; Q91-D93 VanDerWaalsContact C-N 3.32Å; D93-A95 PolarHBondContact O-N 3.2Å; D93-A95 WeakPolarHBondContact OD1-CB 3.48Å; D93-A95 PolarHBondContact OD1-N 3.16Å; D93-V96 VanDerWaalsContact O-CB 3.3Å; D93-V96 WeakPolarHBondContact O-CB 3.42Å; D93-V96 WeakPolarHBondContact O-CG2 3.31Å; D93-V96 PolarHBondContact O-N 3.45Å
94P95.4Very high96.6Very high71 Ų7149.8 Ų49.846%0.46127%0.266SS..THydrogen-bonded Turntrans-62.5-14.8-177.224.6-34.7000114V63 V96 D97V63-P94 HydrophobicContact CG2-CB 3.64Å; V63-P94 HydrophobicContact CG2-CG 3.84Å; P94-V96 PolarHBondContact O-N 3.16Å; P94-D97 PolarHBondContact O-N 3.34Å
95A96.3Very high96.6Very high0 Ų055.4 Ų55.40%029%0.29CS..Hα-helixtrans-63.5-24.4170.400000113L60 L67 D93 D97 V98 C99L60-A95 HydrophobicContact CB-CB 4Å; L60-A95 HydrophobicContact CD1-CB 4.47Å; L67-A95 HydrophobicContact CD2-CB 4.23Å; D93-A95 PolarHBondContact O-N 3.2Å; D93-A95 WeakPolarHBondContact OD1-CB 3.48Å; D93-A95 PolarHBondContact OD1-N 3.16Å; A95-D97 VanDerWaalsContact C-N 3.34Å; A95-D97 PolarHBondContact O-N 2.89Å; A95-V98 WeakPolarHBondContact O-CB 3.41Å; A95-V98 PolarHBondContact O-N 2.97Å; A95-C99 PolarHBondContact O-N 2.92Å; A95-C99 PolarHBondContact O-SG 2.82Å
96V97.5Very high96.6Very high4 Ų457.6 Ų57.62%0.02430%0.298CS..Hα-helixtrans-58.9-45.1178.1169.50000111.2V88 D93 P94 V98 C99 K100 L113 I115V88-V96 HydrophobicContact CB-CG2 4.26Å; V88-V96 HydrophobicContact CG1-CG2 3.87Å; V88-V96 HydrophobicContact CG2-CG2 4.25Å; D93-V96 VanDerWaalsContact O-CB 3.3Å; D93-V96 WeakPolarHBondContact O-CB 3.42Å; D93-V96 WeakPolarHBondContact O-CG2 3.31Å; D93-V96 PolarHBondContact O-N 3.45Å; P94-V96 PolarHBondContact O-N 3.16Å; V96-V98 PolarHBondContact O-N 3.44Å; V96-C99 WeakPolarHBondContact O-CB 3.28Å; V96-C99 PolarHBondContact O-N 2.89Å; V96-K100 HydrophobicContact CG1-CD 4.1Å; V96-K100 HydrophobicContact CG1-CG 4.49Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 2.9Å; V96-L113 HydrophobicContact CG1-CD2 4.12Å; V96-I115 HydrophobicContact CG1-CD1 4.25Å; V96-I115 HydrophobicContact CG2-CD1 4.22Å
97D97.1Very high96.5Very high109 Ų10962.1 Ų62.158%0.58333%0.327SS*.Hα-helixtrans-68.5-37.1-178.9-70.5-23.4000112P94 A95 C99 K100 K101P94-D97 PolarHBondContact O-N 3.34Å; A95-D97 VanDerWaalsContact C-N 3.34Å; A95-D97 PolarHBondContact O-N 2.89Å; D97-C99 VanDerWaalsContact C-N 3.32Å; D97-C99 PolarHBondContact O-N 2.61Å; D97-K100 PolarHBondContact O-N 3.29Å; D97-K101 WeakPolarHBondContact O-CB 3.43Å; D97-K101 PolarHBondContact O-N 3.29Å
98V97.3Very high96.4Very high15 Ų1569.9 Ų69.99%0.09137%0.369CS..Hα-helixtrans-59.2-45.2171.5169.50000110.8V63 L67 I68 L71 A95 V96 K101 L102V63-V98 HydrophobicContact CG2-CG2 4.41Å; L67-V98 HydrophobicContact CD2-CB 4.48Å; L67-V98 HydrophobicContact CD2-CG1 4.32Å; L67-V98 HydrophobicContact CD2-CG2 4.37Å; L67-V98 HydrophobicContact CG-CG1 4.3Å; I68-V98 HydrophobicContact CB-CG1 4.44Å; I68-V98 HydrophobicContact CD1-CG2 4.22Å; I68-V98 HydrophobicContact CG1-CB 4.27Å; I68-V98 HydrophobicContact CG1-CG1 3.6Å; I68-V98 HydrophobicContact CG1-CG2 3.79Å; L71-V98 HydrophobicContact CD1-CG1 3.82Å; A95-V98 WeakPolarHBondContact O-CB 3.41Å; A95-V98 PolarHBondContact O-N 2.97Å; V96-V98 PolarHBondContact O-N 3.44Å; V98-K101 PolarHBondContact O-N 3.49Å; V98-L102 HydrophobicContact CG1-CD1 4.28Å; V98-L102 PolarHBondContact O-N 3.43Å; V98-L102 VanDerWaalsContact O-N 3.13Å
99C97.8Very high96.3Very high0 Ų071.8 Ų71.80%038%0.381CS..Hα-helixtrans-62.9-49.5178-64.40000111.8L60 L86 A95 V96 D97 K101 L102 L103 L113L60-C99 WeakPolarHBondContact CD1-SG 3.44Å; L86-C99 HydrophobicContact CD1-CB 3.78Å; A95-C99 PolarHBondContact O-N 2.92Å; A95-C99 PolarHBondContact O-SG 2.82Å; V96-C99 WeakPolarHBondContact O-CB 3.28Å; V96-C99 PolarHBondContact O-N 2.89Å; D97-C99 VanDerWaalsContact C-N 3.32Å; D97-C99 PolarHBondContact O-N 2.61Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 2.67Å; C99-L102 PolarHBondContact O-N 2.84Å; C99-L102 VanDerWaalsContact O-N 3.16Å; C99-L103 VanDerWaalsContact O-CG 3.31Å; C99-L103 WeakPolarHBondContact O-CG 3.29Å; C99-L103 PolarHBondContact O-N 3.05Å; C99-L113 HydrophobicContact CB-CD1 3.82Å; C99-L113 HydrophobicContact CB-CD2 4.02Å; C99-L113 HydrophobicContact CB-CG 4.4Å
100K97.8Very high96.5Very high119 Ų11971.7 Ų71.752%0.51738%0.382SS..Hα-helixtrans-57.3-42.2178.3-73.2173.7-179.4167.50111.7V96 D97 L103 G104 L113V96-K100 HydrophobicContact CG1-CD 4.1Å; V96-K100 HydrophobicContact CG1-CG 4.49Å; V96-K100 WeakPolarHBondContact O-CG 3.39Å; V96-K100 PolarHBondContact O-N 2.9Å; D97-K100 PolarHBondContact O-N 3.29Å; K100-L103 PolarHBondContact O-N 3.07Å; K100-G104 PolarHBondContact O-N 3.32Å; K100-L113 HydrophobicContact CG-CD2 4.3Å
101K97.4Very high96.8Very high142 Ų14269.1 Ų69.162%0.61737%0.372SS*.Hα-helixtrans-61.1-44.4176.8-174.5177.5-178.4177.60112.1D97 V98 C99 G104 K105D97-K101 WeakPolarHBondContact O-CB 3.43Å; D97-K101 PolarHBondContact O-N 3.29Å; V98-K101 PolarHBondContact O-N 3.49Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 2.67Å; K101-G104 PolarHBondContact O-N 3.04Å; K101-K105 WeakPolarHBondContact O-CB 3.33Å; K101-K105 PolarHBondContact O-N 3.31Å
102L97.9Very high96.9Very high4 Ų463.1 Ų63.12%0.02135%0.35CS..Hα-helixtrans-69.9-40.9178.9-71.6172.2000112.2L71 E72 F75 V98 C99 G104 K105 Y106L71-L102 HydrophobicContact CB-CD1 3.41Å; L71-L102 VanDerWaalsContact CB-CD1 3.41Å; L71-L102 HydrophobicContact CD1-CD1 4.24Å; L71-L102 HydrophobicContact CG-CD1 4.48Å; E72-L102 HydrophobicContact CB-CD2 4.03Å; E72-L102 HydrophobicContact CG-CD2 4.36Å; F75-L102 HydrophobicContact CD2-CB 4.23Å; F75-L102 HydrophobicContact CD2-CD1 4.29Å; F75-L102 HydrophobicContact CE1-CB 4.42Å; F75-L102 HydrophobicContact CE2-CB 3.74Å; F75-L102 HydrophobicContact CE2-CD1 3.94Å; F75-L102 HydrophobicContact CE2-CG 4.4Å; F75-L102 HydrophobicContact CZ-CB 3.83Å; V98-L102 HydrophobicContact CG1-CD1 4.28Å; V98-L102 PolarHBondContact O-N 3.43Å; V98-L102 VanDerWaalsContact O-N 3.13Å; C99-L102 PolarHBondContact O-N 2.84Å; C99-L102 VanDerWaalsContact O-N 3.16Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 3.23Å; L102-K105 PolarHBondContact O-N 3.02Å; L102-K105 VanDerWaalsContact O-N 3.17Å; L102-Y106 HydrophobicContact CD2-CD2 4.46Å; L102-Y106 HydrophobicContact CD2-CE2 4.21Å; L102-Y106 WeakPolarHBondContact O-CD2 3.3Å; L102-Y106 PolarHBondContact O-N 2.82Å
103L98.1Very high97.1Very high45 Ų4557.8 Ų57.824%0.23632%0.321CS..Hα-helixtrans-59.4-42.5174-69.8170000111.6F75 C99 K100 Y106 A111 L113F75-L103 HydrophobicContact CE1-CD2 4.16Å; F75-L103 HydrophobicContact CZ-CD2 4.26Å; C99-L103 VanDerWaalsContact O-CG 3.31Å; C99-L103 WeakPolarHBondContact O-CG 3.29Å; C99-L103 PolarHBondContact O-N 3.05Å; K100-L103 PolarHBondContact O-N 3.07Å; L103-Y106 CarbonylContact O-C 3.58Å; L103-Y106 PolarHBondContact O-N 3.34Å; L103-A111 HydrophobicContact CD2-CB 3.52Å; L103-L113 HydrophobicContact CD1-CB 3.86Å
104G97.8Very high97.2Very high60 Ų6059.6 Ų59.662%0.61933%0.328SS*.Hα-helixtrans-68.1-34.1174.900000113.7K100 K101 L102K100-G104 PolarHBondContact O-N 3.32Å; K101-G104 PolarHBondContact O-N 3.04Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 3.23Å
105K98Very high97.2Very high121 Ų12159.6 Ų59.653%0.52632%0.324SS..Hα-helixtrans-72.1-31.2177.2-174.9175177.3-1770112.8E72 K101 L102 P107E72-K105 IonicContact OE1-NZ 3.75Å; E72-K105 PolarHBondContact OE1-NZ 3.47Å; K101-K105 WeakPolarHBondContact O-CB 3.33Å; K101-K105 PolarHBondContact O-N 3.31Å; L102-K105 PolarHBondContact O-N 3.02Å; L102-K105 VanDerWaalsContact O-N 3.17Å; K105-P107 VanDerWaalsContact C-CD 3.45Å; K105-P107 WeakPolarHBondContact O-CD 3.24Å
106Y97.5Very high97Very high51 Ų5161.9 Ų61.920%0.235%0.347CS..  trans-125.963.7-174.9-63.7-78.1000112.2E72 F75 T76 L102 L103 N108 V109E72-Y106 HydrophobicContact CG-CE2 4.05Å; E72-Y106 PolarHBondContact OE1-OH 3.4Å; F75-Y106 HydrophobicContact CB-CD1 4.35Å; F75-Y106 HydrophobicContact CB-CD2 3.69Å; F75-Y106 HydrophobicContact CB-CE2 4.05Å; F75-Y106 HydrophobicContact CB-CG 3.86Å; F75-Y106 HydrophobicContact CD1-CD2 4Å; F75-Y106 HydrophobicContact CD1-CG 4.05Å; F75-Y106 AromaticContact CG-CD2 3.93Å; F75-Y106 HydrophobicContact CG-CD2 3.93Å; F75-Y106 HydrophobicContact CG-CG 4.26Å; T76-Y106 HydrophobicContact CG2-CE1 3.99Å; L102-Y106 HydrophobicContact CD2-CD2 4.46Å; L102-Y106 HydrophobicContact CD2-CE2 4.21Å; L102-Y106 WeakPolarHBondContact O-CD2 3.3Å; L102-Y106 PolarHBondContact O-N 2.82Å; L103-Y106 CarbonylContact O-C 3.58Å; L103-Y106 PolarHBondContact O-N 3.34Å; Y106-N108 PolarHBondContact O-N 3.49Å; Y106-N108 VanDerWaalsContact O-N 3.14Å; Y106-V109 PolarHBondContact O-N 2.78Å
107P96.4Very high96.7Very high98 Ų9862.5 Ų62.564%0.63635%0.354SS*.THydrogen-bonded Turntrans-66.9-18.6-173.228-36.6000114.2K105K105-P107 VanDerWaalsContact C-CD 3.45Å; K105-P107 WeakPolarHBondContact O-CD 3.24Å
108N95.2Very high96.6Very high164 Ų16462 Ų6288%0.87735%0.347SS*.THydrogen-bonded Turntrans-89.6-6.9-179.3-62.5-30000113.5Y106Y106-N108 PolarHBondContact O-N 3.49Å; Y106-N108 VanDerWaalsContact O-N 3.14Å
109V95.6Very high96.4Very high40 Ų4070.1 Ų70.124%0.24238%0.381CS..SBendtrans-84129.9176.1177.60000108F75 Y106 A111F75-V109 HydrophobicContact CD1-CB 4Å; F75-V109 HydrophobicContact CD1-CG1 3.9Å; F75-V109 HydrophobicContact CD1-CG2 4.25Å; F75-V109 HydrophobicContact CE1-CG1 4.46Å; F75-V109 WeakPolarHBondContact O-CG2 3.4Å; Y106-V109 PolarHBondContact O-N 2.78Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 HydrophobicContact CG1-CB 4.24Å; V109-A111 PolarHBondContact O-N 2.84Å
110D97Very high96.2Very high63 Ų6372 Ų7234%0.33739%0.392SS..  trans-66.790.9173.3-179.512.1000109.3S83 A84 K137S83-D110 CarbonylContact C-O 3.6Å; S83-D110 VanDerWaalsContact CA-O 3.25Å; S83-D110 WeakPolarHBondContact CA-O 3.29Å; S83-D110 VanDerWaalsContact CB-OD2 3.25Å; S83-D110 WeakPolarHBondContact CB-OD2 3.27Å; S83-D110 PolarHBondContact OG-OD1 2.83Å; S83-D110 PolarHBondContact OG-OD2 3.35Å; A84-D110 PolarHBondContact N-O 2.95Å; D110-K137 IonicContact OD1-NZ 2.75Å; D110-K137 PolarHBondContact OD1-NZ 3.32Å; D110-K137 IonicContact OD2-NZ 2.78Å; D110-K137 PolarHBondContact OD2-NZ 3.3Å
111A97.6Very high95.9Very high25 Ų2567.5 Ų67.521%0.20738%0.38CS..EExtended strand (participates in β ladder)trans-140.1144.3-176.900000110.9F75 A84 L103 V109F75-A111 HydrophobicContact CE1-CB 3.64Å; F75-A111 HydrophobicContact CZ-CB 4.1Å; A84-A111 HydrophobicContact CB-CB 3.92Å; A84-A111 CarbonylContact O-C 3.56Å; A84-A111 WeakPolarHBondContact O-CA 3.17Å; L103-A111 HydrophobicContact CD2-CB 3.52Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 HydrophobicContact CG1-CB 4.24Å; V109-A111 PolarHBondContact O-N 2.84Å
112G97.1Very high95.6Very high22 Ų2262.8 Ų62.823%0.22736%0.361CS..EExtended strand (participates in β ladder)trans-139.6148.5179.600000111.8A84 L86A84-G112 PolarHBondContact O-N 2.83Å; L86-G112 PolarHBondContact N-O 2.99Å
113L98.1Very high95.3Very high44 Ų4462.6 Ų62.623%0.2336%0.36CS..EExtended strand (participates in β ladder)trans-103.1122.8173.2176.461.2000109.5L86 V88 V96 C99 K100 L103 I115L86-L113 HydrophobicContact CB-CD1 4.12Å; V88-L113 HydrophobicContact CG2-CD1 3.72Å; V96-L113 HydrophobicContact CG1-CD2 4.12Å; C99-L113 HydrophobicContact CB-CD1 3.82Å; C99-L113 HydrophobicContact CB-CD2 4.02Å; C99-L113 HydrophobicContact CB-CG 4.4Å; K100-L113 HydrophobicContact CG-CD2 4.3Å; L103-L113 HydrophobicContact CD1-CB 3.86Å; L113-I115 HydrophobicContact CD1-CG1 4.36Å; L113-I115 HydrophobicContact CD2-CD1 4.01Å; L113-I115 HydrophobicContact CD2-CG1 4.27Å; L113-I115 HydrophobicContact CG-CD1 4.24Å; L113-I115 HydrophobicContact CG-CG1 3.97Å
114F97.7Very high95Very high55 Ų5560.9 Ų60.924%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-111.4116.6179.3-67.2-99.5000108.8L85 L86 V88 P131 A135L85-F114 HydrophobicContact CB-CD2 4.22Å; L85-F114 HydrophobicContact CB-CE2 4.02Å; L85-F114 HydrophobicContact CD2-CE2 3.53Å; L85-F114 HydrophobicContact CD2-CZ 3.96Å; L85-F114 HydrophobicContact CG-CE2 4.32Å; L86-F114 PolarHBondContact O-N 3.27Å; V88-F114 PolarHBondContact N-O 3.14Å; F114-P131 HydrophobicContact CB-CB 4.22Å; F114-P131 HydrophobicContact CD1-CB 4.06Å; F114-A135 HydrophobicContact CD1-CB 4.45Å; F114-A135 HydrophobicContact CE1-CB 3.39Å; F114-A135 HydrophobicContact CZ-CB 3.52Å
115I96.4Very high94.7Very high71 Ų7158.4 Ų58.436%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-111.7142.6-177.9-57.7176.6000109.6V88 Q91 V96 L113V88-I115 CarbonylContact O-C 3.59Å; V88-I115 VanDerWaalsContact O-CA 3.25Å; V88-I115 WeakPolarHBondContact O-CA 3.38Å; Q91-I115 HydrophobicContact CB-CG2 3.84Å; Q91-I115 HydrophobicContact CG-CG2 4.39Å; V96-I115 HydrophobicContact CG1-CD1 4.25Å; V96-I115 HydrophobicContact CG2-CD1 4.22Å; L113-I115 HydrophobicContact CD1-CG1 4.36Å; L113-I115 HydrophobicContact CD2-CD1 4.01Å; L113-I115 HydrophobicContact CD2-CG1 4.27Å; L113-I115 HydrophobicContact CG-CD1 4.24Å; L113-I115 HydrophobicContact CG-CG1 3.97Å
116G92.1Very high94.6Very high47 Ų4752.7 Ų52.749%0.48530%0.299SS..SBendtrans115.8-25.9170.100000114.3V88 Q89V88-G116 PolarHBondContact O-N 3.05Å; V88-G116 VanDerWaalsContact O-N 3.08Å; Q89-G116 CarbonylContact O-C 3.58Å; Q89-G116 WeakPolarHBondContact O-CA 3.36Å; Q89-G116 PolarHBondContact O-N 3.24Å; Q89-G116 VanDerWaalsContact O-N 3.09Å
117G91.9Very high94.5Very high18 Ų1850.8 Ų50.819%0.18629%0.292CS..  trans54.1-166.3-171.600000113.1N127G117-N127 CarbonylContact C-O 3.5Å; G117-N127 VanDerWaalsContact CA-O 3.31Å; G117-N127 WeakPolarHBondContact CA-O 3.42Å
118K93.9Very high94.4Very high99 Ų9946.3 Ų46.343%0.4326%0.263SS..  trans-148.4120.1171.8-170.9179.31781680108.8V120 N127 M130 E134K118-V120 HydrophobicContact CB-CG1 4.27Å; K118-V120 HydrophobicContact CD-CG1 3.96Å; K118-V120 HydrophobicContact CG-CG1 3.79Å; K118-V120 PolarHBondContact O-N 3.39Å; K118-N127 PolarHBondContact N-O 2.8Å; K118-N127 WeakPolarHBondContact O-CA 3.28Å; K118-N127 VanDerWaalsContact O-CB 3.29Å; K118-N127 WeakPolarHBondContact O-CB 3.38Å; K118-N127 PolarHBondContact O-OD1 3.49Å; K118-M130 HydrophobicContact CB-CB 3.68Å; K118-M130 HydrophobicContact CB-CG 4.22Å; K118-M130 HydrophobicContact CD-CB 4.28Å; K118-E134 IonicContact NZ-OE1 3.68Å; K118-E134 PolarHBondContact NZ-OE1 3Å; K118-E134 IonicContact NZ-OE2 2.7Å
119K92.3Very high94.5Very high184 Ų18438.5 Ų38.580%0.822%0.221SC*.  trans-72.696.9179.2-170.5172.5-176.4173.90110
120V93.8Very high94.6Very high40 Ų4036.9 Ų36.924%0.24221%0.211CC..  trans-112.4-11.6-179.4-640000112.9K118 I126 N127 M130 V228 A231K118-V120 HydrophobicContact CB-CG1 4.27Å; K118-V120 HydrophobicContact CD-CG1 3.96Å; K118-V120 HydrophobicContact CG-CG1 3.79Å; K118-V120 PolarHBondContact O-N 3.39Å; V120-I126 HydrophobicContact CG2-CG2 3.8Å; V120-N127 VanDerWaalsContact CG2-OD1 3.28Å; V120-N127 WeakPolarHBondContact CG2-OD1 3.43Å; V120-N127 PolarHBondContact N-OD1 3.43Å; V120-M130 HydrophobicContact CB-CG 4.43Å; V120-M130 HydrophobicContact CG1-CE 4.45Å; V120-M130 HydrophobicContact CG1-CG 3.91Å; V120-M130 HydrophobicContact CG1-SD 4.45Å; V120-M130 HydrophobicContact CG2-CG 3.61Å; V120-M130 HydrophobicContact CG2-SD 4.1Å; V120-V228 HydrophobicContact CB-CG1 4.17Å; V120-V228 HydrophobicContact CB-CG2 4.16Å; V120-V228 HydrophobicContact CG1-CG2 4.07Å; V120-V228 HydrophobicContact CG2-CG2 4.4Å; V120-A231 HydrophobicContact CB-CB 4.5Å; V120-A231 HydrophobicContact CG2-CB 3.82Å
121G91.5Very high94.6Very high24 Ų2435.2 Ų35.225%0.24720%0.203CC..SBendtrans-175.4-159.617200000111.7N127G121-N127 PolarHBondContact N-OD1 2.88Å; G121-N127 VanDerWaalsContact N-OD1 3.08Å; G121-N127 PolarHBondContact O-ND2 2.93Å; G121-N127 PolarHBondContact O-OD1 2.93Å
122I90.6Very high94.5Very high43 Ų4334 Ų3422%0.22119%0.193CC..SBendtrans-82.8-19.3-177.256.9143.2000113.5P124 A231 I234 Y380 A388I122-P124 WeakPolarHBondContact O-CD 3.4Å; I122-A231 WeakPolarHBondContact CG1-O 3.06Å; I122-A231 PolarHBondContact N-O 3.49Å; I122-A231 VanDerWaalsContact N-O 3.08Å; I122-I234 HydrophobicContact CD1-CD1 4.28Å; I122-Y380 HydrophobicContact CB-CE1 4.44Å; I122-Y380 HydrophobicContact CD1-CD1 4.3Å; I122-A388 VanDerWaalsContact CD1-C 3.41Å; I122-A388 HydrophobicContact CD1-CB 3.29Å; I122-A388 WeakPolarHBondContact CD1-O 3.28Å
123N92.4Very high94.6Very high0 Ų033.4 Ų33.40%019%0.185CC..  trans-78109-178.8-176-32.6000110.4K125 I126 N127 A231 Y233 E236 W375N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 WeakPolarHBondContact OD1-CA 3.16Å; N123-K125 VanDerWaalsContact OD1-CB 3.29Å; N123-K125 WeakPolarHBondContact OD1-CB 3.46Å; N123-K125 PolarHBondContact OD1-N 3Å; N123-I126 HydrophobicContact CB-CB 4.16Å; N123-I126 HydrophobicContact CB-CG1 4.12Å; N123-I126 PolarHBondContact O-N 3.07Å; N123-I126 PolarHBondContact OD1-N 3.09Å; N123-I126 VanDerWaalsContact OD1-N 3.17Å; N123-N127 VanDerWaalsContact O-CG 3.31Å; N123-N127 PolarHBondContact O-N 3.36Å; N123-N127 PolarHBondContact O-ND2 3.14Å; N123-A231 WeakPolarHBondContact CB-O 3.22Å; N123-A231 PolarHBondContact N-O 3.34Å; N123-Y233 WeakPolarHBondContact CB-O 3.29Å; N123-Y233 PolarHBondContact ND2-O 3.24Å; N123-E236 PolarHBondContact ND2-OE2 3.45Å; N123-W375 WeakPolarHBondContact OD1-CZ3 3.24Å
124P91.1Very high94.5Very high9 Ų936.6 Ų36.66%0.05820%0.198CC..Hα-helixtrans-63.6-28.7-18025.2-37.2000113.6I122 N128 W375I122-P124 WeakPolarHBondContact O-CD 3.4Å; P124-N128 VanDerWaalsContact O-CB 3.26Å; P124-N128 WeakPolarHBondContact O-CB 3.31Å; P124-N128 PolarHBondContact O-N 2.86Å; P124-W375 HydrophobicContact CG-CE3 3.69Å; P124-W375 HydrophobicContact CG-CH2 4.2Å; P124-W375 HydrophobicContact CG-CZ3 3.47Å; P124-W375 VanDerWaalsContact CG-CZ3 3.47Å
125K93.3Very high94.5Very high9 Ų935.9 Ų35.94%0.03920%0.202CC..Hα-helixtrans-68.7-45.3176.4178.8174166.1-170.60110.8P59 N123 N128 L129 D145 E236 W375P59-K125 HydrophobicContact CB-CG 4.05Å; P59-K125 HydrophobicContact CG-CD 4.29Å; P59-K125 HydrophobicContact CG-CG 4.09Å; N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 WeakPolarHBondContact OD1-CA 3.16Å; N123-K125 VanDerWaalsContact OD1-CB 3.29Å; N123-K125 WeakPolarHBondContact OD1-CB 3.46Å; N123-K125 PolarHBondContact OD1-N 3Å; K125-N128 PolarHBondContact O-N 3.44Å; K125-L129 HydrophobicContact CG-CD1 4.03Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 VanDerWaalsContact O-CG 3.24Å; K125-L129 WeakPolarHBondContact O-CG 3.47Å; K125-L129 PolarHBondContact O-N 3.08Å; K125-D145 WeakPolarHBondContact CE-OD1 3.46Å; K125-D145 IonicContact NZ-OD1 3.36Å; K125-D145 PolarHBondContact NZ-OD1 3.19Å; K125-E236 VanDerWaalsContact CD-OE1 3.25Å; K125-E236 WeakPolarHBondContact CD-OE1 3.49Å; K125-E236 WeakPolarHBondContact CE-OE1 3.32Å; K125-E236 IonicContact NZ-OE1 3.55Å; K125-E236 PolarHBondContact NZ-OE1 3.35Å; K125-W375 HydrophobicContact CB-CH2 3.62Å; K125-W375 HydrophobicContact CB-CZ2 4.34Å
126I95.4Very high94.5Very high0 Ų033.2 Ų33.20%019%0.191CC..Hα-helixtrans-62.2-47175-67-65.3000110.5V120 N123 N128 L129 M130 L227 A231 E236V120-I126 HydrophobicContact CG2-CG2 3.8Å; N123-I126 HydrophobicContact CB-CB 4.16Å; N123-I126 HydrophobicContact CB-CG1 4.12Å; N123-I126 PolarHBondContact O-N 3.07Å; N123-I126 PolarHBondContact OD1-N 3.09Å; N123-I126 VanDerWaalsContact OD1-N 3.17Å; I126-N128 VanDerWaalsContact C-N 3.26Å; I126-N128 PolarHBondContact O-N 3.08Å; I126-L129 PolarHBondContact O-N 3.33Å; I126-M130 HydrophobicContact CG2-SD 4.44Å; I126-M130 WeakPolarHBondContact O-CG 3.34Å; I126-M130 PolarHBondContact O-N 2.87Å; I126-M130 VanDerWaalsContact O-N 3.14Å; I126-L227 HydrophobicContact CD1-CB 4.26Å; I126-L227 HydrophobicContact CD1-CD2 4.2Å; I126-L227 HydrophobicContact CG2-CB 4.28Å; I126-L227 WeakPolarHBondContact CG2-O 3.4Å; I126-A231 HydrophobicContact CB-CB 4.31Å; I126-A231 HydrophobicContact CG2-CB 3.73Å; I126-E236 HydrophobicContact CD1-CB 4.01Å; I126-E236 HydrophobicContact CD1-CG 3.85Å; I126-E236 HydrophobicContact CG1-CB 4.03Å; I126-E236 HydrophobicContact CG1-CG 4.14Å
127N94.9Very high94.7Very high11 Ų1137 Ų376%0.05919%0.194CC..Hα-helixtrans-55.6-42.9177.5-67.5-22.2000112.1G117 K118 V120 G121 N123G117-N127 CarbonylContact C-O 3.5Å; G117-N127 VanDerWaalsContact CA-O 3.31Å; G117-N127 WeakPolarHBondContact CA-O 3.42Å; K118-N127 PolarHBondContact N-O 2.8Å; K118-N127 WeakPolarHBondContact O-CA 3.28Å; K118-N127 VanDerWaalsContact O-CB 3.29Å; K118-N127 WeakPolarHBondContact O-CB 3.38Å; K118-N127 PolarHBondContact O-OD1 3.49Å; V120-N127 VanDerWaalsContact CG2-OD1 3.28Å; V120-N127 WeakPolarHBondContact CG2-OD1 3.43Å; V120-N127 PolarHBondContact N-OD1 3.43Å; G121-N127 PolarHBondContact N-OD1 2.88Å; G121-N127 VanDerWaalsContact N-OD1 3.08Å; G121-N127 PolarHBondContact O-ND2 2.93Å; G121-N127 PolarHBondContact O-OD1 2.93Å; N123-N127 VanDerWaalsContact O-CG 3.31Å; N123-N127 PolarHBondContact O-N 3.36Å; N123-N127 PolarHBondContact O-ND2 3.14Å
128N95.2Very high94.9Very high4 Ų439.4 Ų39.42%0.02120%0.198CC..Hα-helixtrans-64.7-40.5176.8-17319.9000112.4L60 C87 V88 Q89 P124 K125 I126 M130 P131L60-N128 PolarHBondContact N-ND2 2.93Å; L60-N128 PolarHBondContact O-ND2 3.35Å; C87-N128 WeakPolarHBondContact CB-O 3.08Å; C87-N128 PolarHBondContact O-ND2 3.13Å; C87-N128 PolarHBondContact O-OD1 2.85Å; V88-N128 VanDerWaalsContact CA-OD1 3.28Å; V88-N128 WeakPolarHBondContact CA-OD1 3.39Å; V88-N128 PolarHBondContact N-OD1 3.15Å; V88-N128 VanDerWaalsContact N-OD1 3.15Å; Q89-N128 HydrophobicContact CB-CB 4.43Å; Q89-N128 PolarHBondContact N-OD1 3.21Å; Q89-N128 VanDerWaalsContact N-OD1 3.08Å; P124-N128 VanDerWaalsContact O-CB 3.26Å; P124-N128 WeakPolarHBondContact O-CB 3.31Å; P124-N128 PolarHBondContact O-N 2.86Å; K125-N128 PolarHBondContact O-N 3.44Å; I126-N128 VanDerWaalsContact C-N 3.26Å; I126-N128 PolarHBondContact O-N 3.08Å; N128-M130 PolarHBondContact O-N 2.98Å; N128-P131 WeakPolarHBondContact O-CD 3.43Å
129L96.9Very high95Very high1 Ų137.1 Ų37.11%0.00520%0.203CC..Hα-helixtrans-74.5-20-175.7-73.7177.8000114.9L57 P59 C87 K125 I126 G132 Y133 I143 L227L57-L129 HydrophobicContact CB-CD2 3.92Å; L57-L129 HydrophobicContact CD2-CD2 4.42Å; P59-L129 HydrophobicContact CB-CD1 4.42Å; P59-L129 HydrophobicContact CB-CD2 3.66Å; P59-L129 HydrophobicContact CB-CG 3.95Å; P59-L129 HydrophobicContact CG-CD1 4.33Å; P59-L129 HydrophobicContact CG-CD2 3.94Å; P59-L129 HydrophobicContact CG-CG 4.33Å; C87-L129 HydrophobicContact CB-CD2 4.2Å; K125-L129 HydrophobicContact CG-CD1 4.03Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 VanDerWaalsContact O-CG 3.24Å; K125-L129 WeakPolarHBondContact O-CG 3.47Å; K125-L129 PolarHBondContact O-N 3.08Å; I126-L129 PolarHBondContact O-N 3.33Å; L129-G132 PolarHBondContact O-N 2.87Å; L129-G132 VanDerWaalsContact O-N 3.16Å; L129-Y133 PolarHBondContact O-N 3.42Å; L129-I143 HydrophobicContact CD1-CD1 4.15Å; L129-I143 HydrophobicContact CD1-CG2 3.85Å; L129-L227 HydrophobicContact CB-CD1 4.04Å
130M96.8Very high95.3Very high5 Ų528.7 Ų28.73%0.02517%0.166CC..Hα-helixtrans-54-50.1-171.8-79.3-54.2-56.200114.6K118 V120 I126 N128 G132 Y133 E134 L227 V228K118-M130 HydrophobicContact CB-CB 3.68Å; K118-M130 HydrophobicContact CB-CG 4.22Å; K118-M130 HydrophobicContact CD-CB 4.28Å; V120-M130 HydrophobicContact CB-CG 4.43Å; V120-M130 HydrophobicContact CG1-CE 4.45Å; V120-M130 HydrophobicContact CG1-CG 3.91Å; V120-M130 HydrophobicContact CG1-SD 4.45Å; V120-M130 HydrophobicContact CG2-CG 3.61Å; V120-M130 HydrophobicContact CG2-SD 4.1Å; I126-M130 HydrophobicContact CG2-SD 4.44Å; I126-M130 WeakPolarHBondContact O-CG 3.34Å; I126-M130 PolarHBondContact O-N 2.87Å; I126-M130 VanDerWaalsContact O-N 3.14Å; N128-M130 PolarHBondContact O-N 2.98Å; M130-G132 VanDerWaalsContact C-N 3.31Å; M130-G132 PolarHBondContact O-N 3.21Å; M130-Y133 PolarHBondContact O-N 2.91Å; M130-Y133 VanDerWaalsContact O-N 3.13Å; M130-E134 HydrophobicContact CE-CG 4.28Å; M130-E134 WeakPolarHBondContact CE-OE1 3.4Å; M130-E134 WeakPolarHBondContact O-CG 3.4Å; M130-E134 PolarHBondContact O-N 3.49Å; M130-L227 HydrophobicContact SD-CB 3.84Å; M130-V228 HydrophobicContact CE-CG2 3.44Å; M130-V228 VanDerWaalsContact CE-CG2 3.44Å; M130-V228 HydrophobicContact SD-CG2 3.67Å
131P96.7Very high95.5Very high28 Ų2826.8 Ų26.818%0.18216%0.155CC..Hα-helixtrans-60.7-39.6178.9-2435.4000112.8F114 N128 A135F114-P131 HydrophobicContact CB-CB 4.22Å; F114-P131 HydrophobicContact CD1-CB 4.06Å; N128-P131 WeakPolarHBondContact O-CD 3.43Å; P131-A135 WeakPolarHBondContact O-CB 3.43Å; P131-A135 PolarHBondContact O-N 2.9Å; P131-A135 VanDerWaalsContact O-N 3.08Å
132G97.3Very high95.8Very high0 Ų025.6 Ų25.60%014%0.143CC..Hα-helixtrans-66.6-37.6175.100000112.4L85 L129 M130 A135 A136L85-G132 WeakPolarHBondContact CD1-O 3.39Å; L129-G132 PolarHBondContact O-N 2.87Å; L129-G132 VanDerWaalsContact O-N 3.16Å; M130-G132 VanDerWaalsContact C-N 3.31Å; M130-G132 PolarHBondContact O-N 3.21Å; G132-A135 PolarHBondContact O-N 2.9Å; G132-A136 PolarHBondContact O-N 3.4Å; G132-A136 VanDerWaalsContact O-N 3.1Å
133Y97.6Very high96.2Very high10 Ų1023.8 Ų23.84%0.03913%0.134CC..Hα-helixtrans-66.7-40.8177.1-172.6-100.8000113L57 L129 M130 A135 A136 V141 K218 L221 D222 L227L57-Y133 HydrophobicContact CD2-CD2 4.03Å; L57-Y133 HydrophobicContact CD2-CG 4.48Å; L129-Y133 PolarHBondContact O-N 3.42Å; M130-Y133 PolarHBondContact O-N 2.91Å; M130-Y133 VanDerWaalsContact O-N 3.13Å; Y133-A135 VanDerWaalsContact C-N 3.31Å; Y133-A136 WeakPolarHBondContact O-CB 3.46Å; Y133-A136 PolarHBondContact O-N 2.9Å; Y133-V141 HydrophobicContact CD2-CG1 4.27Å; Y133-V141 HydrophobicContact CD2-CG2 4.48Å; Y133-V141 HydrophobicContact CE2-CG1 4.37Å; Y133-V141 HydrophobicContact CE2-CG2 4.23Å; Y133-K218 HydrophobicContact CE2-CG 4.22Å; Y133-L221 HydrophobicContact CE2-CD1 4.4Å; Y133-D222 WeakPolarHBondContact CE1-OD1 3.43Å; Y133-D222 VanDerWaalsContact CZ-OD1 3.32Å; Y133-D222 PolarHBondContact OH-OD1 2.91Å; Y133-L227 HydrophobicContact CD1-CB 4.46Å; Y133-L227 HydrophobicContact CD1-CD1 4.29Å; Y133-L227 HydrophobicContact CD1-CG 4.07Å; Y133-L227 HydrophobicContact CD2-CD1 3.52Å; Y133-L227 HydrophobicContact CD2-CD2 4.42Å; Y133-L227 HydrophobicContact CD2-CG 3.61Å; Y133-L227 HydrophobicContact CE1-CG 4.3Å; Y133-L227 HydrophobicContact CE2-CD1 4.25Å; Y133-L227 HydrophobicContact CE2-CD2 4.37Å; Y133-L227 HydrophobicContact CE2-CG 3.84Å; Y133-L227 HydrophobicContact CG-CB 4.49Å; Y133-L227 HydrophobicContact CG-CD1 3.54Å; Y133-L227 HydrophobicContact CG-CG 3.73Å
134E96.5Very high96.3Very high111 Ų11123.8 Ų23.852%0.51913%0.134SC..Hα-helixtrans-67-33.7176.1-69.6173.5179.800111.6K118 M130K118-E134 IonicContact NZ-OE1 3.68Å; K118-E134 PolarHBondContact NZ-OE1 3Å; K118-E134 IonicContact NZ-OE2 2.7Å; M130-E134 HydrophobicContact CE-CG 4.28Å; M130-E134 WeakPolarHBondContact CE-OE1 3.4Å; M130-E134 WeakPolarHBondContact O-CG 3.4Å; M130-E134 PolarHBondContact O-N 3.49Å
135A97.3Very high96.5Very high39 Ų3925.4 Ų25.432%0.32214%0.142SC..THydrogen-bonded Turntrans-85.2-0.517700000114.8F114 P131 G132 Y133 K137F114-A135 HydrophobicContact CD1-CB 4.45Å; F114-A135 HydrophobicContact CE1-CB 3.39Å; F114-A135 HydrophobicContact CZ-CB 3.52Å; P131-A135 WeakPolarHBondContact O-CB 3.43Å; P131-A135 PolarHBondContact O-N 2.9Å; P131-A135 VanDerWaalsContact O-N 3.08Å; G132-A135 PolarHBondContact O-N 2.9Å; Y133-A135 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.26Å
136A97.4Very high96.5Very high16 Ų1626.2 Ų26.213%0.13215%0.148CC..  trans-62.4121.1-177.800000111.5L85 G132 Y133 V141 K218L85-A136 HydrophobicContact CD1-CB 4.29Å; G132-A136 PolarHBondContact O-N 3.4Å; G132-A136 VanDerWaalsContact O-N 3.1Å; Y133-A136 WeakPolarHBondContact O-CB 3.46Å; Y133-A136 PolarHBondContact O-N 2.9Å; A136-V141 HydrophobicContact CB-CG2 4.28Å; A136-K218 HydrophobicContact CB-CD 4.25Å
137K95.6Very high96.5Very high125 Ų12527.3 Ų27.354%0.54316%0.16SC..  trans-82.6-24.5-173.5-55.5179.8-168.9172.40113.8S55 D110 A135S55-K137 PolarHBondContact OG-N 3.42Å; D110-K137 IonicContact OD1-NZ 2.75Å; D110-K137 PolarHBondContact OD1-NZ 3.32Å; D110-K137 IonicContact OD2-NZ 2.78Å; D110-K137 PolarHBondContact OD2-NZ 3.3Å; A135-K137 PolarHBondContact O-N 3.26Å
138Y97.1Very high96.6Very high69 Ų6926.9 Ų26.927%0.27116%0.158SC..SBendtrans-114.1160.6-169-59.1-68.5000112.9G53 V54 S55 L140G53-Y138 VanDerWaalsContact C-CG 3.44Å; G53-Y138 VanDerWaalsContact CA-CD1 3.5Å; G53-Y138 VanDerWaalsContact O-CB 3.32Å; G53-Y138 WeakPolarHBondContact O-CB 3.28Å; V54-Y138 WeakPolarHBondContact O-CD2 3.25Å; S55-Y138 PolarHBondContact OG-N 2.76Å; Y138-L140 PolarHBondContact O-N 3.48Å
139G95.9Very high96.6Very high52 Ų5231.6 Ų31.654%0.53618%0.175SC..SBendtrans-71.1-12.6178.300000114.6K218G139-K218 WeakPolarHBondContact O-CB 3.48Å; G139-K218 PolarHBondContact O-N 3.04Å
140L98Very high96.6Very high6 Ų632.2 Ų32.23%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-110.8137.2172.3-60.4-177.2000110.9L52 V54 S55 Y138 T159 M162 L215 M216 R217L52-L140 HydrophobicContact CB-CD1 3.83Å; L52-L140 HydrophobicContact CD1-CD1 3.92Å; L52-L140 HydrophobicContact CG-CD1 4.44Å; V54-L140 HydrophobicContact CG1-CB 4.49Å; V54-L140 HydrophobicContact CG2-CB 4.08Å; V54-L140 HydrophobicContact CG2-CD1 4.08Å; S55-L140 PolarHBondContact N-O 2.71Å; Y138-L140 PolarHBondContact O-N 3.48Å; L140-T159 HydrophobicContact CD1-CG2 4.42Å; L140-M162 HydrophobicContact CD1-CG 4.23Å; L140-M162 HydrophobicContact CD2-CE 4.25Å; L140-M162 HydrophobicContact CD2-CG 4.13Å; L140-M162 HydrophobicContact CD2-SD 4.47Å; L140-L215 HydrophobicContact CB-CD1 4.01Å; L140-L215 HydrophobicContact CD1-CD1 4.4Å; L140-L215 HydrophobicContact CD1-CD2 4.36Å; L140-M216 WeakPolarHBondContact CA-O 3.3Å; L140-R217 HydrophobicContact CD2-CG 3.9Å
141V98.2Very high96.5Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-119.9123.2178.91720000108.2S55 L57 Y133 A136 I143 M216 K218S55-V141 CarbonylContact O-C 3.58Å; S55-V141 WeakPolarHBondContact O-CA 3.48Å; L57-V141 HydrophobicContact CD1-CG1 3.73Å; L57-V141 HydrophobicContact CD2-CG1 3.96Å; L57-V141 HydrophobicContact CG-CG1 4.36Å; Y133-V141 HydrophobicContact CD2-CG1 4.27Å; Y133-V141 HydrophobicContact CD2-CG2 4.48Å; Y133-V141 HydrophobicContact CE2-CG1 4.37Å; Y133-V141 HydrophobicContact CE2-CG2 4.23Å; A136-V141 HydrophobicContact CB-CG2 4.28Å; V141-I143 HydrophobicContact CG1-CG1 4.03Å; V141-M216 PolarHBondContact N-O 3.35Å; V141-M216 PolarHBondContact O-N 3.28Å; V141-K218 HydrophobicContact CG2-CB 3.79Å; V141-K218 HydrophobicContact CG2-CD 3.93Å; V141-K218 HydrophobicContact CG2-CG 3.8Å
142W98.1Very high96.5Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-107.8106.6175.7-177.520.6000110V54 S55 L56 L57 F74 L77 C144 V150 T154 L155 L158 S213 C214 L215V54-W142 HydrophobicContact CG1-CB 3.74Å; S55-W142 PolarHBondContact O-N 3.18Å; L56-W142 CarbonylContact C-O 3.49Å; L56-W142 WeakPolarHBondContact CA-O 3.35Å; L56-W142 HydrophobicContact CB-CE3 4.35Å; L56-W142 HydrophobicContact CD1-CB 4.46Å; L56-W142 HydrophobicContact CD1-CD2 3.87Å; L56-W142 HydrophobicContact CD1-CE3 3.71Å; L56-W142 HydrophobicContact CD1-CG 4.21Å; L56-W142 HydrophobicContact CD1-CZ3 4.29Å; L56-W142 HydrophobicContact CG-CE3 4.47Å; L57-W142 PolarHBondContact N-O 3.16Å; F74-W142 AromaticContact CD1-CH2 3.97Å; F74-W142 HydrophobicContact CD1-CH2 3.97Å; F74-W142 AromaticContact CD1-CZ3 3.97Å; F74-W142 HydrophobicContact CD1-CZ3 3.97Å; F74-W142 AromaticContact CE1-CH2 3.52Å; F74-W142 HydrophobicContact CE1-CH2 3.52Å; F74-W142 AromaticContact CE1-CZ2 3.9Å; F74-W142 HydrophobicContact CE1-CZ2 3.9Å; F74-W142 AromaticContact CE1-CZ3 3.94Å; F74-W142 HydrophobicContact CE1-CZ3 3.94Å; L77-W142 HydrophobicContact CD1-CZ3 3.89Å; W142-C144 HydrophobicContact CZ2-CB 4.38Å; W142-V150 HydrophobicContact CH2-CG1 3.96Å; W142-V150 HydrophobicContact CH2-CG2 4.48Å; W142-V150 HydrophobicContact CZ2-CG1 4.06Å; W142-T154 HydrophobicContact CH2-CG2 4.24Å; W142-T154 HydrophobicContact CZ2-CG2 4.31Å; W142-L155 HydrophobicContact CD2-CD1 4.36Å; W142-L155 HydrophobicContact CE3-CD1 3.73Å; W142-L155 HydrophobicContact CZ3-CB 4.33Å; W142-L155 HydrophobicContact CZ3-CD1 3.99Å; W142-L155 HydrophobicContact CZ3-CD2 4.49Å; W142-L158 HydrophobicContact CD2-CD1 4.1Å; W142-L158 HydrophobicContact CH2-CD1 4.2Å; W142-L158 HydrophobicContact CZ2-CD1 3.62Å; W142-S213 PolarHBondContact NE1-OG 3.04Å; W142-C214 WeakPolarHBondContact CA-O 3.46Å; W142-L215 HydrophobicContact CB-CD1 3.81Å; W142-L215 HydrophobicContact CG-CD1 4.46Å
143I97.7Very high96.3Very high5 Ų541.6 Ų41.63%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-91123.9173.4-56-178.4000108L57 L129 V141 C214 M216 L227 M240L57-I143 HydrophobicContact CB-CG1 4.24Å; L57-I143 HydrophobicContact CD2-CG1 4.5Å; L129-I143 HydrophobicContact CD1-CD1 4.15Å; L129-I143 HydrophobicContact CD1-CG2 3.85Å; V141-I143 HydrophobicContact CG1-CG1 4.03Å; I143-C214 PolarHBondContact N-O 3.05Å; I143-C214 PolarHBondContact O-N 2.63Å; I143-M216 HydrophobicContact CB-CE 4.24Å; I143-M216 HydrophobicContact CD1-CE 3.71Å; I143-M216 HydrophobicContact CG1-CE 3.84Å; I143-L227 HydrophobicContact CD1-CD1 4.48Å; I143-L227 HydrophobicContact CD1-CD2 4.08Å; I143-M240 HydrophobicContact CD1-CE 4.35Å; I143-M240 HydrophobicContact CD1-SD 4.48Å
144C96.2Very high96.2Very high0 Ų041.7 Ų41.70%023%0.228CC..EExtended strand (participates in β ladder)trans-141.4124.5-175.8-171.10000111.9L56 L57 K58 P59 F74 W142 M212L56-C144 HydrophobicContact CD1-CB 3.96Å; L57-C144 PolarHBondContact O-N 3.49Å; K58-C144 VanDerWaalsContact CD-O 3.25Å; K58-C144 WeakPolarHBondContact CD-O 3.39Å; K58-C144 WeakPolarHBondContact CE-O 3.14Å; K58-C144 PolarHBondContact NZ-O 3.23Å; K58-C144 PolarHBondContact NZ-SG 3.12Å; P59-C144 WeakPolarHBondContact CD-O 3.38Å; F74-C144 HydrophobicContact CE1-CB 4.22Å; F74-C144 HydrophobicContact CZ-CB 4.42Å; F74-C144 VanDerWaalsContact CZ-SG 3.52Å; W142-C144 HydrophobicContact CZ2-CB 4.38Å; C144-M212 WeakPolarHBondContact CA-O 3.17Å
145D94.5Very high96.1Very high42 Ų4236.4 Ų36.423%0.22520%0.203CC..  trans-66.3149.2-176-75.3-16.4000112.6K58 K125 G147 I148 M212K58-D145 VanDerWaalsContact CE-O 3.26Å; K58-D145 WeakPolarHBondContact CE-O 3.24Å; K58-D145 PolarHBondContact NZ-O 2.91Å; K125-D145 WeakPolarHBondContact CE-OD1 3.46Å; K125-D145 IonicContact NZ-OD1 3.36Å; K125-D145 PolarHBondContact NZ-OD1 3.19Å; D145-G147 PolarHBondContact O-N 3.34Å; D145-G147 VanDerWaalsContact O-N 3.16Å; D145-I148 HydrophobicContact CB-CG1 4.2Å; D145-I148 WeakPolarHBondContact O-CB 3.35Å; D145-I148 PolarHBondContact O-N 3.01Å; D145-M212 PolarHBondContact N-O 3.05Å
146S93.4Very high95.9Very high26 Ų2636.4 Ų36.418%0.18220%0.199CC..THydrogen-bonded Turntrans-58.2-28.1-177.960.30000114.7I148S146-I148 VanDerWaalsContact C-N 3.27Å; S146-I148 PolarHBondContact O-N 3.32Å
147G94.5Very high95.7Very high23 Ų2336.1 Ų36.124%0.23720%0.195CC..THydrogen-bonded Turntrans-79.2-2.3177.800000114.7D145 Q260 N261D145-G147 PolarHBondContact O-N 3.34Å; D145-G147 VanDerWaalsContact O-N 3.16Å; G147-Q260 CarbonylContact O-C 3.6Å; G147-Q260 WeakPolarHBondContact O-CA 3.32Å; G147-N261 PolarHBondContact O-N 3.2Å
148I96.8Very high95.7Very high3 Ų330.2 Ų30.22%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-89.9131.5-179.2-57.6-58000111F74 D145 S146 V150 M212 L259 Q260F74-I148 WeakPolarHBondContact CE2-O 3.27Å; D145-I148 HydrophobicContact CB-CG1 4.2Å; D145-I148 WeakPolarHBondContact O-CB 3.35Å; D145-I148 PolarHBondContact O-N 3.01Å; S146-I148 VanDerWaalsContact C-N 3.27Å; S146-I148 PolarHBondContact O-N 3.32Å; I148-V150 HydrophobicContact CG2-CG1 4.04Å; I148-M212 HydrophobicContact CD1-CB 3.93Å; I148-M212 HydrophobicContact CD1-CG 4.24Å; I148-M212 HydrophobicContact CG1-CB 4.27Å; I148-M212 WeakPolarHBondContact CG1-O 3.38Å; I148-L259 WeakPolarHBondContact CA-O 3.17Å; I148-Q260 HydrophobicContact CD1-CB 4.29Å; I148-Q260 HydrophobicContact CD1-CG 3.52Å
149R96.8Very high95.5Very high102 Ų10227.7 Ų27.739%0.38516%0.161SC..EExtended strand (participates in β ladder)trans-103.6137.6170.4-171.3-178178.999.40.3109.3T73 L259 N261T73-R149 HydrophobicContact CG2-CG 3.74Å; R149-L259 PolarHBondContact N-O 3.48Å; R149-N261 HydrophobicContact CB-CB 4.02Å
150V96.5Very high95.3Very high14 Ų1427.7 Ų27.79%0.08515%0.149CC..  trans-121.4161.3-179-62.50000112T73 F74 L77 W142 I148 T154T73-V150 WeakPolarHBondContact CB-O 3.38Å; T73-V150 WeakPolarHBondContact OG1-CG2 3.3Å; T73-V150 PolarHBondContact OG1-N 3.09Å; F74-V150 HydrophobicContact CD1-CG2 3.98Å; F74-V150 HydrophobicContact CD2-CG2 4.35Å; F74-V150 HydrophobicContact CE1-CB 4.49Å; F74-V150 HydrophobicContact CE1-CG1 3.83Å; F74-V150 HydrophobicContact CE1-CG2 3.8Å; F74-V150 HydrophobicContact CE2-CG2 4.14Å; F74-V150 HydrophobicContact CG-CG2 4.27Å; F74-V150 HydrophobicContact CZ-CB 4.4Å; F74-V150 HydrophobicContact CZ-CG1 3.65Å; F74-V150 HydrophobicContact CZ-CG2 3.85Å; L77-V150 HydrophobicContact CD2-CG2 3.92Å; W142-V150 HydrophobicContact CH2-CG1 3.96Å; W142-V150 HydrophobicContact CH2-CG2 4.48Å; W142-V150 HydrophobicContact CZ2-CG1 4.06Å; I148-V150 HydrophobicContact CG2-CG1 4.04Å; V150-T154 HydrophobicContact CB-CG2 4.06Å; V150-T154 HydrophobicContact CG1-CG2 3.99Å
151K95.4Very high95.1Very high111 Ų11127.8 Ų27.848%0.48315%0.15SC..  trans-90.9158.6170.4-60.7-176.6-174.31740109.3D153 T154K151-D153 VanDerWaalsContact CB-OD1 3.27Å; K151-D153 WeakPolarHBondContact CB-OD1 3.26Å; K151-D153 PolarHBondContact O-N 2.81Å; K151-D153 VanDerWaalsContact O-N 3.14Å; K151-T154 PolarHBondContact N-OG1 3.08Å; K151-T154 WeakPolarHBondContact O-CB 3.47Å; K151-T154 PolarHBondContact O-N 3.41Å; K151-T154 PolarHBondContact O-OG1 3.19Å; K151-T154 VanDerWaalsContact O-OG1 3.06Å
152P95.6Very high94.9Very high71 Ų7128.3 Ų28.346%0.46115%0.152SC..THydrogen-bonded Turntrans-54.8-34.3178.9-27.836.1000113.7D78D78-P152 HydrophobicContact CB-CB 4.11Å; D78-P152 PolarHBondContact N-O 2.87Å
153D93.4Very high94.6Very high49 Ų4932.1 Ų32.126%0.26218%0.175SC..THydrogen-bonded Turntrans-912.1-178.565.5-17.2000114.2K151 L155 T156 D157 Q256K151-D153 VanDerWaalsContact CB-OD1 3.27Å; K151-D153 WeakPolarHBondContact CB-OD1 3.26Å; K151-D153 PolarHBondContact O-N 2.81Å; K151-D153 VanDerWaalsContact O-N 3.14Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 2.87Å; D153-T156 WeakPolarHBondContact O-CB 3.25Å; D153-T156 PolarHBondContact O-N 3.3Å; D153-T156 VanDerWaalsContact O-N 3.17Å; D153-D157 PolarHBondContact O-N 2.91Å; D153-Q256 PolarHBondContact OD1-NE2 2.77Å; D153-Q256 PolarHBondContact OD2-NE2 2.95Å
154T94.9Very high94.4Very high12 Ų1240.2 Ų40.27%0.07421%0.213CC..Hα-helixtrans-59.7-39.3-175.7-65.20000112.4W142 V150 K151 T156 D157 L158 Q256W142-T154 HydrophobicContact CH2-CG2 4.24Å; W142-T154 HydrophobicContact CZ2-CG2 4.31Å; V150-T154 HydrophobicContact CB-CG2 4.06Å; V150-T154 HydrophobicContact CG1-CG2 3.99Å; K151-T154 PolarHBondContact N-OG1 3.08Å; K151-T154 WeakPolarHBondContact O-CB 3.47Å; K151-T154 PolarHBondContact O-N 3.41Å; K151-T154 PolarHBondContact O-OG1 3.19Å; K151-T154 VanDerWaalsContact O-OG1 3.06Å; T154-T156 VanDerWaalsContact C-N 3.35Å; T154-D157 PolarHBondContact O-N 3.26Å; T154-L158 HydrophobicContact CG2-CD1 4.17Å; T154-L158 HydrophobicContact CG2-CG 4.49Å; T154-L158 WeakPolarHBondContact O-CG 3.22Å; T154-L158 PolarHBondContact O-N 3.47Å; T154-Q256 PolarHBondContact OG1-OE1 3.01Å
155L94.6Very high94.3Very high0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-70.4-34.5-179.7-170.853.5000112V54 L77 Y79 V82 W142 D153 L158 T159V54-L155 HydrophobicContact CB-CD1 4.31Å; V54-L155 HydrophobicContact CB-CD2 4.2Å; V54-L155 HydrophobicContact CG1-CD1 4.12Å; V54-L155 HydrophobicContact CG2-CD1 4.04Å; V54-L155 HydrophobicContact CG2-CD2 4.37Å; V54-L155 HydrophobicContact CG2-CG 4.45Å; L77-L155 HydrophobicContact CD1-CD2 4.38Å; Y79-L155 HydrophobicContact CD1-CD2 3.47Å; Y79-L155 VanDerWaalsContact CD1-CD2 3.47Å; Y79-L155 HydrophobicContact CD1-CG 4.02Å; Y79-L155 HydrophobicContact CD2-CB 4.1Å; Y79-L155 HydrophobicContact CD2-CD2 4.24Å; Y79-L155 HydrophobicContact CD2-CG 3.95Å; Y79-L155 HydrophobicContact CE1-CD2 4.02Å; Y79-L155 HydrophobicContact CE1-CG 4.3Å; Y79-L155 HydrophobicContact CE2-CG 4.23Å; Y79-L155 HydrophobicContact CG-CB 4.11Å; Y79-L155 HydrophobicContact CG-CD2 3.59Å; Y79-L155 HydrophobicContact CG-CG 3.82Å; V82-L155 HydrophobicContact CB-CD2 3.85Å; V82-L155 HydrophobicContact CG2-CD2 3.75Å; W142-L155 HydrophobicContact CD2-CD1 4.36Å; W142-L155 HydrophobicContact CE3-CD1 3.73Å; W142-L155 HydrophobicContact CZ3-CB 4.33Å; W142-L155 HydrophobicContact CZ3-CD1 3.99Å; W142-L155 HydrophobicContact CZ3-CD2 4.49Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-L155 PolarHBondContact O-N 2.87Å; L155-L158 HydrophobicContact CD1-CD1 4.38Å; L155-L158 PolarHBondContact O-N 3.19Å; L155-T159 HydrophobicContact CD1-CG2 4.26Å; L155-T159 HydrophobicContact CG-CG2 4.49Å; L155-T159 WeakPolarHBondContact O-CB 3.16Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.42Å; L155-T159 PolarHBondContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.16Å
156T93.3Very high94.3Very high39 Ų3945.7 Ų45.724%0.23924%0.236CC..Hα-helixtrans-62.5-43.7171-57.20000111D153 T154 T159 N160D153-T156 WeakPolarHBondContact O-CB 3.25Å; D153-T156 PolarHBondContact O-N 3.3Å; D153-T156 VanDerWaalsContact O-N 3.17Å; T154-T156 VanDerWaalsContact C-N 3.35Å; T156-T159 WeakPolarHBondContact CA-OG1 3.36Å; T156-T159 PolarHBondContact O-N 3.32Å; T156-T159 PolarHBondContact O-OG1 3.31Å; T156-N160 VanDerWaalsContact O-CB 3.28Å; T156-N160 WeakPolarHBondContact O-CB 3.3Å; T156-N160 PolarHBondContact O-N 2.91Å; T156-N160 PolarHBondContact O-ND2 3.07Å; T156-N160 VanDerWaalsContact O-ND2 3.11Å
157D93.4Very high94.4Very high9 Ų944.5 Ų44.55%0.04823%0.227CC..Hα-helixtrans-60.1-49174.2178.739.5000111.9D153 T154 T159 N160 Q161 A254 T255 Q256D153-D157 PolarHBondContact O-N 2.91Å; T154-D157 PolarHBondContact O-N 3.26Å; D157-T159 PolarHBondContact O-N 3.5Å; D157-N160 PolarHBondContact O-N 3.4Å; D157-Q161 WeakPolarHBondContact O-CG 3.35Å; D157-Q161 PolarHBondContact O-N 3.27Å; D157-A254 WeakPolarHBondContact OD2-CB 3.34Å; D157-T255 VanDerWaalsContact CG-OG1 3.29Å; D157-T255 PolarHBondContact OD1-N 3.46Å; D157-T255 PolarHBondContact OD1-OG1 3.49Å; D157-T255 VanDerWaalsContact OD1-OG1 3.06Å; D157-T255 PolarHBondContact OD2-N 3.36Å; D157-T255 PolarHBondContact OD2-OG1 3.38Å; D157-Q256 HydrophobicContact CB-CG 4.35Å; D157-Q256 PolarHBondContact OD2-N 2.98Å
158L94.8Very high94.5Very high2 Ų243.4 Ų43.41%0.0122%0.216CC..Hα-helixtrans-59.2-46179.3-70.7169.2000112.5W142 T154 L155 Q161 M162 V169 L215 A254W142-L158 HydrophobicContact CD2-CD1 4.1Å; W142-L158 HydrophobicContact CH2-CD1 4.2Å; W142-L158 HydrophobicContact CZ2-CD1 3.62Å; T154-L158 HydrophobicContact CG2-CD1 4.17Å; T154-L158 HydrophobicContact CG2-CG 4.49Å; T154-L158 WeakPolarHBondContact O-CG 3.22Å; T154-L158 PolarHBondContact O-N 3.47Å; L155-L158 HydrophobicContact CD1-CD1 4.38Å; L155-L158 PolarHBondContact O-N 3.19Å; L158-Q161 PolarHBondContact O-N 3.36Å; L158-M162 PolarHBondContact O-N 3.1Å; L158-V169 HydrophobicContact CD2-CB 4.47Å; L158-V169 HydrophobicContact CD2-CG1 3.68Å; L158-L215 HydrophobicContact CB-CB 4.45Å; L158-L215 HydrophobicContact CB-CD2 3.78Å; L158-A254 HydrophobicContact CD2-CB 3.78Å
159T94.1Very high94.4Very high15 Ų1543.3 Ų43.39%0.09222%0.215CC..Hα-helixtrans-70.8-31.8-178.652.20000112.2V54 Y79 L140 L155 T156 D157 Q161 M162 L215V54-T159 HydrophobicContact CG2-CG2 3.91Å; Y79-T159 HydrophobicContact CE2-CG2 4.28Å; L140-T159 HydrophobicContact CD1-CG2 4.42Å; L155-T159 HydrophobicContact CD1-CG2 4.26Å; L155-T159 HydrophobicContact CG-CG2 4.49Å; L155-T159 WeakPolarHBondContact O-CB 3.16Å; L155-T159 VanDerWaalsContact O-CG2 3.32Å; L155-T159 WeakPolarHBondContact O-CG2 3.42Å; L155-T159 PolarHBondContact O-N 3.13Å; L155-T159 PolarHBondContact O-OG1 3.16Å; T156-T159 WeakPolarHBondContact CA-OG1 3.36Å; T156-T159 PolarHBondContact O-N 3.32Å; T156-T159 PolarHBondContact O-OG1 3.31Å; D157-T159 PolarHBondContact O-N 3.5Å; T159-Q161 PolarHBondContact O-N 3.45Å; T159-M162 WeakPolarHBondContact O-CB 3.47Å; T159-M162 PolarHBondContact O-N 3.49Å; T159-L215 HydrophobicContact CG2-CD2 3.92Å
160N91.7Very high94.3Very high53 Ų5338.6 Ų38.628%0.28320%0.198SC..Hα-helixtrans-63.9-22.4171.2-77.8-27.3000113.7T156 D157T156-N160 VanDerWaalsContact O-CB 3.28Å; T156-N160 WeakPolarHBondContact O-CB 3.3Å; T156-N160 PolarHBondContact O-N 2.91Å; T156-N160 PolarHBondContact O-ND2 3.07Å; T156-N160 VanDerWaalsContact O-ND2 3.11Å; D157-N160 PolarHBondContact O-N 3.4Å
161Q92.6Very high94.2Very high8 Ų838.1 Ų38.14%0.03720%0.196CC..THydrogen-bonded Turntrans-87.1-12.3172.4-55.9-52.1-26.500113.1R41 D157 L158 T159 T163 V169 S252R41-Q161 VanDerWaalsContact CZ-NE2 3.33Å; R41-Q161 VanDerWaalsContact NH1-CD 3.33Å; R41-Q161 VanDerWaalsContact NH1-NE2 3.2Å; R41-Q161 VanDerWaalsContact NH2-OE1 3.17Å; D157-Q161 WeakPolarHBondContact O-CG 3.35Å; D157-Q161 PolarHBondContact O-N 3.27Å; L158-Q161 PolarHBondContact O-N 3.36Å; T159-Q161 PolarHBondContact O-N 3.45Å; Q161-T163 VanDerWaalsContact C-N 3.35Å; Q161-T163 PolarHBondContact O-N 3.08Å; Q161-V169 HydrophobicContact CB-CB 4.41Å; Q161-V169 HydrophobicContact CB-CG1 3.66Å; Q161-V169 HydrophobicContact CB-CG2 3.79Å; Q161-V169 HydrophobicContact CG-CG1 4.16Å; Q161-S252 PolarHBondContact OE1-OG 3.28Å
162M94.1Very high94.2Very high11 Ų1132.9 Ų32.95%0.05417%0.173CC..  trans-83.973.8-177.4-170.560.877.200111.2L140 L158 T159 V166 V169 L215 R217L140-M162 HydrophobicContact CD1-CG 4.23Å; L140-M162 HydrophobicContact CD2-CE 4.25Å; L140-M162 HydrophobicContact CD2-CG 4.13Å; L140-M162 HydrophobicContact CD2-SD 4.47Å; L158-M162 PolarHBondContact O-N 3.1Å; T159-M162 WeakPolarHBondContact O-CB 3.47Å; T159-M162 PolarHBondContact O-N 3.49Å; M162-V166 HydrophobicContact SD-CB 4.32Å; M162-V166 HydrophobicContact SD-CG1 3.96Å; M162-V169 HydrophobicContact CB-CG2 4.17Å; M162-V169 HydrophobicContact CE-CB 4.37Å; M162-V169 HydrophobicContact CE-CG2 3.73Å; M162-V169 HydrophobicContact SD-CG2 4.25Å; M162-L215 HydrophobicContact CE-CB 4.43Å; M162-L215 HydrophobicContact CE-CD2 3.97Å; M162-L215 HydrophobicContact CE-CG 3.81Å; M162-L215 WeakPolarHBondContact CE-O 3.4Å; M162-R217 HydrophobicContact SD-CG 4.1Å
163T92.9Very high94.2Very high79 Ų7929.5 Ų29.549%0.48515%0.151SC..  trans-74.7171.5173.673.20000112.1Q161 K165 V166 R217Q161-T163 VanDerWaalsContact C-N 3.35Å; Q161-T163 PolarHBondContact O-N 3.08Å; T163-K165 PolarHBondContact O-N 3.08Å; T163-K165 VanDerWaalsContact O-N 3.11Å; T163-V166 PolarHBondContact O-N 2.85Å; T163-V166 VanDerWaalsContact OG1-CG2 3.27Å; T163-V166 WeakPolarHBondContact OG1-CG2 3.37Å; T163-R217 PolarHBondContact O-NH2 2.93Å
164E92.3Very high94.4Very high176 Ų17627.4 Ų27.482%0.82214%0.139SC*.THydrogen-bonded Turntrans-57.8-23.8177.7-63.6179.5174.900114.5W249E164-W249 WeakPolarHBondContact O-CZ3 3.39Å
165K94.1Very high94.4Very high148 Ų14826.9 Ų26.964%0.64314%0.136SC*.THydrogen-bonded Turntrans-99.7-6.6179.8-61.8-177.5-178.3178.40113.3T163 K250T163-K165 PolarHBondContact O-N 3.08Å; T163-K165 VanDerWaalsContact O-N 3.11Å; K165-K250 WeakPolarHBondContact O-CB 3.32Å; K165-K250 PolarHBondContact O-N 2.98Å
166V95.1Very high94.4Very high9 Ų927.3 Ų27.36%0.05514%0.14CC..EExtended strand (participates in β ladder)trans-95.1126-177.6172.40000108.8M162 T163 L168 V169 R217 K250M162-V166 HydrophobicContact SD-CB 4.32Å; M162-V166 HydrophobicContact SD-CG1 3.96Å; T163-V166 PolarHBondContact O-N 2.85Å; T163-V166 VanDerWaalsContact OG1-CG2 3.27Å; T163-V166 WeakPolarHBondContact OG1-CG2 3.37Å; V166-L168 WeakPolarHBondContact CG1-O 3.42Å; V166-V169 HydrophobicContact CG1-CG2 3.71Å; V166-R217 PolarHBondContact O-NE 3.25Å; V166-K250 CarbonylContact C-O 3.54Å; V166-K250 WeakPolarHBondContact CA-O 3.27Å; V166-K250 HydrophobicContact CG2-CB 4.36Å
167G95.4Very high94.5Very high0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-101.9-19.2177.700000113.3M216 R217 K250G167-M216 WeakPolarHBondContact O-CA 3.49Å; G167-R217 PolarHBondContact O-N 3.46Å; G167-R217 VanDerWaalsContact O-N 3.12Å; G167-K250 PolarHBondContact N-O 3.33Å
168L96.1Very high94.5Very high1 Ų130.1 Ų30.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-145.9130.7-178.5-176.1157.3000110.3V166 H170 V209 L215 M216 A241 I244 F251 S252V166-L168 WeakPolarHBondContact CG1-O 3.42Å; L168-H170 HydrophobicContact CD2-CB 3.95Å; L168-V209 HydrophobicContact CD1-CG1 4.35Å; L168-V209 HydrophobicContact CD2-CG1 3.92Å; L168-V209 HydrophobicContact CD2-CG2 3.93Å; L168-L215 CarbonylContact C-O 3.54Å; L168-L215 WeakPolarHBondContact CA-O 3.44Å; L168-M216 HydrophobicContact CB-CG 4.15Å; L168-M216 HydrophobicContact CD1-CG 3.85Å; L168-M216 HydrophobicContact CD1-SD 3.96Å; L168-M216 HydrophobicContact CG-CG 3.78Å; L168-A241 HydrophobicContact CD1-CB 3.85Å; L168-I244 HydrophobicContact CB-CD1 4.15Å; L168-I244 HydrophobicContact CB-CG2 4.49Å; L168-I244 HydrophobicContact CD1-CD1 4Å; L168-F251 HydrophobicContact CB-CD1 3.79Å; L168-F251 HydrophobicContact CB-CE1 4.08Å; L168-F251 HydrophobicContact CD2-CD1 4.44Å; L168-F251 HydrophobicContact CD2-CG 4.49Å; L168-F251 WeakPolarHBondContact O-CA 3.41Å; L168-S252 PolarHBondContact O-N 2.88Å
169V95.9Very high94.4Very high0 Ų037.3 Ų37.30%019%0.186CC..EExtended strand (participates in β ladder)trans-115.8132.1169.3-178.10000109.2L158 Q161 M162 V166 C214 L215 S252L158-V169 HydrophobicContact CD2-CB 4.47Å; L158-V169 HydrophobicContact CD2-CG1 3.68Å; Q161-V169 HydrophobicContact CB-CB 4.41Å; Q161-V169 HydrophobicContact CB-CG1 3.66Å; Q161-V169 HydrophobicContact CB-CG2 3.79Å; Q161-V169 HydrophobicContact CG-CG1 4.16Å; M162-V169 HydrophobicContact CB-CG2 4.17Å; M162-V169 HydrophobicContact CE-CB 4.37Å; M162-V169 HydrophobicContact CE-CG2 3.73Å; M162-V169 HydrophobicContact SD-CG2 4.25Å; V166-V169 HydrophobicContact CG1-CG2 3.71Å; V169-C214 WeakPolarHBondContact O-CA 3.49Å; V169-L215 HydrophobicContact CB-CB 4.31Å; V169-L215 PolarHBondContact N-O 2.9Å; V169-L215 PolarHBondContact O-N 3.31Å; V169-S252 VanDerWaalsContact CA-O 3.25Å; V169-S252 WeakPolarHBondContact CA-O 3.4Å
170H94.8Very high94.4Very high4 Ų438.9 Ų38.92%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-130152.1179.662.781.8000112.6L168 Y198 V209 S213 S252 M253 A254L168-H170 HydrophobicContact CD2-CB 3.95Å; H170-Y198 AromaticContact CE1-CE1 3.34Å; H170-Y198 WeakPolarHBondContact CE1-CE1 3.3Å; H170-Y198 AromaticContact CE1-CZ 3.65Å; H170-Y198 PolarHBondContact CE1-OH 3.41Å; H170-Y198 AromaticContact ND1-CE1 3.4Å; H170-Y198 WeakPolarHBondContact ND1-CE1 3.22Å; H170-Y198 AromaticContact ND1-CZ 3.52Å; H170-Y198 PolarHBondContact ND1-OH 3.35Å; H170-V209 HydrophobicContact CB-CG1 3.94Å; H170-S213 WeakPolarHBondContact CA-O 3.46Å; H170-S252 PolarHBondContact N-O 3.2Å; H170-S252 VanDerWaalsContact N-O 3.09Å; H170-M253 CarbonylContact O-C 3.48Å; H170-M253 VanDerWaalsContact O-CA 3.32Å; H170-M253 WeakPolarHBondContact O-CA 3.46Å; H170-M253 WeakPolarHBondContact O-CG 3.38Å; H170-A254 PolarHBondContact O-N 3.45Å
171G93.3Very high94.6Very high4 Ų439.5 Ų39.54%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-86.2147.8170.500000112P173 S213G171-P173 WeakPolarHBondContact O-CD 3.37Å; G171-S213 PolarHBondContact N-O 2.88Å
172L95.7Very high94.8Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-66.7124.2167.9174.168.2000109.1L37 Y174 P195 Y198 I199 M253 V257 A258 V337L37-L172 HydrophobicContact CD1-CD2 3.64Å; L172-Y174 PolarHBondContact O-N 3.19Å; L172-P195 HydrophobicContact CD1-CB 4.25Å; L172-P195 HydrophobicContact CD1-CG 4.35Å; L172-P195 HydrophobicContact CD2-CB 4.32Å; L172-P195 HydrophobicContact CD2-CG 4.35Å; L172-Y198 HydrophobicContact CD1-CD1 3.56Å; L172-Y198 HydrophobicContact CD1-CE1 4.29Å; L172-Y198 HydrophobicContact CD1-CG 4.19Å; L172-I199 HydrophobicContact CD1-CD1 4.44Å; L172-I199 HydrophobicContact CD1-CG1 4.14Å; L172-I199 HydrophobicContact CD2-CD1 4.08Å; L172-M253 HydrophobicContact CB-SD 4.02Å; L172-V257 HydrophobicContact CB-CG1 4.35Å; L172-V257 HydrophobicContact CD2-CG1 4.26Å; L172-V257 CarbonylContact O-C 3.46Å; L172-V257 VanDerWaalsContact O-CA 3.3Å; L172-V257 WeakPolarHBondContact O-CA 3.43Å; L172-V257 WeakPolarHBondContact O-CB 3.45Å; L172-A258 PolarHBondContact O-N 2.72Å; L172-V337 HydrophobicContact CD2-CG1 4.04Å; L172-V337 HydrophobicContact CD2-CG2 4.25Å
173P95.9Very high94.8Very high0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-63.5127177.6-26.738.5000112.5G171 F190 H194 T210 M212G171-P173 WeakPolarHBondContact O-CD 3.37Å; P173-F190 HydrophobicContact CB-CD1 3.93Å; P173-F190 HydrophobicContact CB-CE1 3.88Å; P173-H194 WeakPolarHBondContact CG-NE2 3.42Å; P173-T210 WeakPolarHBondContact CG-OG1 3.29Å; P173-M212 HydrophobicContact CB-CE 3.38Å; P173-M212 HydrophobicContact CB-SD 3.95Å; P173-M212 HydrophobicContact CG-CE 3.25Å; P173-M212 HydrophobicContact CG-SD 4.33Å
174Y96.7Very high95Very high5 Ų536.3 Ų36.32%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-144.6170.9173.6-163.6-123000110.6L172 Q187 F190 V257 A258 L259 Q260 L334 V337 Q338L172-Y174 PolarHBondContact O-N 3.19Å; Y174-Q187 HydrophobicContact CE2-CG 4.16Å; Y174-Q187 WeakPolarHBondContact OH-CG 3.5Å; Y174-Q187 PolarHBondContact OH-NE2 2.82Å; Y174-F190 HydrophobicContact CD2-CB 4.02Å; Y174-F190 WeakPolarHBondContact CD2-O 3.35Å; Y174-V257 HydrophobicContact CD1-CG2 4.17Å; Y174-V257 HydrophobicContact CG-CG2 4.44Å; Y174-A258 PolarHBondContact N-O 3.12Å; Y174-A258 VanDerWaalsContact N-O 3.07Å; Y174-A258 VanDerWaalsContact O-O 3.06Å; Y174-L259 HydrophobicContact CD1-CD1 3.98Å; Y174-Q260 VanDerWaalsContact O-CB 3.3Å; Y174-Q260 WeakPolarHBondContact O-CB 3.26Å; Y174-Q260 VanDerWaalsContact O-CG 3.29Å; Y174-Q260 WeakPolarHBondContact O-CG 3.32Å; Y174-Q260 PolarHBondContact O-N 2.95Å; Y174-Q260 PolarHBondContact O-NE2 2.98Å; Y174-Q260 VanDerWaalsContact O-NE2 3.09Å; Y174-L334 HydrophobicContact CE2-CD1 4.48Å; Y174-V337 HydrophobicContact CD1-CG1 4.36Å; Y174-V337 HydrophobicContact CD2-CG1 3.46Å; Y174-V337 VanDerWaalsContact CD2-CG1 3.46Å; Y174-V337 HydrophobicContact CE1-CG1 4.5Å; Y174-V337 HydrophobicContact CE2-CB 4.44Å; Y174-V337 HydrophobicContact CE2-CG1 3.66Å; Y174-V337 HydrophobicContact CG-CG1 3.85Å; Y174-Q338 PolarHBondContact OH-OE1 2.9Å
175V95.9Very high95.3Very high1 Ų127.9 Ų27.91%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-115.8145.6179.8-62.90000110.5E186 Q187 F190 L259 Q260V175-E186 HydrophobicContact CG1-CB 4.4Å; V175-Q187 HydrophobicContact CG2-CB 3.56Å; V175-Q187 HydrophobicContact CG2-CG 3.8Å; V175-F190 HydrophobicContact CG1-CB 4.48Å; V175-F190 HydrophobicContact CG1-CD2 3.58Å; V175-F190 HydrophobicContact CG1-CE2 4.1Å; V175-F190 HydrophobicContact CG1-CG 4.2Å; V175-L259 WeakPolarHBondContact O-CD1 3.29Å; V175-Q260 CarbonylContact C-O 3.6Å; V175-Q260 WeakPolarHBondContact CA-O 3.34Å; V175-Q260 HydrophobicContact CG1-CB 4.21Å
176A95.2Very high95.4Very high9 Ų921.4 Ų21.47%0.07412%0.121CC..  trans-68153.5172.800000111R178 L259 Q260 N261A176-R178 WeakPolarHBondContact O-CG 3.4Å; A176-R178 PolarHBondContact O-N 3.34Å; A176-R178 PolarHBondContact O-NE 3.02Å; A176-L259 HydrophobicContact CB-CD1 4.31Å; A176-L259 HydrophobicContact CB-CD2 4.01Å; A176-L259 HydrophobicContact CB-CG 3.95Å; A176-Q260 PolarHBondContact N-O 3.43Å; A176-N261 HydrophobicContact CB-CB 3.86Å
177D94.7Very high95.5Very high88 Ų8821 Ų2147%0.47112%0.119SC..  trans-60.9119.6172.9-64.1-34.8000109.5Q187 Q338D177-Q187 PolarHBondContact OD1-NE2 3.31Å; D177-Q338 PolarHBondContact OD1-NE2 3.09Å; D177-Q338 PolarHBondContact OD2-NE2 3.37Å
178R93.4Very high95.6Very high19 Ų1921 Ų217%0.07212%0.119CC..  trans-137.3164.7-176.3-73.2176.8-62162.37.7109A176 A183 E186 S262 Y265A176-R178 WeakPolarHBondContact O-CG 3.4Å; A176-R178 PolarHBondContact O-N 3.34Å; A176-R178 PolarHBondContact O-NE 3.02Å; R178-A183 HydrophobicContact CB-CB 3.57Å; R178-E186 IonicContact CZ-OE2 3.69Å; R178-E186 IonicContact NH1-OE2 2.67Å; R178-E186 IonicContact NH2-OE2 2.61Å; R178-E186 PolarHBondContact NH2-OE2 3.28Å; R178-S262 WeakPolarHBondContact CD-O 3.49Å; R178-S262 PolarHBondContact NH1-O 3.26Å; R178-Y265 HydrophobicContact CB-CE1 4.24Å; R178-Y265 HydrophobicContact CB-CE2 4.36Å; R178-Y265 HydrophobicContact CG-CE1 4.24Å; R178-Y265 VanDerWaalsContact NH1-CD1 3.34Å
179Q92Very high95.7Very high154 Ų15421.9 Ų21.972%0.7212%0.122SC*.SBendtrans-94147.9-172-65.1-62.6-36.300112Y265Q179-Y265 PolarHBondContact N-OH 3.43Å; Q179-Y265 WeakPolarHBondContact O-CE2 3.34Å; Q179-Y265 PolarHBondContact O-OH 3.1Å
180G94.8Very high95.7Very high48 Ų4821.9 Ų21.950%0.49512%0.122SC..SBendtrans85.5163.8172.900000115.2A182 A183 T184G180-A182 VanDerWaalsContact C-N 3.33Å; G180-A182 PolarHBondContact O-N 2.84Å; G180-A183 WeakPolarHBondContact O-CB 3.4Å; G180-A183 PolarHBondContact O-N 2.69Å; G180-A183 VanDerWaalsContact O-N 3.09Å; G180-T184 PolarHBondContact O-N 3.47Å
181F96.1Very high95.9Very high66 Ų6621.7 Ų21.729%0.28912%0.121SC..Hα-helixtrans-64.5-31.8-168.8-172.8-101.7000114.3A183 T184 L185 I267 V351 A352 I355F181-A183 VanDerWaalsContact C-N 3.29Å; F181-A183 PolarHBondContact O-N 3.38Å; F181-T184 WeakPolarHBondContact O-CB 3.31Å; F181-T184 PolarHBondContact O-N 2.96Å; F181-L185 PolarHBondContact O-N 2.91Å; F181-I267 HydrophobicContact CD1-CD1 4.14Å; F181-I267 HydrophobicContact CE1-CD1 4.47Å; F181-V351 HydrophobicContact CE2-CB 4.19Å; F181-V351 HydrophobicContact CE2-CG1 3.97Å; F181-V351 HydrophobicContact CZ-CB 4.35Å; F181-V351 HydrophobicContact CZ-CG1 3.77Å; F181-A352 HydrophobicContact CE2-CB 3.96Å; F181-A352 HydrophobicContact CZ-CB 3.94Å; F181-I355 HydrophobicContact CE1-CD1 3.8Å; F181-I355 HydrophobicContact CZ-CD1 3.8Å
182A95.8Very high96.1Very high20 Ų2021.5 Ų21.517%0.16512%0.119CC..Hα-helixtrans-61.4-39175.100000111.9G180 L185 E186 Y265 I267G180-A182 VanDerWaalsContact C-N 3.33Å; G180-A182 PolarHBondContact O-N 2.84Å; A182-L185 PolarHBondContact O-N 3.3Å; A182-E186 PolarHBondContact O-N 2.85Å; A182-Y265 HydrophobicContact CB-CD2 4.25Å; A182-I267 HydrophobicContact CB-CG1 4.05Å
183A95.5Very high96Very high1 Ų121.7 Ų21.71%0.00812%0.121CC..Hα-helixtrans-65.8-43.6173.900000111.4R178 G180 F181 L185 E186 Q187 Y265R178-A183 HydrophobicContact CB-CB 3.57Å; G180-A183 WeakPolarHBondContact O-CB 3.4Å; G180-A183 PolarHBondContact O-N 2.69Å; G180-A183 VanDerWaalsContact O-N 3.09Å; F181-A183 VanDerWaalsContact C-N 3.29Å; F181-A183 PolarHBondContact O-N 3.38Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 2.67Å; A183-E186 PolarHBondContact O-N 3.17Å; A183-Q187 WeakPolarHBondContact O-CB 3.36Å; A183-Q187 PolarHBondContact O-N 2.85Å; A183-Y265 HydrophobicContact CB-CD2 4.18Å; A183-Y265 HydrophobicContact CB-CE2 3.75Å
184T97.3Very high96Very high9 Ų922.6 Ų22.66%0.05513%0.125CC..Hα-helixtrans-57-46.3175.4-55.20000111.5G180 F181 E186 Q187 V188 F344 D348 A352G180-T184 PolarHBondContact O-N 3.47Å; F181-T184 WeakPolarHBondContact O-CB 3.31Å; F181-T184 PolarHBondContact O-N 2.96Å; T184-E186 PolarHBondContact O-N 2.81Å; T184-Q187 PolarHBondContact O-N 2.94Å; T184-V188 HydrophobicContact CG2-CG2 4.32Å; T184-V188 WeakPolarHBondContact O-CG2 3.18Å; T184-V188 PolarHBondContact O-N 3.49Å; T184-F344 HydrophobicContact CG2-CB 4.11Å; T184-F344 HydrophobicContact CG2-CD1 3.73Å; T184-F344 HydrophobicContact CG2-CD2 3.86Å; T184-F344 HydrophobicContact CG2-CE1 4Å; T184-F344 HydrophobicContact CG2-CE2 4.15Å; T184-F344 HydrophobicContact CG2-CG 3.63Å; T184-F344 HydrophobicContact CG2-CZ 4.19Å; T184-D348 HydrophobicContact CG2-CB 4.11Å; T184-A352 HydrophobicContact CG2-CB 3.88Å
185L97.4Very high95.9Very high0 Ų022.3 Ų22.30%012%0.124CC..Hα-helixtrans-60.1-45.5179.3-177.465.4000112F181 A182 A183 Q187 V188 Y189 I267 F270 A352 I355 R356 M359F181-L185 PolarHBondContact O-N 2.91Å; A182-L185 PolarHBondContact O-N 3.3Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 2.67Å; L185-Q187 VanDerWaalsContact C-N 3.35Å; L185-V188 PolarHBondContact O-N 3.36Å; L185-Y189 PolarHBondContact O-N 2.65Å; L185-I267 HydrophobicContact CD2-CG1 4.23Å; L185-I267 HydrophobicContact CD2-CG2 3.99Å; L185-F270 HydrophobicContact CD2-CD1 3.94Å; L185-F270 HydrophobicContact CD2-CE1 4.21Å; L185-F270 HydrophobicContact CG-CD1 4.24Å; L185-F270 HydrophobicContact CG-CE1 4.16Å; L185-A352 HydrophobicContact CD1-CB 4.33Å; L185-A352 WeakPolarHBondContact CD1-O 3.36Å; L185-I355 HydrophobicContact CD1-CB 4.36Å; L185-I355 HydrophobicContact CD1-CG2 3.99Å; L185-I355 HydrophobicContact CD2-CG2 4.32Å; L185-R356 HydrophobicContact CD1-CB 3.97Å; L185-M359 HydrophobicContact CD2-CE 4.44Å; L185-M359 HydrophobicContact CD2-SD 4.39Å
186E96.6Very high95.9Very high11 Ų1122.4 Ų22.45%0.05112%0.124CC..Hα-helixtrans-61.9-43.4174.7-70.5-167.3-173.400111.7V175 R178 A182 A183 T184 V188 Y189 F190 F270V175-E186 HydrophobicContact CG1-CB 4.4Å; R178-E186 IonicContact CZ-OE2 3.69Å; R178-E186 IonicContact NH1-OE2 2.67Å; R178-E186 IonicContact NH2-OE2 2.61Å; R178-E186 PolarHBondContact NH2-OE2 3.28Å; A182-E186 PolarHBondContact O-N 2.85Å; A183-E186 PolarHBondContact O-N 3.17Å; T184-E186 PolarHBondContact O-N 2.81Å; E186-V188 PolarHBondContact O-N 3.33Å; E186-Y189 PolarHBondContact O-N 2.98Å; E186-F190 WeakPolarHBondContact O-CB 3.25Å; E186-F190 WeakPolarHBondContact O-CD2 3.29Å; E186-F190 PolarHBondContact O-N 2.81Å; E186-F270 HydrophobicContact CB-CD2 4.49Å; E186-F270 HydrophobicContact CG-CB 4.02Å; E186-F270 HydrophobicContact CG-CD2 3.59Å; E186-F270 HydrophobicContact CG-CE2 4.29Å; E186-F270 HydrophobicContact CG-CG 3.93Å
187Q97.1Very high95.8Very high1 Ų124 Ų241%0.00514%0.135CC..Hα-helixtrans-66.2-37.5-179.4-164.2165.711.200112.1Y174 V175 D177 A183 T184 L185 G191 F344Y174-Q187 HydrophobicContact CE2-CG 4.16Å; Y174-Q187 WeakPolarHBondContact OH-CG 3.5Å; Y174-Q187 PolarHBondContact OH-NE2 2.82Å; V175-Q187 HydrophobicContact CG2-CB 3.56Å; V175-Q187 HydrophobicContact CG2-CG 3.8Å; D177-Q187 PolarHBondContact OD1-NE2 3.31Å; A183-Q187 WeakPolarHBondContact O-CB 3.36Å; A183-Q187 PolarHBondContact O-N 2.85Å; T184-Q187 PolarHBondContact O-N 2.94Å; L185-Q187 VanDerWaalsContact C-N 3.35Å; Q187-G191 WeakPolarHBondContact O-CA 3.48Å; Q187-G191 PolarHBondContact O-N 3.34Å; Q187-F344 HydrophobicContact CB-CE1 4.1Å; Q187-F344 HydrophobicContact CG-CE1 3.97Å
188V97.9Very high95.8Very high0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-64-47.6172.1171.20000110.6T184 L185 E186 G191 T192 L334 F344 F349 A352 W353T184-V188 HydrophobicContact CG2-CG2 4.32Å; T184-V188 WeakPolarHBondContact O-CG2 3.18Å; T184-V188 PolarHBondContact O-N 3.49Å; L185-V188 PolarHBondContact O-N 3.36Å; E186-V188 PolarHBondContact O-N 3.33Å; V188-G191 PolarHBondContact O-N 2.85Å; V188-T192 HydrophobicContact CG1-CG2 4.21Å; V188-T192 VanDerWaalsContact O-CB 3.29Å; V188-T192 WeakPolarHBondContact O-CB 3.39Å; V188-T192 VanDerWaalsContact O-CG2 3.27Å; V188-T192 WeakPolarHBondContact O-CG2 3.26Å; V188-T192 PolarHBondContact O-N 3.38Å; V188-T192 PolarHBondContact O-OG1 3.01Å; V188-L334 HydrophobicContact CG2-CD2 4.46Å; V188-F344 HydrophobicContact CG2-CE2 4.49Å; V188-F344 HydrophobicContact CG2-CZ 4.19Å; V188-F349 HydrophobicContact CG1-CE2 4.25Å; V188-F349 HydrophobicContact CG2-CD2 3.73Å; V188-F349 HydrophobicContact CG2-CE2 4.17Å; V188-A352 HydrophobicContact CB-CB 4.27Å; V188-A352 HydrophobicContact CG2-CB 3.82Å; V188-W353 HydrophobicContact CG1-CB 4.18Å
189Y97.3Very high95.9Very high19 Ų1919.1 Ų19.18%0.07511%0.11CC..Hα-helixtrans-59.2-52177.2172.4-94.6000112.2L185 E186 G191 T192 S193 H194 F270 M274 R356L185-Y189 PolarHBondContact O-N 2.65Å; E186-Y189 PolarHBondContact O-N 2.98Å; Y189-G191 PolarHBondContact O-N 3.26Å; Y189-T192 PolarHBondContact O-N 3.5Å; Y189-S193 WeakPolarHBondContact CD2-OG 3.2Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.31Å; Y189-H194 HydrophobicContact CD1-CB 4.23Å; Y189-H194 HydrophobicContact CE1-CB 3.66Å; Y189-H194 HydrophobicContact CE2-CB 4.44Å; Y189-H194 PolarHBondContact O-N 3Å; Y189-F270 AromaticContact CD1-CE2 3.9Å; Y189-F270 HydrophobicContact CD1-CE2 3.9Å; Y189-F270 HydrophobicContact CD1-CZ 4.11Å; Y189-F270 HydrophobicContact CD2-CZ 4.09Å; Y189-F270 AromaticContact CG-CE2 3.92Å; Y189-F270 HydrophobicContact CG-CE2 3.92Å; Y189-F270 AromaticContact CG-CZ 3.65Å; Y189-F270 HydrophobicContact CG-CZ 3.65Å; Y189-M274 HydrophobicContact CD1-SD 4.17Å; Y189-M274 HydrophobicContact CD2-CE 4.32Å; Y189-M274 HydrophobicContact CE1-CE 3.96Å; Y189-M274 HydrophobicContact CE1-SD 3.59Å; Y189-M274 VanDerWaalsContact CE1-SD 3.59Å; Y189-M274 HydrophobicContact CE2-CE 3.42Å; Y189-M274 VanDerWaalsContact CE2-CE 3.42Å; Y189-M274 HydrophobicContact CE2-SD 4.04Å; Y189-M274 VanDerWaalsContact CZ-SD 3.53Å; Y189-M274 WeakPolarHBondContact OH-CE 3.43Å; Y189-R356 HydrophobicContact CD2-CG 4.24Å
190F97.1Very high96.1Very high0 Ų012 Ų120%08%0.077CC..Hα-helixtrans-72.9-11.1-179.5-79-71.5000113.9P173 Y174 V175 E186 H194 P195 W277P173-F190 HydrophobicContact CB-CD1 3.93Å; P173-F190 HydrophobicContact CB-CE1 3.88Å; Y174-F190 HydrophobicContact CD2-CB 4.02Å; Y174-F190 WeakPolarHBondContact CD2-O 3.35Å; V175-F190 HydrophobicContact CG1-CB 4.48Å; V175-F190 HydrophobicContact CG1-CD2 3.58Å; V175-F190 HydrophobicContact CG1-CE2 4.1Å; V175-F190 HydrophobicContact CG1-CG 4.2Å; E186-F190 WeakPolarHBondContact O-CB 3.25Å; E186-F190 WeakPolarHBondContact O-CD2 3.29Å; E186-F190 PolarHBondContact O-N 2.81Å; F190-H194 HydrophobicContact CD1-CB 4.45Å; F190-H194 AromaticContact CD1-CD2 3.63Å; F190-H194 AromaticContact CE1-CD2 3.86Å; F190-P195 WeakPolarHBondContact O-CD 3.31Å; F190-P195 WeakPolarHBondContact O-CG 3.5Å; F190-W277 HydrophobicContact CE1-CH2 4.09Å; F190-W277 AromaticContact CE1-CZ3 3.98Å; F190-W277 HydrophobicContact CE1-CZ3 3.98Å; F190-W277 AromaticContact CZ-CH2 3.95Å; F190-W277 HydrophobicContact CZ-CH2 3.95Å; F190-W277 AromaticContact CZ-CZ3 3.93Å; F190-W277 HydrophobicContact CZ-CZ3 3.93Å
191G97.4Very high95.9Very high0 Ų010.1 Ų10.10%06%0.057CC..Hα-helixtrans-102.8-9.7175.200000114.5Q187 V188 Y189 Q333 L334Q187-G191 WeakPolarHBondContact O-CA 3.48Å; Q187-G191 PolarHBondContact O-N 3.34Å; V188-G191 PolarHBondContact O-N 2.85Å; Y189-G191 PolarHBondContact O-N 3.26Å; G191-Q333 WeakPolarHBondContact O-CG 3.39Å; G191-L334 WeakPolarHBondContact O-CA 3.1Å; G191-L334 PolarHBondContact O-N 3.47Å
192T97.3Very high95.7Very high0 Ų08.6 Ų8.60%05%0.052CC..THydrogen-bonded Turntrans-122.5-93.5-174.762.30000111.9V188 Y189 H194 P195 R196 D330 L334 F349 R356V188-T192 HydrophobicContact CG1-CG2 4.21Å; V188-T192 VanDerWaalsContact O-CB 3.29Å; V188-T192 WeakPolarHBondContact O-CB 3.39Å; V188-T192 VanDerWaalsContact O-CG2 3.27Å; V188-T192 WeakPolarHBondContact O-CG2 3.26Å; V188-T192 PolarHBondContact O-N 3.38Å; V188-T192 PolarHBondContact O-OG1 3.01Å; Y189-T192 PolarHBondContact O-N 3.5Å; T192-H194 PolarHBondContact O-N 3.18Å; T192-P195 WeakPolarHBondContact O-CD 3.35Å; T192-R196 WeakPolarHBondContact O-CB 3.2Å; T192-R196 PolarHBondContact O-N 3.4Å; T192-D330 HydrophobicContact CG2-CB 3.7Å; T192-D330 WeakPolarHBondContact CG2-O 3.4Å; T192-L334 HydrophobicContact CG2-CB 4.05Å; T192-F349 HydrophobicContact CG2-CE2 4.32Å; T192-R356 PolarHBondContact OG1-NH2 3.06Å
193S94.7Very high95.6Very high4 Ų411 Ų113%0.0286%0.064CC..Hα-helixtrans-60.3-41-174.357.10000113.5Y189 R196 S197Y189-S193 WeakPolarHBondContact CD2-OG 3.2Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.31Å; S193-R196 PolarHBondContact O-N 2.83Å; S193-S197 PolarHBondContact O-N 2.9Å; S193-S197 VanDerWaalsContact O-N 3.14Å; S193-S197 PolarHBondContact O-OG 3.12Å
194H95.3Very high95.3Very high19 Ų1914.7 Ų14.79%0.0889%0.087CC..Hα-helixtrans-66.4-53-177.8-173.467000112.2P173 Y189 F190 T192 R196 S197 Y198P173-H194 WeakPolarHBondContact CG-NE2 3.42Å; Y189-H194 HydrophobicContact CD1-CB 4.23Å; Y189-H194 HydrophobicContact CE1-CB 3.66Å; Y189-H194 HydrophobicContact CE2-CB 4.44Å; Y189-H194 PolarHBondContact O-N 3Å; F190-H194 HydrophobicContact CD1-CB 4.45Å; F190-H194 AromaticContact CD1-CD2 3.63Å; F190-H194 AromaticContact CE1-CD2 3.86Å; T192-H194 PolarHBondContact O-N 3.18Å; H194-R196 VanDerWaalsContact C-N 3.32Å; H194-R196 PolarHBondContact O-N 3.34Å; H194-S197 PolarHBondContact O-N 3.33Å; H194-Y198 WeakPolarHBondContact O-CB 3.19Å; H194-Y198 PolarHBondContact O-N 2.84Å
195P95.9Very high94.7Very high0 Ų017 Ų170%011%0.113CC..Hα-helixtrans-55.5-41.3171.1-29.936.2000114.2L172 F190 T192 S197 Y198 I199 Q333 V337L172-P195 HydrophobicContact CD1-CB 4.25Å; L172-P195 HydrophobicContact CD1-CG 4.35Å; L172-P195 HydrophobicContact CD2-CB 4.32Å; L172-P195 HydrophobicContact CD2-CG 4.35Å; F190-P195 WeakPolarHBondContact O-CD 3.31Å; F190-P195 WeakPolarHBondContact O-CG 3.5Å; T192-P195 WeakPolarHBondContact O-CD 3.35Å; P195-S197 VanDerWaalsContact C-N 3.33Å; P195-S197 PolarHBondContact O-N 3.39Å; P195-Y198 PolarHBondContact O-N 3.09Å; P195-I199 HydrophobicContact CB-CD1 4.07Å; P195-I199 WeakPolarHBondContact O-CB 3.13Å; P195-I199 VanDerWaalsContact O-CG1 3.26Å; P195-I199 WeakPolarHBondContact O-CG1 3.17Å; P195-I199 PolarHBondContact O-N 3.07Å; P195-Q333 VanDerWaalsContact CB-NE2 3.26Å; P195-V337 HydrophobicContact CB-CG2 4.12Å; P195-V337 HydrophobicContact CG-CG2 4.06Å
196R96Very high94.1Very high2 Ų222.2 Ų22.21%0.00814%0.139CC..Hα-helixtrans-54.1-51.4179179.8176.863.4-123.30.5111.1M25 H26 T192 S193 H194 S200 E295 W326 D330M25-R196 HydrophobicContact CB-CG 4.21Å; H26-R196 PolarHBondContact CE1-NH1 3.31Å; T192-R196 WeakPolarHBondContact O-CB 3.2Å; T192-R196 PolarHBondContact O-N 3.4Å; S193-R196 PolarHBondContact O-N 2.83Å; H194-R196 VanDerWaalsContact C-N 3.32Å; H194-R196 PolarHBondContact O-N 3.34Å; R196-S200 WeakPolarHBondContact O-CB 3.26Å; R196-S200 PolarHBondContact O-N 3.36Å; R196-S200 PolarHBondContact O-OG 3Å; R196-E295 IonicContact NH2-OE1 3.62Å; R196-W326 VanDerWaalsContact CZ-CZ2 3.47Å; R196-W326 VanDerWaalsContact NH1-NE1 3.19Å; R196-D330 IonicContact NH1-OD1 2.93Å; R196-D330 PolarHBondContact NH1-OD1 3.28Å; R196-D330 IonicContact NH1-OD2 3.26Å; R196-D330 PolarHBondContact NH1-OD2 2.87Å
197S93.3Very high93.3Very high43 Ų4325.1 Ų25.130%0.30115%0.152SC..Hα-helixtrans-72.6-43.4179-61.60000112.5S193 H194 P195 S200 A201S193-S197 PolarHBondContact O-N 2.9Å; S193-S197 VanDerWaalsContact O-N 3.14Å; S193-S197 PolarHBondContact O-OG 3.12Å; H194-S197 PolarHBondContact O-N 3.33Å; P195-S197 VanDerWaalsContact C-N 3.33Å; P195-S197 PolarHBondContact O-N 3.39Å; S197-S200 PolarHBondContact O-N 2.86Å; S197-A201 WeakPolarHBondContact O-CB 3.33Å; S197-A201 PolarHBondContact O-N 2.84Å
198Y94.4Very high92.4Very high4 Ų427.7 Ų27.72%0.01617%0.169CC..Hα-helixtrans-66.9-43.9-175.4-165.2-95.3000112.8H170 L172 H194 P195 A201 N202 C208 T210 M253H170-Y198 AromaticContact CE1-CE1 3.34Å; H170-Y198 WeakPolarHBondContact CE1-CE1 3.3Å; H170-Y198 AromaticContact CE1-CZ 3.65Å; H170-Y198 PolarHBondContact CE1-OH 3.41Å; H170-Y198 AromaticContact ND1-CE1 3.4Å; H170-Y198 WeakPolarHBondContact ND1-CE1 3.22Å; H170-Y198 AromaticContact ND1-CZ 3.52Å; H170-Y198 PolarHBondContact ND1-OH 3.35Å; L172-Y198 HydrophobicContact CD1-CD1 3.56Å; L172-Y198 HydrophobicContact CD1-CE1 4.29Å; L172-Y198 HydrophobicContact CD1-CG 4.19Å; H194-Y198 WeakPolarHBondContact O-CB 3.19Å; H194-Y198 PolarHBondContact O-N 2.84Å; P195-Y198 PolarHBondContact O-N 3.09Å; Y198-A201 PolarHBondContact O-N 2.96Å; Y198-N202 PolarHBondContact O-N 2.96Å; Y198-N202 VanDerWaalsContact O-N 3.07Å; Y198-C208 VanDerWaalsContact CE2-O 3.31Å; Y198-C208 WeakPolarHBondContact CE2-O 2.87Å; Y198-T210 HydrophobicContact CE2-CG2 3.95Å; Y198-T210 PolarHBondContact OH-N 3.27Å; Y198-M253 HydrophobicContact CD1-CE 3.87Å; Y198-M253 HydrophobicContact CE1-CE 3.96Å
199I95.5Very high91.7Very high0 Ų027.9 Ų27.90%017%0.17CC..Hα-helixtrans-72-41178.4-63.9174.1000110.6Y32 V33 L172 P195 A201 N202 V203 M253Y32-I199 HydrophobicContact CD1-CD1 4.26Å; Y32-I199 HydrophobicContact CD1-CG1 4.42Å; Y32-I199 HydrophobicContact CD1-CG2 3.49Å; Y32-I199 VanDerWaalsContact CD1-CG2 3.49Å; Y32-I199 HydrophobicContact CD2-CG2 4.23Å; Y32-I199 HydrophobicContact CE1-CG2 4.27Å; Y32-I199 HydrophobicContact CG-CG2 3.48Å; Y32-I199 VanDerWaalsContact CG-CG2 3.48Å; V33-I199 HydrophobicContact CG2-CD1 3.42Å; V33-I199 VanDerWaalsContact CG2-CD1 3.42Å; L172-I199 HydrophobicContact CD1-CD1 4.44Å; L172-I199 HydrophobicContact CD1-CG1 4.14Å; L172-I199 HydrophobicContact CD2-CD1 4.08Å; P195-I199 HydrophobicContact CB-CD1 4.07Å; P195-I199 WeakPolarHBondContact O-CB 3.13Å; P195-I199 VanDerWaalsContact O-CG1 3.26Å; P195-I199 WeakPolarHBondContact O-CG1 3.17Å; P195-I199 PolarHBondContact O-N 3.07Å; I199-A201 VanDerWaalsContact C-N 3.27Å; I199-A201 PolarHBondContact O-N 3.03Å; I199-N202 WeakPolarHBondContact O-CB 3.33Å; I199-N202 PolarHBondContact O-N 2.9Å; I199-N202 VanDerWaalsContact O-N 3.14Å; I199-V203 HydrophobicContact CG2-CG2 4.21Å; I199-V203 WeakPolarHBondContact O-CG2 3.44Å; I199-V203 PolarHBondContact O-N 3.23Å; I199-M253 HydrophobicContact CG1-CE 4.12Å; I199-M253 HydrophobicContact CG1-SD 4.46Å
200S94.6Very high90.9Very high4 Ų428 Ų283%0.02817%0.173CC..Hα-helixtrans-59.2-41.2174.9-62.60000111.4M25 R196 S197 V203 T204M25-S200 WeakPolarHBondContact CA-OG 3.44Å; M25-S200 VanDerWaalsContact CB-OG 3.31Å; M25-S200 WeakPolarHBondContact CB-OG 3.05Å; M25-S200 WeakPolarHBondContact CG-OG 3.49Å; M25-S200 PolarHBondContact O-OG 3.1Å; R196-S200 WeakPolarHBondContact O-CB 3.26Å; R196-S200 PolarHBondContact O-N 3.36Å; R196-S200 PolarHBondContact O-OG 3Å; S197-S200 PolarHBondContact O-N 2.86Å; S200-V203 PolarHBondContact O-N 2.94Å; S200-T204 WeakPolarHBondContact O-CB 3.29Å; S200-T204 WeakPolarHBondContact O-CG2 3.32Å; S200-T204 PolarHBondContact O-N 3.5Å; S200-T204 PolarHBondContact O-OG1 2.78Å
201A91.7Very high89.9Confident9 Ų928.3 Ų28.37%0.07418%0.176CC..Hα-helixtrans-61-46.317400000111.6S197 Y198 I199 V203 T204 G205 I206 C208S197-A201 WeakPolarHBondContact O-CB 3.33Å; S197-A201 PolarHBondContact O-N 2.84Å; Y198-A201 PolarHBondContact O-N 2.96Å; I199-A201 VanDerWaalsContact C-N 3.27Å; I199-A201 PolarHBondContact O-N 3.03Å; A201-V203 PolarHBondContact O-N 2.81Å; A201-T204 PolarHBondContact O-N 3.28Å; A201-T204 PolarHBondContact O-OG1 3.39Å; A201-G205 CarbonylContact O-C 3.56Å; A201-G205 PolarHBondContact O-N 2.8Å; A201-I206 CarbonylContact C-O 3.47Å; A201-I206 HydrophobicContact CB-CB 3.94Å; A201-I206 HydrophobicContact CB-CG2 4.2Å; A201-I206 PolarHBondContact O-N 3.32Å; A201-C208 HydrophobicContact CB-CB 4Å
202N91.8Very high89.4Confident35 Ų3528.7 Ų28.719%0.18718%0.178CC..Hα-helixtrans-59.7-46.2176.5176.375.2000113Y32 Y198 I199 T204 G205 M253Y32-N202 PolarHBondContact OH-ND2 3.3Å; Y198-N202 PolarHBondContact O-N 2.96Å; Y198-N202 VanDerWaalsContact O-N 3.07Å; I199-N202 WeakPolarHBondContact O-CB 3.33Å; I199-N202 PolarHBondContact O-N 2.9Å; I199-N202 VanDerWaalsContact O-N 3.14Å; N202-T204 PolarHBondContact O-N 3.18Å; N202-G205 PolarHBondContact O-N 3.42Å; N202-M253 HydrophobicContact CB-CE 3.46Å; N202-M253 VanDerWaalsContact CB-CE 3.46Å
203V92.7Very high89.3Confident71 Ų7129 Ų2943%0.4318%0.18SC..Hα-helixtrans-67-36.5-179172.50000111.9M28 Y32 I199 S200 A201 G205M28-V203 HydrophobicContact SD-CG1 4.21Å; Y32-V203 HydrophobicContact CD2-CG2 3.6Å; Y32-V203 HydrophobicContact CE2-CG2 4.15Å; Y32-V203 HydrophobicContact CG-CG2 4.26Å; I199-V203 HydrophobicContact CG2-CG2 4.21Å; I199-V203 WeakPolarHBondContact O-CG2 3.44Å; I199-V203 PolarHBondContact O-N 3.23Å; S200-V203 PolarHBondContact O-N 2.94Å; A201-V203 PolarHBondContact O-N 2.81Å; V203-G205 VanDerWaalsContact C-N 3.32Å
204T90.6Very high89.4Confident78 Ų7829 Ų2948%0.47918%0.18SC..Hα-helixtrans-85.5-2.7179.356.60000113.5M28 S200 A201 N202 I206M28-T204 HydrophobicContact CE-CG2 4.36Å; M28-T204 HydrophobicContact SD-CG2 4.45Å; S200-T204 WeakPolarHBondContact O-CB 3.29Å; S200-T204 WeakPolarHBondContact O-CG2 3.32Å; S200-T204 PolarHBondContact O-N 3.5Å; S200-T204 PolarHBondContact O-OG1 2.78Å; A201-T204 PolarHBondContact O-N 3.28Å; A201-T204 PolarHBondContact O-OG1 3.39Å; N202-T204 PolarHBondContact O-N 3.18Å; T204-I206 VanDerWaalsContact C-N 3.28Å; T204-I206 PolarHBondContact O-N 2.8Å; T204-I206 WeakPolarHBondContact OG1-CD1 3.48Å
205G84Confident89.5Confident58 Ų5828.1 Ų28.160%0.59818%0.176SC*.THydrogen-bonded Turntrans75.612.1-178.100000114.4A201 N202 V203 K207A201-G205 CarbonylContact O-C 3.56Å; A201-G205 PolarHBondContact O-N 2.8Å; N202-G205 PolarHBondContact O-N 3.42Å; V203-G205 VanDerWaalsContact C-N 3.32Å; G205-K207 PolarHBondContact O-N 3Å
206I84.4Confident89.6Confident109 Ų10928.2 Ų28.256%0.55918%0.176SC*.  trans-69.5125.3171.8-63.6166.4000108.8A201 T204 C208A201-I206 CarbonylContact C-O 3.47Å; A201-I206 HydrophobicContact CB-CB 3.94Å; A201-I206 HydrophobicContact CB-CG2 4.2Å; A201-I206 PolarHBondContact O-N 3.32Å; T204-I206 VanDerWaalsContact C-N 3.28Å; T204-I206 PolarHBondContact O-N 2.8Å; T204-I206 WeakPolarHBondContact OG1-CD1 3.48Å; I206-C208 VanDerWaalsContact C-N 3.34Å; I206-C208 PolarHBondContact O-N 3.26Å
207K81Confident89.6Confident72 Ų7230.3 Ų30.331%0.31318%0.184SC..  trans-76.677.5-174.1-57.2163.9-176.4-161.20110.8G205 Y238 A245 D246 F251G205-K207 PolarHBondContact O-N 3Å; K207-Y238 WeakPolarHBondContact O-CE2 3.45Å; K207-A245 HydrophobicContact CD-CB 3.46Å; K207-A245 VanDerWaalsContact CD-CB 3.46Å; K207-A245 HydrophobicContact CG-CB 3.83Å; K207-A245 PolarHBondContact NZ-O 2.83Å; K207-D246 IonicContact NZ-OD1 2.95Å; K207-D246 PolarHBondContact NZ-OD1 2.9Å; K207-F251 HydrophobicContact CB-CE2 3.79Å; K207-F251 HydrophobicContact CB-CZ 4.38Å; K207-F251 HydrophobicContact CG-CE2 4Å; K207-F251 HydrophobicContact CG-CZ 4.37Å
208C77Confident89.8Confident54 Ų5430.2 Ų30.237%0.36518%0.179SC..  trans-123.896.8177.5-167.40000109.8Y198 A201 I206Y198-C208 VanDerWaalsContact CE2-O 3.31Å; Y198-C208 WeakPolarHBondContact CE2-O 2.87Å; A201-C208 HydrophobicContact CB-CB 4Å; I206-C208 VanDerWaalsContact C-N 3.34Å; I206-C208 PolarHBondContact O-N 3.26Å
209V83.4Confident90Very high5 Ų533.6 Ų33.63%0.0320%0.197CC..  trans-116.7137.1-178.9177.20000109.2L168 H170 C214 A241 F251L168-V209 HydrophobicContact CD1-CG1 4.35Å; L168-V209 HydrophobicContact CD2-CG1 3.92Å; L168-V209 HydrophobicContact CD2-CG2 3.93Å; H170-V209 HydrophobicContact CB-CG1 3.94Å; V209-C214 VanDerWaalsContact CG1-SG 3.6Å; V209-A241 HydrophobicContact CB-CB 3.78Å; V209-A241 HydrophobicContact CG1-CB 4.49Å; V209-A241 HydrophobicContact CG2-CB 3.79Å; V209-F251 HydrophobicContact CG2-CD2 3.73Å; V209-F251 HydrophobicContact CG2-CE2 3.74Å; V209-F251 HydrophobicContact CG2-CG 4.49Å
210T81.2Confident90Very high22 Ų2233.6 Ų33.614%0.13520%0.197CC..  trans-108.6130.4170.955.40000110.8P173 Y198 M212P173-T210 WeakPolarHBondContact CG-OG1 3.29Å; Y198-T210 HydrophobicContact CE2-CG2 3.95Å; Y198-T210 PolarHBondContact OH-N 3.27Å; T210-M212 HydrophobicContact CG2-CE 4.38Å; T210-M212 PolarHBondContact O-N 2.94Å; T210-M212 WeakPolarHBondContact OG1-CE 3.46Å
211G75Confident90.1Very high6 Ų633.4 Ų33.46%0.06220%0.195CC..THydrogen-bonded Turntrans-78.222-165.500000117.1D237G211-D237 WeakPolarHBondContact CA-OD2 3.5Å; G211-D237 PolarHBondContact N-OD2 3.25Å
212M88.1Confident90.4Very high8 Ų836.1 Ų36.14%0.03921%0.209CC..THydrogen-bonded Turntrans-67.6-39.7179.1-83.5168.4-83.900111.6C144 D145 I148 P173 T210 A258 Q260 W277C144-M212 WeakPolarHBondContact CA-O 3.17Å; D145-M212 PolarHBondContact N-O 3.05Å; I148-M212 HydrophobicContact CD1-CB 3.93Å; I148-M212 HydrophobicContact CD1-CG 4.24Å; I148-M212 HydrophobicContact CG1-CB 4.27Å; I148-M212 WeakPolarHBondContact CG1-O 3.38Å; P173-M212 HydrophobicContact CB-CE 3.38Å; P173-M212 HydrophobicContact CB-SD 3.95Å; P173-M212 HydrophobicContact CG-CE 3.25Å; P173-M212 HydrophobicContact CG-SD 4.33Å; T210-M212 HydrophobicContact CG2-CE 4.38Å; T210-M212 PolarHBondContact O-N 2.94Å; T210-M212 WeakPolarHBondContact OG1-CE 3.46Å; M212-A258 HydrophobicContact CB-CB 4.48Å; M212-Q260 HydrophobicContact SD-CG 3.83Å; M212-W277 HydrophobicContact CE-CH2 3.64Å; M212-W277 HydrophobicContact CE-CZ2 4.19Å; M212-W277 HydrophobicContact SD-CH2 4.41Å
213S94.7Very high90.6Very high6 Ų640.1 Ų40.14%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-151.3107.4176.2-179.50000108.9W142 H170 G171W142-S213 PolarHBondContact NE1-OG 3.04Å; H170-S213 WeakPolarHBondContact CA-O 3.46Å; G171-S213 PolarHBondContact N-O 2.88Å
214C95.9Very high90.8Very high5 Ų537.3 Ų37.33%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-134.6114-176.1-71.90000110.7W142 I143 V169 V209 M216W142-C214 WeakPolarHBondContact CA-O 3.46Å; I143-C214 PolarHBondContact N-O 3.05Å; I143-C214 PolarHBondContact O-N 2.63Å; V169-C214 WeakPolarHBondContact O-CA 3.49Å; V209-C214 VanDerWaalsContact CG1-SG 3.6Å; C214-M216 HydrophobicContact CB-CE 3.98Å; C214-M216 HydrophobicContact CB-SD 4.35Å
215L97.8Very high91Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-93.2122.7170.9178.272.8000108.5V54 L140 W142 L158 T159 M162 L168 V169V54-L215 HydrophobicContact CG1-CD1 3.61Å; V54-L215 HydrophobicContact CG2-CD1 4.15Å; L140-L215 HydrophobicContact CB-CD1 4.01Å; L140-L215 HydrophobicContact CD1-CD1 4.4Å; L140-L215 HydrophobicContact CD1-CD2 4.36Å; W142-L215 HydrophobicContact CB-CD1 3.81Å; W142-L215 HydrophobicContact CG-CD1 4.46Å; L158-L215 HydrophobicContact CB-CB 4.45Å; L158-L215 HydrophobicContact CB-CD2 3.78Å; T159-L215 HydrophobicContact CG2-CD2 3.92Å; M162-L215 HydrophobicContact CE-CB 4.43Å; M162-L215 HydrophobicContact CE-CD2 3.97Å; M162-L215 HydrophobicContact CE-CG 3.81Å; M162-L215 WeakPolarHBondContact CE-O 3.4Å; L168-L215 CarbonylContact C-O 3.54Å; L168-L215 WeakPolarHBondContact CA-O 3.44Å; V169-L215 HydrophobicContact CB-CB 4.31Å; V169-L215 PolarHBondContact N-O 2.9Å; V169-L215 PolarHBondContact O-N 3.31Å
216M97.6Very high91.6Very high1 Ų133.6 Ų33.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-132.1154.6-172.5-68.2166.4-69.700111.2L140 V141 I143 G167 L168 C214 L221 M240 I244L140-M216 WeakPolarHBondContact CA-O 3.3Å; V141-M216 PolarHBondContact N-O 3.35Å; V141-M216 PolarHBondContact O-N 3.28Å; I143-M216 HydrophobicContact CB-CE 4.24Å; I143-M216 HydrophobicContact CD1-CE 3.71Å; I143-M216 HydrophobicContact CG1-CE 3.84Å; G167-M216 WeakPolarHBondContact O-CA 3.49Å; L168-M216 HydrophobicContact CB-CG 4.15Å; L168-M216 HydrophobicContact CD1-CG 3.85Å; L168-M216 HydrophobicContact CD1-SD 3.96Å; L168-M216 HydrophobicContact CG-CG 3.78Å; C214-M216 HydrophobicContact CB-CE 3.98Å; C214-M216 HydrophobicContact CB-SD 4.35Å; M216-L221 HydrophobicContact CB-CD1 3.75Å; M216-L221 HydrophobicContact CB-CG 4.27Å; M216-L221 HydrophobicContact CE-CD1 4.12Å; M216-L221 HydrophobicContact CG-CD1 4.45Å; M216-L221 HydrophobicContact SD-CD1 3.97Å; M216-L221 HydrophobicContact SD-CD2 4.16Å; M216-L221 HydrophobicContact SD-CG 4.48Å; M216-M240 HydrophobicContact CE-CE 4.43Å; M216-M240 HydrophobicContact SD-SD 4.41Å; M216-I244 HydrophobicContact CB-CD1 4.43Å; M216-I244 HydrophobicContact CG-CD1 4.02Å; M216-I244 HydrophobicContact SD-CD1 4.13Å
217R97.7Very high92.1Very high46 Ų4628.4 Ų28.417%0.17416%0.161CC..EExtended strand (participates in β ladder)trans-75.8121.3169.1-71.2-172.6-178.8-82.5-4.3110.2L140 M162 T163 V166 G167 D219 V220 L221L140-R217 HydrophobicContact CD2-CG 3.9Å; M162-R217 HydrophobicContact SD-CG 4.1Å; T163-R217 PolarHBondContact O-NH2 2.93Å; V166-R217 PolarHBondContact O-NE 3.25Å; G167-R217 PolarHBondContact O-N 3.46Å; G167-R217 VanDerWaalsContact O-N 3.12Å; R217-D219 WeakPolarHBondContact CB-OD1 3.4Å; R217-V220 HydrophobicContact CB-CB 3.99Å; R217-V220 HydrophobicContact CB-CG2 3.6Å; R217-V220 HydrophobicContact CG-CG2 4.43Å; R217-V220 PolarHBondContact O-N 3.19Å; R217-L221 PolarHBondContact O-N 2.85Å; R217-L221 VanDerWaalsContact O-N 3.12Å
218K97.3Very high92.8Very high42 Ų4228.3 Ų28.318%0.18317%0.166CC..Hα-helixtrans-65.8-43.4-176-169.5-179.8175.1-67.20111.7Y133 A136 G139 V141 V220 L221 D222Y133-K218 HydrophobicContact CE2-CG 4.22Å; A136-K218 HydrophobicContact CB-CD 4.25Å; G139-K218 WeakPolarHBondContact O-CB 3.48Å; G139-K218 PolarHBondContact O-N 3.04Å; V141-K218 HydrophobicContact CG2-CB 3.79Å; V141-K218 HydrophobicContact CG2-CD 3.93Å; V141-K218 HydrophobicContact CG2-CG 3.8Å; K218-V220 VanDerWaalsContact C-N 3.29Å; K218-V220 PolarHBondContact O-N 2.99Å; K218-L221 CarbonylContact O-C 3.34Å; K218-L221 WeakPolarHBondContact O-CB 3.25Å; K218-L221 PolarHBondContact O-N 2.91Å; K218-L221 VanDerWaalsContact O-N 3.16Å; K218-D222 IonicContact NZ-OD1 2.77Å; K218-D222 IonicContact NZ-OD2 2.98Å; K218-D222 PolarHBondContact NZ-OD2 3.4Å; K218-D222 WeakPolarHBondContact O-CB 3.33Å; K218-D222 VanDerWaalsContact O-CG 3.27Å; K218-D222 PolarHBondContact O-N 3.08Å
219D97.3Very high93.7Very high74 Ų7427.4 Ų27.440%0.39616%0.163SC..Hα-helixtrans-59.3-39.6177.363.1-39.1000112R217 D222 Q223R217-D219 WeakPolarHBondContact CB-OD1 3.4Å; D219-D222 PolarHBondContact O-N 3.19Å; D219-Q223 WeakPolarHBondContact O-CB 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.1Å; D219-Q223 PolarHBondContact O-N 3.4Å
220V97.1Very high94.3Very high0 Ų027.6 Ų27.60%016%0.163CC..Hα-helixtrans-67.4-40.7175.9-1760000111.5R217 K218 A224 I244 W249R217-V220 HydrophobicContact CB-CB 3.99Å; R217-V220 HydrophobicContact CB-CG2 3.6Å; R217-V220 HydrophobicContact CG-CG2 4.43Å; R217-V220 PolarHBondContact O-N 3.19Å; K218-V220 VanDerWaalsContact C-N 3.29Å; K218-V220 PolarHBondContact O-N 2.99Å; V220-A224 PolarHBondContact O-N 2.99Å; V220-I244 HydrophobicContact CG1-CB 4.36Å; V220-I244 HydrophobicContact CG1-CG1 3.95Å; V220-I244 HydrophobicContact CG1-CG2 4.19Å; V220-W249 HydrophobicContact CG1-CG 4.16Å; V220-W249 HydrophobicContact CG2-CD2 4.02Å; V220-W249 HydrophobicContact CG2-CG 4.47Å; V220-W249 HydrophobicContact CG2-CH2 4.22Å; V220-W249 HydrophobicContact CG2-CZ2 3.48Å; V220-W249 VanDerWaalsContact CG2-CZ2 3.48Å
221L96.6Very high94.9Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-64.5-41.7173.2-75.6174.4000111.7Y133 M216 R217 K218 A224 G225 G226 M240 I244Y133-L221 HydrophobicContact CE2-CD1 4.4Å; M216-L221 HydrophobicContact CB-CD1 3.75Å; M216-L221 HydrophobicContact CB-CG 4.27Å; M216-L221 HydrophobicContact CE-CD1 4.12Å; M216-L221 HydrophobicContact CG-CD1 4.45Å; M216-L221 HydrophobicContact SD-CD1 3.97Å; M216-L221 HydrophobicContact SD-CD2 4.16Å; M216-L221 HydrophobicContact SD-CG 4.48Å; R217-L221 PolarHBondContact O-N 2.85Å; R217-L221 VanDerWaalsContact O-N 3.12Å; K218-L221 CarbonylContact O-C 3.34Å; K218-L221 WeakPolarHBondContact O-CB 3.25Å; K218-L221 PolarHBondContact O-N 2.91Å; K218-L221 VanDerWaalsContact O-N 3.16Å; L221-A224 CarbonylContact O-C 3.49Å; L221-A224 VanDerWaalsContact O-CA 3.31Å; L221-A224 WeakPolarHBondContact O-CA 3.44Å; L221-A224 VanDerWaalsContact O-CB 3.32Å; L221-A224 WeakPolarHBondContact O-CB 3.47Å; L221-A224 PolarHBondContact O-N 2.91Å; L221-G225 PolarHBondContact O-N 2.97Å; L221-G226 WeakPolarHBondContact O-CA 3.44Å; L221-G226 PolarHBondContact O-N 3.35Å; L221-M240 HydrophobicContact CD2-CB 4.22Å; L221-M240 HydrophobicContact CD2-CG 4.14Å; L221-M240 HydrophobicContact CD2-SD 4.17Å; L221-I244 HydrophobicContact CD2-CD1 3.89Å; L221-I244 HydrophobicContact CD2-CG1 4.27Å; L221-I244 HydrophobicContact CG-CD1 4.39Å
222D97.1Very high95.8Very high66 Ų6630.7 Ų30.735%0.35318%0.175SC..Hα-helixtrans-64.3-41.4177.9-71.7-23.3000111.2Y133 K218 D219 A224 G225Y133-D222 WeakPolarHBondContact CE1-OD1 3.43Å; Y133-D222 VanDerWaalsContact CZ-OD1 3.32Å; Y133-D222 PolarHBondContact OH-OD1 2.91Å; K218-D222 IonicContact NZ-OD1 2.77Å; K218-D222 IonicContact NZ-OD2 2.98Å; K218-D222 PolarHBondContact NZ-OD2 3.4Å; K218-D222 WeakPolarHBondContact O-CB 3.33Å; K218-D222 VanDerWaalsContact O-CG 3.27Å; K218-D222 PolarHBondContact O-N 3.08Å; D219-D222 PolarHBondContact O-N 3.19Å; D222-A224 PolarHBondContact O-N 3.3Å; D222-G225 PolarHBondContact O-N 3.25Å
223Q96.7Very high96Very high119 Ų11932.4 Ų32.456%0.55618%0.181SC*.THydrogen-bonded Turntrans-63.3-17.6170.4-70.2167.433.900113.3D219 G225 R247D219-Q223 WeakPolarHBondContact O-CB 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.1Å; D219-Q223 PolarHBondContact O-N 3.4Å; Q223-G225 VanDerWaalsContact C-N 3.33Å; Q223-R247 PolarHBondContact O-NE 3.22Å; Q223-R247 PolarHBondContact O-NH2 2.94Å
224A95.8Very high95.8Very high13 Ų1332.6 Ų32.611%0.10718%0.182CC..THydrogen-bonded Turntrans-89.25.9171.300000114.3V220 L221 D222 A229 F230 A243V220-A224 PolarHBondContact O-N 2.99Å; L221-A224 CarbonylContact O-C 3.49Å; L221-A224 VanDerWaalsContact O-CA 3.31Å; L221-A224 WeakPolarHBondContact O-CA 3.44Å; L221-A224 VanDerWaalsContact O-CB 3.32Å; L221-A224 WeakPolarHBondContact O-CB 3.47Å; L221-A224 PolarHBondContact O-N 2.91Å; D222-A224 PolarHBondContact O-N 3.3Å; A224-A229 WeakPolarHBondContact O-CB 3.05Å; A224-F230 HydrophobicContact CB-CE2 4.31Å; A224-F230 HydrophobicContact CB-CZ 3.93Å; A224-A243 HydrophobicContact CB-CB 4.08Å
225G95.3Very high95.6Very high49 Ų4932.7 Ų32.751%0.50518%0.183SC..THydrogen-bonded Turntrans93.712.5-176.900000113.6L221 D222 Q223L221-G225 PolarHBondContact O-N 2.97Å; D222-G225 PolarHBondContact O-N 3.25Å; Q223-G225 VanDerWaalsContact C-N 3.33Å
226G95.9Very high95.3Very high8 Ų833.1 Ų33.18%0.08219%0.185CC..THydrogen-bonded Turntrans65.6-171-177.900000112.8L221 V228 A229 F230L221-G226 WeakPolarHBondContact O-CA 3.44Å; L221-G226 PolarHBondContact O-N 3.35Å; G226-V228 PolarHBondContact O-N 2.98Å; G226-A229 PolarHBondContact O-N 3.3Å; G226-F230 VanDerWaalsContact O-CD2 3.24Å; G226-F230 WeakPolarHBondContact O-CD2 3.48Å; G226-F230 VanDerWaalsContact O-CE2 3.3Å; G226-F230 WeakPolarHBondContact O-CE2 3.45Å
227L95.5Very high95.1Very high1 Ų134.6 Ų34.61%0.00519%0.193CC..G310 helixtrans-61.4-28.8178.8-69.9-170.5000113.4L57 I126 L129 M130 Y133 I143 A229 F230 M240L57-L227 HydrophobicContact CD2-CD1 4.48Å; I126-L227 HydrophobicContact CD1-CB 4.26Å; I126-L227 HydrophobicContact CD1-CD2 4.2Å; I126-L227 HydrophobicContact CG2-CB 4.28Å; I126-L227 WeakPolarHBondContact CG2-O 3.4Å; L129-L227 HydrophobicContact CB-CD1 4.04Å; M130-L227 HydrophobicContact SD-CB 3.84Å; Y133-L227 HydrophobicContact CD1-CB 4.46Å; Y133-L227 HydrophobicContact CD1-CD1 4.29Å; Y133-L227 HydrophobicContact CD1-CG 4.07Å; Y133-L227 HydrophobicContact CD2-CD1 3.52Å; Y133-L227 HydrophobicContact CD2-CD2 4.42Å; Y133-L227 HydrophobicContact CD2-CG 3.61Å; Y133-L227 HydrophobicContact CE1-CG 4.3Å; Y133-L227 HydrophobicContact CE2-CD1 4.25Å; Y133-L227 HydrophobicContact CE2-CD2 4.37Å; Y133-L227 HydrophobicContact CE2-CG 3.84Å; Y133-L227 HydrophobicContact CG-CB 4.49Å; Y133-L227 HydrophobicContact CG-CD1 3.54Å; Y133-L227 HydrophobicContact CG-CG 3.73Å; I143-L227 HydrophobicContact CD1-CD1 4.48Å; I143-L227 HydrophobicContact CD1-CD2 4.08Å; L227-A229 VanDerWaalsContact C-N 3.28Å; L227-A229 PolarHBondContact O-N 2.94Å; L227-F230 PolarHBondContact O-N 3.02Å; L227-M240 HydrophobicContact CD2-SD 3.54Å; L227-M240 VanDerWaalsContact CD2-SD 3.54Å
228V96.4Very high94.9Very high69 Ų6934.3 Ų34.342%0.41819%0.192SC..G310 helixtrans-58.2-40-179.6177.60000111.9V120 M130 G226 F230 A231V120-V228 HydrophobicContact CB-CG1 4.17Å; V120-V228 HydrophobicContact CB-CG2 4.16Å; V120-V228 HydrophobicContact CG1-CG2 4.07Å; V120-V228 HydrophobicContact CG2-CG2 4.4Å; M130-V228 HydrophobicContact CE-CG2 3.44Å; M130-V228 VanDerWaalsContact CE-CG2 3.44Å; M130-V228 HydrophobicContact SD-CG2 3.67Å; G226-V228 PolarHBondContact O-N 2.98Å; V228-F230 PolarHBondContact O-N 3.4Å; V228-A231 VanDerWaalsContact O-CB 3.27Å; V228-A231 WeakPolarHBondContact O-CB 3.09Å; V228-A231 PolarHBondContact O-N 3.44Å
229A96.1Very high94.7Very high35 Ų3533.2 Ų33.229%0.28919%0.187SC..G310 helixtrans-59.1-23.1179.500000113.4A224 G226 L227 Q232A224-A229 WeakPolarHBondContact O-CB 3.05Å; G226-A229 PolarHBondContact O-N 3.3Å; L227-A229 VanDerWaalsContact C-N 3.28Å; L227-A229 PolarHBondContact O-N 2.94Å; A229-Q232 PolarHBondContact O-NE2 3.39Å
230F95.7Very high94.6Very high10 Ų1030 Ų304%0.04417%0.17CC..G310 helixtrans-100.6-0.3-178.1-51.7-74.7000113.6A224 G226 L227 V228 Q232 Y233 E236 F239 M240 A243A224-F230 HydrophobicContact CB-CE2 4.31Å; A224-F230 HydrophobicContact CB-CZ 3.93Å; G226-F230 VanDerWaalsContact O-CD2 3.24Å; G226-F230 WeakPolarHBondContact O-CD2 3.48Å; G226-F230 VanDerWaalsContact O-CE2 3.3Å; G226-F230 WeakPolarHBondContact O-CE2 3.45Å; L227-F230 PolarHBondContact O-N 3.02Å; V228-F230 PolarHBondContact O-N 3.4Å; F230-Q232 PolarHBondContact O-N 3.14Å; F230-Q232 VanDerWaalsContact O-N 3.1Å; F230-Y233 HydrophobicContact CB-CD2 4.36Å; F230-Y233 HydrophobicContact CD1-CD2 4.27Å; F230-Y233 HydrophobicContact CD1-CE2 4.39Å; F230-Y233 PolarHBondContact O-N 3.31Å; F230-Y233 VanDerWaalsContact O-N 3.08Å; F230-E236 HydrophobicContact CB-CB 4.33Å; F230-F239 HydrophobicContact CD1-CB 3.84Å; F230-F239 HydrophobicContact CE1-CB 4.29Å; F230-F239 WeakPolarHBondContact CE1-O 2.96Å; F230-M240 HydrophobicContact CB-CG 4.26Å; F230-M240 HydrophobicContact CD1-CG 3.96Å; F230-M240 HydrophobicContact CD2-CG 3.46Å; F230-M240 VanDerWaalsContact CD2-CG 3.46Å; F230-M240 HydrophobicContact CD2-SD 4.34Å; F230-M240 HydrophobicContact CE1-CG 4.18Å; F230-M240 HydrophobicContact CE2-CG 3.71Å; F230-M240 HydrophobicContact CG-CG 3.6Å; F230-M240 HydrophobicContact CZ-CG 4.05Å; F230-A243 HydrophobicContact CE1-CB 3.74Å; F230-A243 HydrophobicContact CZ-CB 3.64Å
231A94.5Very high94.5Very high2 Ų230 Ų302%0.01717%0.17CC..THydrogen-bonded Turntrans-66.1-13.8-177.600000114.2V120 I122 N123 I126 V228V120-A231 HydrophobicContact CB-CB 4.5Å; V120-A231 HydrophobicContact CG2-CB 3.82Å; I122-A231 WeakPolarHBondContact CG1-O 3.06Å; I122-A231 PolarHBondContact N-O 3.49Å; I122-A231 VanDerWaalsContact N-O 3.08Å; N123-A231 WeakPolarHBondContact CB-O 3.22Å; N123-A231 PolarHBondContact N-O 3.34Å; I126-A231 HydrophobicContact CB-CB 4.31Å; I126-A231 HydrophobicContact CG2-CB 3.73Å; V228-A231 VanDerWaalsContact O-CB 3.27Å; V228-A231 WeakPolarHBondContact O-CB 3.09Å; V228-A231 PolarHBondContact O-N 3.44Å
232Q92.5Very high94.3Very high91 Ų9133.7 Ų33.743%0.42519%0.186SC..THydrogen-bonded Turntrans-84.2-9.9175.665.1-176.1-3800114.3A229 F230 T387 A388A229-Q232 PolarHBondContact O-NE2 3.39Å; F230-Q232 PolarHBondContact O-N 3.14Å; F230-Q232 VanDerWaalsContact O-N 3.1Å; Q232-T387 HydrophobicContact CG-CG2 4.41Å; Q232-A388 PolarHBondContact O-N 3.37Å
233Y92.6Very high94.2Very high43 Ų4331.2 Ų31.217%0.16918%0.175CC..BIsolated β-bridgetrans-109.8135-176-56.3-65.6000110.6N123 F230 F239 G386 T387N123-Y233 WeakPolarHBondContact CB-O 3.29Å; N123-Y233 PolarHBondContact ND2-O 3.24Å; F230-Y233 HydrophobicContact CB-CD2 4.36Å; F230-Y233 HydrophobicContact CD1-CD2 4.27Å; F230-Y233 HydrophobicContact CD1-CE2 4.39Å; F230-Y233 PolarHBondContact O-N 3.31Å; F230-Y233 VanDerWaalsContact O-N 3.08Å; Y233-F239 VanDerWaalsContact CB-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CD1 4.17Å; Y233-F239 AromaticContact CD1-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CD2 3.48Å; Y233-F239 VanDerWaalsContact CD1-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CE1 4.12Å; Y233-F239 AromaticContact CD1-CE2 3.41Å; Y233-F239 HydrophobicContact CD1-CE2 3.41Å; Y233-F239 VanDerWaalsContact CD1-CE2 3.41Å; Y233-F239 AromaticContact CD1-CG 3.88Å; Y233-F239 HydrophobicContact CD1-CG 3.88Å; Y233-F239 AromaticContact CD1-CZ 3.77Å; Y233-F239 HydrophobicContact CD1-CZ 3.77Å; Y233-F239 HydrophobicContact CD2-CB 3.65Å; Y233-F239 HydrophobicContact CD2-CD1 4.26Å; Y233-F239 AromaticContact CD2-CD2 3.77Å; Y233-F239 HydrophobicContact CD2-CD2 3.77Å; Y233-F239 AromaticContact CD2-CG 3.63Å; Y233-F239 HydrophobicContact CD2-CG 3.63Å; Y233-F239 AromaticContact CE1-CD1 3.95Å; Y233-F239 HydrophobicContact CE1-CD1 3.95Å; Y233-F239 HydrophobicContact CE1-CD2 4.11Å; Y233-F239 AromaticContact CE1-CE1 3.83Å; Y233-F239 HydrophobicContact CE1-CE1 3.83Å; Y233-F239 AromaticContact CE1-CE2 3.99Å; Y233-F239 HydrophobicContact CE1-CE2 3.99Å; Y233-F239 HydrophobicContact CE1-CG 4.1Å; Y233-F239 AromaticContact CE1-CZ 3.87Å; Y233-F239 HydrophobicContact CE1-CZ 3.87Å; Y233-F239 HydrophobicContact CE2-CB 3.97Å; Y233-F239 HydrophobicContact CE2-CD1 4.07Å; Y233-F239 HydrophobicContact CE2-CD2 4.38Å; Y233-F239 AromaticContact CE2-CG 3.88Å; Y233-F239 HydrophobicContact CE2-CG 3.88Å; Y233-F239 HydrophobicContact CG-CB 4.1Å; Y233-F239 HydrophobicContact CG-CD1 4.33Å; Y233-F239 AromaticContact CG-CD2 3.29Å; Y233-F239 HydrophobicContact CG-CD2 3.29Å; Y233-F239 AromaticContact CG-CE2 3.74Å; Y233-F239 HydrophobicContact CG-CE2 3.74Å; Y233-F239 AromaticContact CG-CG 3.64Å; Y233-F239 HydrophobicContact CG-CG 3.64Å; Y233-F239 HydrophobicContact CG-CZ 4.43Å; Y233-F239 AromaticContact CZ-CD1 3.9Å; Y233-G386 WeakPolarHBondContact CD1-O 3.46Å; Y233-T387 HydrophobicContact CD1-CG2 4.09Å; Y233-T387 HydrophobicContact CE1-CG2 3.56Å
234I90.6Very high94.1Very high10 Ų1025.5 Ų25.55%0.05115%0.148CC..SBendtrans-76.5-30.5172-61.7-63000111.7I122 E236 L280 W375 Y380 A388I122-I234 HydrophobicContact CD1-CD1 4.28Å; I234-E236 VanDerWaalsContact C-N 3.34Å; I234-E236 PolarHBondContact O-N 3.05Å; I234-L280 HydrophobicContact CB-CD2 3.86Å; I234-L280 HydrophobicContact CG2-CD1 4.43Å; I234-L280 HydrophobicContact CG2-CD2 3.83Å; I234-W375 HydrophobicContact CD1-CE3 4.18Å; I234-W375 HydrophobicContact CD1-CZ3 4.4Å; I234-W375 HydrophobicContact CG2-CE3 4.23Å; I234-Y380 HydrophobicContact CD1-CD1 3.93Å; I234-Y380 HydrophobicContact CD1-CD2 4.04Å; I234-Y380 HydrophobicContact CD1-CE1 4.12Å; I234-Y380 HydrophobicContact CD1-CE2 4.22Å; I234-Y380 HydrophobicContact CD1-CG 3.88Å; I234-Y380 HydrophobicContact CG1-CG 4.38Å; I234-A388 HydrophobicContact CD1-CB 4.24Å; I234-A388 HydrophobicContact CG1-CB 3.55Å
235A91Very high94Very high8 Ų825.5 Ų25.57%0.06615%0.148CC..SBendtrans-95.861.817200000109.7D237 Y238 F239 L280 M284A235-D237 WeakPolarHBondContact CA-OD1 3.32Å; A235-D237 PolarHBondContact O-N 3.44Å; A235-Y238 PolarHBondContact O-N 3.29Å; A235-F239 VanDerWaalsContact O-CD2 3.26Å; A235-F239 WeakPolarHBondContact O-CD2 3.42Å; A235-F239 PolarHBondContact O-N 3.35Å; A235-L280 HydrophobicContact CB-CD2 4.28Å; A235-M284 HydrophobicContact CB-CE 3.44Å; A235-M284 VanDerWaalsContact CB-CE 3.44Å; A235-M284 HydrophobicContact CB-SD 3.4Å; A235-M284 WeakPolarHBondContact CB-SD 3.3Å
236E93Very high94Very high9 Ų927.4 Ų27.44%0.04215%0.147CC..Hα-helixtrans-57.7-32.8-174.572.5-7116300112.7N123 K125 I126 F230 I234 F239 M240N123-E236 PolarHBondContact ND2-OE2 3.45Å; K125-E236 VanDerWaalsContact CD-OE1 3.25Å; K125-E236 WeakPolarHBondContact CD-OE1 3.49Å; K125-E236 WeakPolarHBondContact CE-OE1 3.32Å; K125-E236 IonicContact NZ-OE1 3.55Å; K125-E236 PolarHBondContact NZ-OE1 3.35Å; I126-E236 HydrophobicContact CD1-CB 4.01Å; I126-E236 HydrophobicContact CD1-CG 3.85Å; I126-E236 HydrophobicContact CG1-CB 4.03Å; I126-E236 HydrophobicContact CG1-CG 4.14Å; F230-E236 HydrophobicContact CB-CB 4.33Å; I234-E236 VanDerWaalsContact C-N 3.34Å; I234-E236 PolarHBondContact O-N 3.05Å; E236-F239 PolarHBondContact O-N 3.24Å; E236-M240 HydrophobicContact CB-CE 4.46Å; E236-M240 HydrophobicContact CG-CE 3.91Å; E236-M240 WeakPolarHBondContact O-CB 3.44Å; E236-M240 VanDerWaalsContact O-CG 3.28Å; E236-M240 WeakPolarHBondContact O-CG 3.4Å; E236-M240 PolarHBondContact O-N 3.47Å
237D92.8Very high93.9Very high31 Ų3132.3 Ų32.317%0.16616%0.163CC..Hα-helixtrans-58.6-50.1-179.853.7-5.2000113.4G211 A235 A241G211-D237 WeakPolarHBondContact CA-OD2 3.5Å; G211-D237 PolarHBondContact N-OD2 3.25Å; A235-D237 WeakPolarHBondContact CA-OD1 3.32Å; A235-D237 PolarHBondContact O-N 3.44Å; D237-A241 WeakPolarHBondContact O-CB 3.07Å; D237-A241 PolarHBondContact O-N 3.21Å
238Y92.8Very high93.9Very high40 Ų4035.5 Ų35.516%0.15720%0.195CC..Hα-helixtrans-64.3-42.7176.8169.7-97.3000111.3K207 A235 A241 K242 M284 V285K207-Y238 WeakPolarHBondContact O-CE2 3.45Å; A235-Y238 PolarHBondContact O-N 3.29Å; Y238-A241 PolarHBondContact O-N 2.97Å; Y238-K242 HydrophobicContact CE1-CD 4.28Å; Y238-K242 VanDerWaalsContact O-CB 3.3Å; Y238-K242 WeakPolarHBondContact O-CB 3.39Å; Y238-K242 PolarHBondContact O-N 2.97Å; Y238-M284 HydrophobicContact CD1-CB 4.48Å; Y238-M284 HydrophobicContact CD1-CE 3.14Å; Y238-M284 HydrophobicContact CD2-CE 3.98Å; Y238-M284 HydrophobicContact CE1-CB 4.29Å; Y238-M284 HydrophobicContact CE1-CE 3.95Å; Y238-M284 HydrophobicContact CG-CE 3.14Å; Y238-V285 HydrophobicContact CE1-CG2 4.45Å; Y238-V285 HydrophobicContact CE2-CG2 4.27Å; Y238-V285 WeakPolarHBondContact OH-CG2 3.46Å
239F94.1Very high93.8Very high19 Ų1935.1 Ų35.18%0.08319%0.187CC..Hα-helixtrans-71.8-35.3-178.5-72.9-76000112.4F230 Y233 A235 E236 K242 A243 M284 G385F230-F239 HydrophobicContact CD1-CB 3.84Å; F230-F239 HydrophobicContact CE1-CB 4.29Å; F230-F239 WeakPolarHBondContact CE1-O 2.96Å; Y233-F239 VanDerWaalsContact CB-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CD1 4.17Å; Y233-F239 AromaticContact CD1-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CD2 3.48Å; Y233-F239 VanDerWaalsContact CD1-CD2 3.48Å; Y233-F239 HydrophobicContact CD1-CE1 4.12Å; Y233-F239 AromaticContact CD1-CE2 3.41Å; Y233-F239 HydrophobicContact CD1-CE2 3.41Å; Y233-F239 VanDerWaalsContact CD1-CE2 3.41Å; Y233-F239 AromaticContact CD1-CG 3.88Å; Y233-F239 HydrophobicContact CD1-CG 3.88Å; Y233-F239 AromaticContact CD1-CZ 3.77Å; Y233-F239 HydrophobicContact CD1-CZ 3.77Å; Y233-F239 HydrophobicContact CD2-CB 3.65Å; Y233-F239 HydrophobicContact CD2-CD1 4.26Å; Y233-F239 AromaticContact CD2-CD2 3.77Å; Y233-F239 HydrophobicContact CD2-CD2 3.77Å; Y233-F239 AromaticContact CD2-CG 3.63Å; Y233-F239 HydrophobicContact CD2-CG 3.63Å; Y233-F239 AromaticContact CE1-CD1 3.95Å; Y233-F239 HydrophobicContact CE1-CD1 3.95Å; Y233-F239 HydrophobicContact CE1-CD2 4.11Å; Y233-F239 AromaticContact CE1-CE1 3.83Å; Y233-F239 HydrophobicContact CE1-CE1 3.83Å; Y233-F239 AromaticContact CE1-CE2 3.99Å; Y233-F239 HydrophobicContact CE1-CE2 3.99Å; Y233-F239 HydrophobicContact CE1-CG 4.1Å; Y233-F239 AromaticContact CE1-CZ 3.87Å; Y233-F239 HydrophobicContact CE1-CZ 3.87Å; Y233-F239 HydrophobicContact CE2-CB 3.97Å; Y233-F239 HydrophobicContact CE2-CD1 4.07Å; Y233-F239 HydrophobicContact CE2-CD2 4.38Å; Y233-F239 AromaticContact CE2-CG 3.88Å; Y233-F239 HydrophobicContact CE2-CG 3.88Å; Y233-F239 HydrophobicContact CG-CB 4.1Å; Y233-F239 HydrophobicContact CG-CD1 4.33Å; Y233-F239 AromaticContact CG-CD2 3.29Å; Y233-F239 HydrophobicContact CG-CD2 3.29Å; Y233-F239 AromaticContact CG-CE2 3.74Å; Y233-F239 HydrophobicContact CG-CE2 3.74Å; Y233-F239 AromaticContact CG-CG 3.64Å; Y233-F239 HydrophobicContact CG-CG 3.64Å; Y233-F239 HydrophobicContact CG-CZ 4.43Å; Y233-F239 AromaticContact CZ-CD1 3.9Å; A235-F239 VanDerWaalsContact O-CD2 3.26Å; A235-F239 WeakPolarHBondContact O-CD2 3.42Å; A235-F239 PolarHBondContact O-N 3.35Å; E236-F239 PolarHBondContact O-N 3.24Å; F239-K242 PolarHBondContact O-N 2.85Å; F239-A243 VanDerWaalsContact O-CB 3.29Å; F239-A243 WeakPolarHBondContact O-CB 3.33Å; F239-A243 PolarHBondContact O-N 3.48Å; F239-M284 HydrophobicContact CE2-CE 4.31Å; F239-M284 HydrophobicContact CE2-CG 3.93Å; F239-M284 HydrophobicContact CZ-CB 4.44Å; F239-M284 HydrophobicContact CZ-CG 4.05Å; F239-G385 WeakPolarHBondContact CE1-O 3.32Å; F239-G385 WeakPolarHBondContact CZ-O 3.4Å
240M95.1Very high93.7Very high6 Ų639.8 Ų39.83%0.0320%0.2CC..Hα-helixtrans-60.5-49.3169-76.8-172.9-60.400110.8I143 M216 L221 L227 F230 E236 K242 A243 I244I143-M240 HydrophobicContact CD1-CE 4.35Å; I143-M240 HydrophobicContact CD1-SD 4.48Å; M216-M240 HydrophobicContact CE-CE 4.43Å; M216-M240 HydrophobicContact SD-SD 4.41Å; L221-M240 HydrophobicContact CD2-CB 4.22Å; L221-M240 HydrophobicContact CD2-CG 4.14Å; L221-M240 HydrophobicContact CD2-SD 4.17Å; L227-M240 HydrophobicContact CD2-SD 3.54Å; L227-M240 VanDerWaalsContact CD2-SD 3.54Å; F230-M240 HydrophobicContact CB-CG 4.26Å; F230-M240 HydrophobicContact CD1-CG 3.96Å; F230-M240 HydrophobicContact CD2-CG 3.46Å; F230-M240 VanDerWaalsContact CD2-CG 3.46Å; F230-M240 HydrophobicContact CD2-SD 4.34Å; F230-M240 HydrophobicContact CE1-CG 4.18Å; F230-M240 HydrophobicContact CE2-CG 3.71Å; F230-M240 HydrophobicContact CG-CG 3.6Å; F230-M240 HydrophobicContact CZ-CG 4.05Å; E236-M240 HydrophobicContact CB-CE 4.46Å; E236-M240 HydrophobicContact CG-CE 3.91Å; E236-M240 WeakPolarHBondContact O-CB 3.44Å; E236-M240 VanDerWaalsContact O-CG 3.28Å; E236-M240 WeakPolarHBondContact O-CG 3.4Å; E236-M240 PolarHBondContact O-N 3.47Å; M240-K242 PolarHBondContact O-N 3.23Å; M240-A243 PolarHBondContact O-N 2.88Å; M240-I244 VanDerWaalsContact O-CG1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.34Å; M240-I244 PolarHBondContact O-N 3.35Å
241A93.6Very high93.6Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-58.3-51.9176.800000110.8L168 V209 D237 Y238 A243 I244 A245 F251L168-A241 HydrophobicContact CD1-CB 3.85Å; V209-A241 HydrophobicContact CB-CB 3.78Å; V209-A241 HydrophobicContact CG1-CB 4.49Å; V209-A241 HydrophobicContact CG2-CB 3.79Å; D237-A241 WeakPolarHBondContact O-CB 3.07Å; D237-A241 PolarHBondContact O-N 3.21Å; Y238-A241 PolarHBondContact O-N 2.97Å; A241-A243 VanDerWaalsContact C-N 3.3Å; A241-A243 PolarHBondContact O-N 3.23Å; A241-I244 WeakPolarHBondContact O-CB 3.41Å; A241-I244 PolarHBondContact O-N 2.99Å; A241-I244 VanDerWaalsContact O-N 3.13Å; A241-A245 PolarHBondContact O-N 2.85Å; A241-F251 HydrophobicContact CB-CE1 4.49Å; A241-F251 HydrophobicContact CB-CE2 4.04Å; A241-F251 HydrophobicContact CB-CZ 3.72Å; A241-F251 WeakPolarHBondContact O-CZ 3.5Å
242K93.4Very high93.5Very high78 Ų7842.3 Ų42.334%0.33921%0.214SC..Hα-helixtrans-53-48177.3-176.1-177.3179.8-61.70111.4Y238 F239 M240 I244 A245 D246Y238-K242 HydrophobicContact CE1-CD 4.28Å; Y238-K242 VanDerWaalsContact O-CB 3.3Å; Y238-K242 WeakPolarHBondContact O-CB 3.39Å; Y238-K242 PolarHBondContact O-N 2.97Å; F239-K242 PolarHBondContact O-N 2.85Å; M240-K242 PolarHBondContact O-N 3.23Å; K242-I244 PolarHBondContact O-N 3.49Å; K242-A245 PolarHBondContact O-N 2.95Å; K242-D246 IonicContact NZ-OD2 3.9Å; K242-D246 PolarHBondContact NZ-OD2 3.27Å; K242-D246 WeakPolarHBondContact O-CB 3.31Å; K242-D246 PolarHBondContact O-N 3.27Å
243A94.9Very high93.6Very high14 Ų1438.1 Ų38.112%0.11619%0.194CC..Hα-helixtrans-64.3-37-179.900000113.5A224 F230 F239 M240 A241 R247A224-A243 HydrophobicContact CB-CB 4.08Å; F230-A243 HydrophobicContact CE1-CB 3.74Å; F230-A243 HydrophobicContact CZ-CB 3.64Å; F239-A243 VanDerWaalsContact O-CB 3.29Å; F239-A243 WeakPolarHBondContact O-CB 3.33Å; F239-A243 PolarHBondContact O-N 3.48Å; M240-A243 PolarHBondContact O-N 2.88Å; A241-A243 VanDerWaalsContact C-N 3.3Å; A241-A243 PolarHBondContact O-N 3.23Å; A243-R247 WeakPolarHBondContact O-CD 3.21Å; A243-R247 WeakPolarHBondContact O-CG 3.48Å; A243-R247 PolarHBondContact O-N 3.5Å; A243-R247 PolarHBondContact O-NH1 3.47Å
244I94.9Very high93.6Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-63.4-47.8173.2-71.8167.6000109.9L168 M216 V220 L221 M240 A241 K242 R247 W249 F251L168-I244 HydrophobicContact CB-CD1 4.15Å; L168-I244 HydrophobicContact CB-CG2 4.49Å; L168-I244 HydrophobicContact CD1-CD1 4Å; M216-I244 HydrophobicContact CB-CD1 4.43Å; M216-I244 HydrophobicContact CG-CD1 4.02Å; M216-I244 HydrophobicContact SD-CD1 4.13Å; V220-I244 HydrophobicContact CG1-CB 4.36Å; V220-I244 HydrophobicContact CG1-CG1 3.95Å; V220-I244 HydrophobicContact CG1-CG2 4.19Å; L221-I244 HydrophobicContact CD2-CD1 3.89Å; L221-I244 HydrophobicContact CD2-CG1 4.27Å; L221-I244 HydrophobicContact CG-CD1 4.39Å; M240-I244 VanDerWaalsContact O-CG1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.34Å; M240-I244 PolarHBondContact O-N 3.35Å; A241-I244 WeakPolarHBondContact O-CB 3.41Å; A241-I244 PolarHBondContact O-N 2.99Å; A241-I244 VanDerWaalsContact O-N 3.13Å; K242-I244 PolarHBondContact O-N 3.49Å; I244-R247 WeakPolarHBondContact O-CB 3.47Å; I244-R247 PolarHBondContact O-N 2.7Å; I244-W249 HydrophobicContact CG2-CB 3.54Å; I244-W249 HydrophobicContact CG2-CG 4.17Å; I244-W249 WeakPolarHBondContact O-CB 3.32Å; I244-W249 PolarHBondContact O-N 2.81Å; I244-F251 HydrophobicContact CB-CE1 4.33Å; I244-F251 HydrophobicContact CG2-CE1 3.96Å
245A93.7Very high93.8Very high13 Ų1336.3 Ų36.311%0.10719%0.189CC..Hα-helixtrans-77.2-24.7-176.100000114K207 A241 K242 R247 G248 F251K207-A245 HydrophobicContact CD-CB 3.46Å; K207-A245 VanDerWaalsContact CD-CB 3.46Å; K207-A245 HydrophobicContact CG-CB 3.83Å; K207-A245 PolarHBondContact NZ-O 2.83Å; A241-A245 PolarHBondContact O-N 2.85Å; K242-A245 PolarHBondContact O-N 2.95Å; A245-R247 PolarHBondContact O-N 3.21Å; A245-G248 PolarHBondContact O-N 2.92Å; A245-G248 VanDerWaalsContact O-N 3.09Å; A245-F251 HydrophobicContact CB-CE1 3.71Å; A245-F251 HydrophobicContact CB-CE2 4.32Å; A245-F251 HydrophobicContact CB-CZ 3.46Å; A245-F251 VanDerWaalsContact CB-CZ 3.46Å
246D94.1Very high93.9Very high88 Ų8836.9 Ų36.947%0.47119%0.19SC..Hα-helixtrans-67.8-18.7170.3-69.2-8.6000111.7K207 K242 G248K207-D246 IonicContact NZ-OD1 2.95Å; K207-D246 PolarHBondContact NZ-OD1 2.9Å; K242-D246 IonicContact NZ-OD2 3.9Å; K242-D246 PolarHBondContact NZ-OD2 3.27Å; K242-D246 WeakPolarHBondContact O-CB 3.31Å; K242-D246 PolarHBondContact O-N 3.27Å; D246-G248 VanDerWaalsContact C-N 3.29Å
247R94.8Very high94.1Very high112 Ų11237.7 Ų37.742%0.42320%0.196SC..THydrogen-bonded Turntrans-88.410.1170.3-68.9165.3172.76310.6113.3Q223 A243 I244 A245 W249Q223-R247 PolarHBondContact O-NE 3.22Å; Q223-R247 PolarHBondContact O-NH2 2.94Å; A243-R247 WeakPolarHBondContact O-CD 3.21Å; A243-R247 WeakPolarHBondContact O-CG 3.48Å; A243-R247 PolarHBondContact O-N 3.5Å; A243-R247 PolarHBondContact O-NH1 3.47Å; I244-R247 WeakPolarHBondContact O-CB 3.47Å; I244-R247 PolarHBondContact O-N 2.7Å; A245-R247 PolarHBondContact O-N 3.21Å; R247-W249 PolarHBondContact O-N 2.7Å
248G94.5Very high94.2Very high67 Ų6736.4 Ų36.469%0.69119%0.189SC*.THydrogen-bonded Turntrans83.74.2175.400000115.5A245 D246A245-G248 PolarHBondContact O-N 2.92Å; A245-G248 VanDerWaalsContact O-N 3.09Å; D246-G248 VanDerWaalsContact C-N 3.29Å
249W95.3Very high94.4Very high62 Ų6236.7 Ų36.724%0.23519%0.193CC..PPolyproline II helixtrans-75.8144.9176-69.391.1000112.1E164 V220 I244 R247E164-W249 WeakPolarHBondContact O-CZ3 3.39Å; V220-W249 HydrophobicContact CG1-CG 4.16Å; V220-W249 HydrophobicContact CG2-CD2 4.02Å; V220-W249 HydrophobicContact CG2-CG 4.47Å; V220-W249 HydrophobicContact CG2-CH2 4.22Å; V220-W249 HydrophobicContact CG2-CZ2 3.48Å; V220-W249 VanDerWaalsContact CG2-CZ2 3.48Å; I244-W249 HydrophobicContact CG2-CB 3.54Å; I244-W249 HydrophobicContact CG2-CG 4.17Å; I244-W249 WeakPolarHBondContact O-CB 3.32Å; I244-W249 PolarHBondContact O-N 2.81Å; R247-W249 PolarHBondContact O-N 2.7Å
250K93.9Very high94.5Very high132 Ų13236.4 Ų36.457%0.57419%0.192SC*.EExtended strand (participates in β ladder)trans-88.5159.8175.7-61.2-170.2177.5-169.20111.6K165 V166 G167K165-K250 WeakPolarHBondContact O-CB 3.32Å; K165-K250 PolarHBondContact O-N 2.98Å; V166-K250 CarbonylContact C-O 3.54Å; V166-K250 WeakPolarHBondContact CA-O 3.27Å; V166-K250 HydrophobicContact CG2-CB 4.36Å; G167-K250 PolarHBondContact N-O 3.33Å
251F93.5Very high94.5Very high40 Ų4037 Ų3718%0.17520%0.195CC..EExtended strand (participates in β ladder)trans-103.8155.6167.9-56.1-19.4000110.5L168 K207 V209 A241 I244 A245L168-F251 HydrophobicContact CB-CD1 3.79Å; L168-F251 HydrophobicContact CB-CE1 4.08Å; L168-F251 HydrophobicContact CD2-CD1 4.44Å; L168-F251 HydrophobicContact CD2-CG 4.49Å; L168-F251 WeakPolarHBondContact O-CA 3.41Å; K207-F251 HydrophobicContact CB-CE2 3.79Å; K207-F251 HydrophobicContact CB-CZ 4.38Å; K207-F251 HydrophobicContact CG-CE2 4Å; K207-F251 HydrophobicContact CG-CZ 4.37Å; V209-F251 HydrophobicContact CG2-CD2 3.73Å; V209-F251 HydrophobicContact CG2-CE2 3.74Å; V209-F251 HydrophobicContact CG2-CG 4.49Å; A241-F251 HydrophobicContact CB-CE1 4.49Å; A241-F251 HydrophobicContact CB-CE2 4.04Å; A241-F251 HydrophobicContact CB-CZ 3.72Å; A241-F251 WeakPolarHBondContact O-CZ 3.5Å; I244-F251 HydrophobicContact CB-CE1 4.33Å; I244-F251 HydrophobicContact CG2-CE1 3.96Å; A245-F251 HydrophobicContact CB-CE1 3.71Å; A245-F251 HydrophobicContact CB-CE2 4.32Å; A245-F251 HydrophobicContact CB-CZ 3.46Å; A245-F251 VanDerWaalsContact CB-CZ 3.46Å
252S92.9Very high94.4Very high25 Ų2538.8 Ų38.818%0.17521%0.208CC..EExtended strand (participates in β ladder)trans-137.5154.4168-166.20000109.9Q161 L168 V169 H170Q161-S252 PolarHBondContact OE1-OG 3.28Å; L168-S252 PolarHBondContact O-N 2.88Å; V169-S252 VanDerWaalsContact CA-O 3.25Å; V169-S252 WeakPolarHBondContact CA-O 3.4Å; H170-S252 PolarHBondContact N-O 3.2Å; H170-S252 VanDerWaalsContact N-O 3.09Å
253M93.9Very high94.2Very high3 Ų336.2 Ų36.22%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-107.3137178.1-165.5-171.9-61.900109.7Y32 H170 L172 Y198 I199 N202Y32-M253 HydrophobicContact CE1-CE 4.46Å; Y32-M253 HydrophobicContact CE1-SD 3.9Å; H170-M253 CarbonylContact O-C 3.48Å; H170-M253 VanDerWaalsContact O-CA 3.32Å; H170-M253 WeakPolarHBondContact O-CA 3.46Å; H170-M253 WeakPolarHBondContact O-CG 3.38Å; L172-M253 HydrophobicContact CB-SD 4.02Å; Y198-M253 HydrophobicContact CD1-CE 3.87Å; Y198-M253 HydrophobicContact CE1-CE 3.96Å; I199-M253 HydrophobicContact CG1-CE 4.12Å; I199-M253 HydrophobicContact CG1-SD 4.46Å; N202-M253 HydrophobicContact CB-CE 3.46Å; N202-M253 VanDerWaalsContact CB-CE 3.46Å
254A93.8Very high93.9Very high4 Ų438.7 Ų38.73%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-59.2152.8171.300000111.1D157 L158 H170 Q256D157-A254 WeakPolarHBondContact OD2-CB 3.34Å; L158-A254 HydrophobicContact CD2-CB 3.78Å; H170-A254 PolarHBondContact O-N 3.45Å; A254-Q256 VanDerWaalsContact C-N 3.26Å; A254-Q256 WeakPolarHBondContact CB-O 3.37Å
255T93.8Very high93.7Very high11 Ų1141.9 Ų41.97%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-77.6-20.7170.872.30000111.5H36 L37 H38 R39 D157H36-T255 VanDerWaalsContact O-CB 3.29Å; H36-T255 WeakPolarHBondContact O-CB 3.48Å; H36-T255 WeakPolarHBondContact O-CG2 3.41Å; L37-T255 WeakPolarHBondContact CA-O 3.4Å; L37-T255 WeakPolarHBondContact CD2-O 3.46Å; H38-T255 PolarHBondContact N-O 3.42Å; R39-T255 PolarHBondContact O-OG1 2.82Å; R39-T255 VanDerWaalsContact O-OG1 3.05Å; D157-T255 VanDerWaalsContact CG-OG1 3.29Å; D157-T255 PolarHBondContact OD1-N 3.46Å; D157-T255 PolarHBondContact OD1-OG1 3.49Å; D157-T255 VanDerWaalsContact OD1-OG1 3.06Å; D157-T255 PolarHBondContact OD2-N 3.36Å; D157-T255 PolarHBondContact OD2-OG1 3.38Å
256Q94.1Very high93.8Very high20 Ų2043.5 Ų43.59%0.09324%0.243CC..EExtended strand (participates in β ladder)trans-92.1145.5173.1-56.4-169.922.100111.9D153 T154 D157 A254D153-Q256 PolarHBondContact OD1-NE2 2.77Å; D153-Q256 PolarHBondContact OD2-NE2 2.95Å; T154-Q256 PolarHBondContact OG1-OE1 3.01Å; D157-Q256 HydrophobicContact CB-CG 4.35Å; D157-Q256 PolarHBondContact OD2-N 2.98Å; A254-Q256 VanDerWaalsContact C-N 3.26Å; A254-Q256 WeakPolarHBondContact CB-O 3.37Å
257V95.6Very high93.9Very high26 Ų2642.3 Ų42.316%0.15824%0.236CC..EExtended strand (participates in β ladder)trans-74.9146.9173.6-600000111L37 L172 Y174 L259 V337L37-V257 HydrophobicContact CD1-CG1 4.45Å; L172-V257 HydrophobicContact CB-CG1 4.35Å; L172-V257 HydrophobicContact CD2-CG1 4.26Å; L172-V257 CarbonylContact O-C 3.46Å; L172-V257 VanDerWaalsContact O-CA 3.3Å; L172-V257 WeakPolarHBondContact O-CA 3.43Å; L172-V257 WeakPolarHBondContact O-CB 3.45Å; Y174-V257 HydrophobicContact CD1-CG2 4.17Å; Y174-V257 HydrophobicContact CG-CG2 4.44Å; V257-L259 HydrophobicContact CG2-CB 4.37Å; V257-L259 HydrophobicContact CG2-CD1 4.03Å; V257-L259 PolarHBondContact O-N 2.83Å; V257-L259 VanDerWaalsContact O-N 3.08Å; V257-V337 HydrophobicContact CG1-CG1 4.32Å
258A96.1Very high93.9Very high4 Ų438.7 Ų38.73%0.03323%0.233CC..EExtended strand (participates in β ladder)trans-75.192.2165.800000108.6L172 Y174 M212 Q260L172-A258 PolarHBondContact O-N 2.72Å; Y174-A258 PolarHBondContact N-O 3.12Å; Y174-A258 VanDerWaalsContact N-O 3.07Å; Y174-A258 VanDerWaalsContact O-O 3.06Å; M212-A258 HydrophobicContact CB-CB 4.48Å; A258-Q260 PolarHBondContact O-N 3.09Å
259L96.6Very high93.8Very high46 Ų4640.3 Ų40.324%0.24122%0.223CC..EExtended strand (participates in β ladder)trans-80.7110.2-169.4-165.973.4000111.9I148 R149 Y174 V175 A176 V257I148-L259 WeakPolarHBondContact CA-O 3.17Å; R149-L259 PolarHBondContact N-O 3.48Å; Y174-L259 HydrophobicContact CD1-CD1 3.98Å; V175-L259 WeakPolarHBondContact O-CD1 3.29Å; A176-L259 HydrophobicContact CB-CD1 4.31Å; A176-L259 HydrophobicContact CB-CD2 4.01Å; A176-L259 HydrophobicContact CB-CG 3.95Å; V257-L259 HydrophobicContact CG2-CB 4.37Å; V257-L259 HydrophobicContact CG2-CD1 4.03Å; V257-L259 PolarHBondContact O-N 2.83Å; V257-L259 VanDerWaalsContact O-N 3.08Å
260Q96.3Very high93.7Very high14 Ų1437.5 Ų37.57%0.06521%0.212CC..EExtended strand (participates in β ladder)trans-84.1122.1178.2-60.5166.374.800110.8G147 I148 Y174 V175 A176 M212 A258G147-Q260 CarbonylContact O-C 3.6Å; G147-Q260 WeakPolarHBondContact O-CA 3.32Å; I148-Q260 HydrophobicContact CD1-CB 4.29Å; I148-Q260 HydrophobicContact CD1-CG 3.52Å; Y174-Q260 VanDerWaalsContact O-CB 3.3Å; Y174-Q260 WeakPolarHBondContact O-CB 3.26Å; Y174-Q260 VanDerWaalsContact O-CG 3.29Å; Y174-Q260 WeakPolarHBondContact O-CG 3.32Å; Y174-Q260 PolarHBondContact O-N 2.95Å; Y174-Q260 PolarHBondContact O-NE2 2.98Å; Y174-Q260 VanDerWaalsContact O-NE2 3.09Å; V175-Q260 CarbonylContact C-O 3.6Å; V175-Q260 WeakPolarHBondContact CA-O 3.34Å; V175-Q260 HydrophobicContact CG1-CB 4.21Å; A176-Q260 PolarHBondContact N-O 3.43Å; M212-Q260 HydrophobicContact SD-CG 3.83Å; A258-Q260 PolarHBondContact O-N 3.09Å
261N95.6Very high93.8Very high17 Ų1733.4 Ų33.49%0.09120%0.196CC..  trans-12955.6-176.4-175.142000111.3N66 N70 G147 R149 A176N66-N261 VanDerWaalsContact CB-O 3.28Å; N66-N261 WeakPolarHBondContact CB-O 3.31Å; N66-N261 PolarHBondContact ND2-O 2.86Å; N66-N261 PolarHBondContact ND2-OD1 3.49Å; N70-N261 PolarHBondContact ND2-O 2.79Å; N70-N261 WeakPolarHBondContact OD1-CB 3.26Å; N70-N261 PolarHBondContact OD1-ND2 2.92Å; G147-N261 PolarHBondContact O-N 3.2Å; R149-N261 HydrophobicContact CB-CB 4.02Å; A176-N261 HydrophobicContact CB-CB 3.86Å
262S91.4Very high93.7Very high39 Ų3935.2 Ų35.227%0.27321%0.213SC..  trans-73.3135.2172.41780000110.5D64 R178 S264 Y265D64-S262 PolarHBondContact OD2-OG 2.81Å; R178-S262 WeakPolarHBondContact CD-O 3.49Å; R178-S262 PolarHBondContact NH1-O 3.26Å; S262-S264 PolarHBondContact OG-N 2.92Å; S262-S264 PolarHBondContact OG-O 3.22Å; S262-Y265 WeakPolarHBondContact O-CD1 3.28Å
263G88.4Confident93.7Very high24 Ų2436.3 Ų36.325%0.24721%0.213CC..SBendtrans-78.8-17178.200000114.2D64D64-G263 VanDerWaalsContact CG-N 3.33Å; D64-G263 PolarHBondContact OD1-N 2.98Å; D64-G263 PolarHBondContact OD2-N 3.45Å
264S88Confident93.7Very high66 Ų6636.5 Ų36.546%0.46221%0.214SC..  trans-116.3117.2177.9-60.20000111.2S262S262-S264 PolarHBondContact OG-N 2.92Å; S262-S264 PolarHBondContact OG-O 3.22Å
265Y92.4Very high93.7Very high67 Ų6737.8 Ų37.826%0.26322%0.22SC..  trans-150.8145.6-177.249.2-84.4000111.3R178 Q179 A182 A183 S262R178-Y265 HydrophobicContact CB-CE1 4.24Å; R178-Y265 HydrophobicContact CB-CE2 4.36Å; R178-Y265 HydrophobicContact CG-CE1 4.24Å; R178-Y265 VanDerWaalsContact NH1-CD1 3.34Å; Q179-Y265 PolarHBondContact N-OH 3.43Å; Q179-Y265 WeakPolarHBondContact O-CE2 3.34Å; Q179-Y265 PolarHBondContact O-OH 3.1Å; A182-Y265 HydrophobicContact CB-CD2 4.25Å; A183-Y265 HydrophobicContact CB-CD2 4.18Å; A183-Y265 HydrophobicContact CB-CE2 3.75Å; S262-Y265 WeakPolarHBondContact O-CD1 3.28Å
266S95.2Very high93.7Very high46 Ų4640.5 Ų40.532%0.32223%0.229SC..  trans-155.3163.4175.276.20000110G268 Q269 F270S266-G268 VanDerWaalsContact C-N 3.25Å; S266-G268 PolarHBondContact O-N 2.66Å; S266-Q269 VanDerWaalsContact N-OE1 3.12Å; S266-Q269 PolarHBondContact O-N 3.16Å; S266-Q269 VanDerWaalsContact O-N 3.16Å; S266-Q269 WeakPolarHBondContact OG-CG 3.36Å; S266-Q269 PolarHBondContact OG-N 3.34Å; S266-Q269 VanDerWaalsContact OG-N 3.13Å; S266-F270 PolarHBondContact O-N 3.35Å
267I95.2Very high93.6Very high64 Ų6441.6 Ų41.633%0.32823%0.233SC..Hα-helixtrans-58.9-40.3176.9-59.3175.9000110.8F181 A182 L185 F270 Q271F181-I267 HydrophobicContact CD1-CD1 4.14Å; F181-I267 HydrophobicContact CE1-CD1 4.47Å; A182-I267 HydrophobicContact CB-CG1 4.05Å; L185-I267 HydrophobicContact CD2-CG1 4.23Å; L185-I267 HydrophobicContact CD2-CG2 3.99Å; I267-F270 PolarHBondContact O-N 3.12Å; I267-Q271 HydrophobicContact CG2-CG 4.5Å; I267-Q271 WeakPolarHBondContact O-CB 3.32Å; I267-Q271 WeakPolarHBondContact O-CG 3.2Å; I267-Q271 PolarHBondContact O-N 3.33Å
268G94.8Very high93.4Very high35 Ų3540.6 Ų40.636%0.36123%0.226SC..Hα-helixtrans-66.3-37177.700000113S266 S272S266-G268 VanDerWaalsContact C-N 3.25Å; S266-G268 PolarHBondContact O-N 2.66Å; G268-S272 WeakPolarHBondContact O-CB 3.39Å; G268-S272 PolarHBondContact O-N 3.24Å; G268-S272 PolarHBondContact O-OG 2.83Å
269Q93Very high93.2Very high101 Ų10141.2 Ų41.247%0.47223%0.228SC..Hα-helixtrans-67.4-41.7174.1-74.9174.9-36.500111.5S266 S272 R273S266-Q269 VanDerWaalsContact N-OE1 3.12Å; S266-Q269 PolarHBondContact O-N 3.16Å; S266-Q269 VanDerWaalsContact O-N 3.16Å; S266-Q269 WeakPolarHBondContact OG-CG 3.36Å; S266-Q269 PolarHBondContact OG-N 3.34Å; S266-Q269 VanDerWaalsContact OG-N 3.13Å; Q269-S272 PolarHBondContact O-N 3.01Å; Q269-R273 WeakPolarHBondContact O-CB 3.41Å; Q269-R273 PolarHBondContact O-N 3.22Å
270F94.4Very high93Very high3 Ų339.8 Ų39.81%0.01322%0.221CC..Hα-helixtrans-59.9-50173.4172.7-111.4000111.4L185 E186 Y189 S266 I267 S272 R273 M274 M359L185-F270 HydrophobicContact CD2-CD1 3.94Å; L185-F270 HydrophobicContact CD2-CE1 4.21Å; L185-F270 HydrophobicContact CG-CD1 4.24Å; L185-F270 HydrophobicContact CG-CE1 4.16Å; E186-F270 HydrophobicContact CB-CD2 4.49Å; E186-F270 HydrophobicContact CG-CB 4.02Å; E186-F270 HydrophobicContact CG-CD2 3.59Å; E186-F270 HydrophobicContact CG-CE2 4.29Å; E186-F270 HydrophobicContact CG-CG 3.93Å; Y189-F270 AromaticContact CD1-CE2 3.9Å; Y189-F270 HydrophobicContact CD1-CE2 3.9Å; Y189-F270 HydrophobicContact CD1-CZ 4.11Å; Y189-F270 HydrophobicContact CD2-CZ 4.09Å; Y189-F270 AromaticContact CG-CE2 3.92Å; Y189-F270 HydrophobicContact CG-CE2 3.92Å; Y189-F270 AromaticContact CG-CZ 3.65Å; Y189-F270 HydrophobicContact CG-CZ 3.65Å; S266-F270 PolarHBondContact O-N 3.35Å; I267-F270 PolarHBondContact O-N 3.12Å; F270-S272 PolarHBondContact O-N 3.38Å; F270-R273 WeakPolarHBondContact O-CB 3.42Å; F270-R273 PolarHBondContact O-N 3.07Å; F270-M274 HydrophobicContact CD1-CG 4.48Å; F270-M274 HydrophobicContact CD2-CG 3.93Å; F270-M274 HydrophobicContact CE1-CG 4.07Å; F270-M274 HydrophobicContact CE2-CG 3.48Å; F270-M274 VanDerWaalsContact CE2-CG 3.48Å; F270-M274 HydrophobicContact CE2-SD 3.94Å; F270-M274 HydrophobicContact CG-CG 4.43Å; F270-M274 HydrophobicContact CZ-CG 3.56Å; F270-M274 HydrophobicContact CZ-SD 4.25Å; F270-M274 WeakPolarHBondContact O-CB 3.42Å; F270-M274 WeakPolarHBondContact O-CG 3.35Å; F270-M274 PolarHBondContact O-N 3.44Å; F270-M359 HydrophobicContact CD1-CE 4.25Å; F270-M359 HydrophobicContact CE1-CE 4.23Å
271Q94.3Very high92.7Very high47 Ų4741.5 Ų41.522%0.2223%0.227CC..Hα-helixtrans-56.3-50175.8-79.2178.8-13.100111.9I267 R273 M274 I275 M359I267-Q271 HydrophobicContact CG2-CG 4.5Å; I267-Q271 WeakPolarHBondContact O-CB 3.32Å; I267-Q271 WeakPolarHBondContact O-CG 3.2Å; I267-Q271 PolarHBondContact O-N 3.33Å; Q271-R273 VanDerWaalsContact C-N 3.27Å; Q271-R273 PolarHBondContact O-N 3.01Å; Q271-M274 PolarHBondContact O-N 3.41Å; Q271-M274 VanDerWaalsContact O-N 3.15Å; Q271-I275 WeakPolarHBondContact O-CB 3.15Å; Q271-I275 VanDerWaalsContact O-CG1 3.28Å; Q271-I275 WeakPolarHBondContact O-CG1 3.34Å; Q271-I275 PolarHBondContact O-N 2.94Å; Q271-M359 HydrophobicContact CG-CE 3.26Å
272S92.9Very high92.4Very high77 Ų7741.9 Ų41.954%0.53823%0.228SC..Hα-helixtrans-58.5-41.3179.3-60.90000111.8G268 Q269 F270 R276G268-S272 WeakPolarHBondContact O-CB 3.39Å; G268-S272 PolarHBondContact O-N 3.24Å; G268-S272 PolarHBondContact O-OG 2.83Å; Q269-S272 PolarHBondContact O-N 3.01Å; F270-S272 PolarHBondContact O-N 3.38Å; S272-R276 WeakPolarHBondContact O-CB 3.49Å; S272-R276 PolarHBondContact O-N 3.38Å
273R92.1Very high92.3Very high48 Ų4841.6 Ų41.618%0.18122%0.224CC..Hα-helixtrans-64.5-46.5175.9179.4-179.9176.8175.82.4111.6Q269 F270 Q271 R276 W277Q269-R273 WeakPolarHBondContact O-CB 3.41Å; Q269-R273 PolarHBondContact O-N 3.22Å; F270-R273 WeakPolarHBondContact O-CB 3.42Å; F270-R273 PolarHBondContact O-N 3.07Å; Q271-R273 VanDerWaalsContact C-N 3.27Å; Q271-R273 PolarHBondContact O-N 3.01Å; R273-R276 PolarHBondContact O-N 3.49Å; R273-W277 PolarHBondContact O-N 3.39Å
274M93.9Very high92.2Very high7 Ų741.8 Ų41.83%0.03422%0.219CC..Hα-helixtrans-66.1-40.8-179.2-75.1-51.1-55.700112.6Y189 F270 Q271 W277 T278 I363Y189-M274 HydrophobicContact CD1-SD 4.17Å; Y189-M274 HydrophobicContact CD2-CE 4.32Å; Y189-M274 HydrophobicContact CE1-CE 3.96Å; Y189-M274 HydrophobicContact CE1-SD 3.59Å; Y189-M274 VanDerWaalsContact CE1-SD 3.59Å; Y189-M274 HydrophobicContact CE2-CE 3.42Å; Y189-M274 VanDerWaalsContact CE2-CE 3.42Å; Y189-M274 HydrophobicContact CE2-SD 4.04Å; Y189-M274 VanDerWaalsContact CZ-SD 3.53Å; Y189-M274 WeakPolarHBondContact OH-CE 3.43Å; F270-M274 HydrophobicContact CD1-CG 4.48Å; F270-M274 HydrophobicContact CD2-CG 3.93Å; F270-M274 HydrophobicContact CE1-CG 4.07Å; F270-M274 HydrophobicContact CE2-CG 3.48Å; F270-M274 VanDerWaalsContact CE2-CG 3.48Å; F270-M274 HydrophobicContact CE2-SD 3.94Å; F270-M274 HydrophobicContact CG-CG 4.43Å; F270-M274 HydrophobicContact CZ-CG 3.56Å; F270-M274 HydrophobicContact CZ-SD 4.25Å; F270-M274 WeakPolarHBondContact O-CB 3.42Å; F270-M274 WeakPolarHBondContact O-CG 3.35Å; F270-M274 PolarHBondContact O-N 3.44Å; Q271-M274 PolarHBondContact O-N 3.41Å; Q271-M274 VanDerWaalsContact O-N 3.15Å; M274-W277 PolarHBondContact O-N 2.64Å; M274-W277 HydrophobicContact SD-CE3 4.33Å; M274-T278 WeakPolarHBondContact O-CB 3.41Å; M274-T278 PolarHBondContact O-N 2.86Å; M274-T278 PolarHBondContact O-OG1 3.16Å; M274-I363 HydrophobicContact CB-CD1 3.89Å; M274-I363 HydrophobicContact CB-CG1 4.49Å; M274-I363 HydrophobicContact CB-CG2 3.99Å; M274-I363 HydrophobicContact CG-CD1 4.47Å
275I93.8Very high92.2Very high32 Ų3241 Ų4116%0.16421%0.211CC..Hα-helixtrans-59.1-50.8172.3-71.5167.1000109.5Q271 W277 T278 K279 I363 A367Q271-I275 WeakPolarHBondContact O-CB 3.15Å; Q271-I275 VanDerWaalsContact O-CG1 3.28Å; Q271-I275 WeakPolarHBondContact O-CG1 3.34Å; Q271-I275 PolarHBondContact O-N 2.94Å; I275-W277 VanDerWaalsContact C-N 3.35Å; I275-W277 PolarHBondContact O-N 3.36Å; I275-T278 PolarHBondContact O-N 2.77Å; I275-T278 VanDerWaalsContact O-N 3.13Å; I275-K279 HydrophobicContact CG2-CD 4.3Å; I275-K279 VanDerWaalsContact CG2-CE 3.48Å; I275-K279 HydrophobicContact CG2-CG 4.48Å; I275-K279 WeakPolarHBondContact O-CG 3.4Å; I275-K279 PolarHBondContact O-N 3.19Å; I275-I363 HydrophobicContact CG1-CB 4.32Å; I275-I363 HydrophobicContact CG1-CG1 4.33Å; I275-I363 HydrophobicContact CG1-CG2 3.97Å; I275-A367 HydrophobicContact CG2-CB 4.39Å
276R92.9Very high91.7Very high68 Ų6841.2 Ų41.226%0.25722%0.221SC..Hα-helixtrans-57.4-45.9178.1-179.3177.866-153.3-0.3112.4S272 R273 T278 K279 L280 I373S272-R276 WeakPolarHBondContact O-CB 3.49Å; S272-R276 PolarHBondContact O-N 3.38Å; R273-R276 PolarHBondContact O-N 3.49Å; R276-T278 VanDerWaalsContact C-N 3.29Å; R276-T278 PolarHBondContact O-N 3.4Å; R276-K279 PolarHBondContact O-N 2.93Å; R276-L280 HydrophobicContact CG-CD1 4.4Å; R276-L280 WeakPolarHBondContact O-CG 3.33Å; R276-L280 PolarHBondContact O-N 3.41Å; R276-I373 HydrophobicContact CG-CD1 4.02Å; R276-I373 HydrophobicContact CG-CG1 4.21Å; R276-I373 HydrophobicContact CG-CG2 3.69Å
277W92.4Very high91.3Very high43 Ų4342.5 Ų42.516%0.16323%0.234CC..Hα-helixtrans-63.7-36.8178.2-76.97.2000112.3F190 M212 R273 M274 I275 L280 R281F190-W277 HydrophobicContact CE1-CH2 4.09Å; F190-W277 AromaticContact CE1-CZ3 3.98Å; F190-W277 HydrophobicContact CE1-CZ3 3.98Å; F190-W277 AromaticContact CZ-CH2 3.95Å; F190-W277 HydrophobicContact CZ-CH2 3.95Å; F190-W277 AromaticContact CZ-CZ3 3.93Å; F190-W277 HydrophobicContact CZ-CZ3 3.93Å; M212-W277 HydrophobicContact CE-CH2 3.64Å; M212-W277 HydrophobicContact CE-CZ2 4.19Å; M212-W277 HydrophobicContact SD-CH2 4.41Å; R273-W277 PolarHBondContact O-N 3.39Å; M274-W277 PolarHBondContact O-N 2.64Å; M274-W277 HydrophobicContact SD-CE3 4.33Å; I275-W277 VanDerWaalsContact C-N 3.35Å; I275-W277 PolarHBondContact O-N 3.36Å; W277-L280 PolarHBondContact O-N 3.05Å; W277-R281 VanDerWaalsContact C-NH1 3.26Å; W277-R281 WeakPolarHBondContact O-CG 3.45Å; W277-R281 PolarHBondContact O-N 2.94Å; W277-R281 PolarHBondContact O-NH1 3.39Å
278T92.8Very high90.8Very high4 Ų440.8 Ų40.83%0.02523%0.227CC..Hα-helixtrans-67.9-43.1176.3-53.70000111.3M274 I275 R276 L280 R281 I282 F364 A367M274-T278 WeakPolarHBondContact O-CB 3.41Å; M274-T278 PolarHBondContact O-N 2.86Å; M274-T278 PolarHBondContact O-OG1 3.16Å; I275-T278 PolarHBondContact O-N 2.77Å; I275-T278 VanDerWaalsContact O-N 3.13Å; R276-T278 VanDerWaalsContact C-N 3.29Å; R276-T278 PolarHBondContact O-N 3.4Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 3.13Å; T278-R281 PolarHBondContact O-N 3.45Å; T278-R281 PolarHBondContact OG1-NH2 2.93Å; T278-R281 VanDerWaalsContact OG1-NH2 3.16Å; T278-I282 HydrophobicContact CG2-CD1 3.83Å; T278-I282 HydrophobicContact CG2-CG1 4.43Å; T278-I282 WeakPolarHBondContact O-CG1 3.4Å; T278-I282 PolarHBondContact O-N 3.36Å; T278-F364 HydrophobicContact CG2-CD2 3.7Å; T278-F364 HydrophobicContact CG2-CE2 4.32Å; T278-A367 HydrophobicContact CG2-CB 3.68Å
279K92.1Very high90.4Very high17 Ų1742.6 Ų42.67%0.07423%0.231CC..Hα-helixtrans-54.7-45.9172.2-69.1-180-173.4-162.30111.6I275 R276 N283 A367 D370 T372 I373 L382I275-K279 HydrophobicContact CG2-CD 4.3Å; I275-K279 VanDerWaalsContact CG2-CE 3.48Å; I275-K279 HydrophobicContact CG2-CG 4.48Å; I275-K279 WeakPolarHBondContact O-CG 3.4Å; I275-K279 PolarHBondContact O-N 3.19Å; R276-K279 PolarHBondContact O-N 2.93Å; K279-N283 PolarHBondContact O-N 3.12Å; K279-N283 PolarHBondContact O-ND2 3.36Å; K279-A367 HydrophobicContact CG-CB 3.72Å; K279-D370 VanDerWaalsContact CD-O 3.28Å; K279-D370 WeakPolarHBondContact CD-O 3.32Å; K279-D370 WeakPolarHBondContact CE-O 3.43Å; K279-D370 PolarHBondContact NZ-O 3.18Å; K279-D370 IonicContact NZ-OD2 3.46Å; K279-D370 PolarHBondContact NZ-OD2 2.9Å; K279-T372 WeakPolarHBondContact CD-O 3.26Å; K279-T372 PolarHBondContact NZ-O 3.38Å; K279-I373 HydrophobicContact CB-CD1 4.02Å; K279-I373 HydrophobicContact CB-CG1 4.18Å; K279-I373 HydrophobicContact CD-CG1 3.97Å; K279-L382 HydrophobicContact CB-CD1 4.19Å; K279-L382 WeakPolarHBondContact O-CD1 3.35Å
280L90.9Very high90.2Very high17 Ų1742.9 Ų42.99%0.08924%0.235CC..Hα-helixtrans-59.8-54.7176.4-71.3166.1000110.8I234 A235 R276 W277 T278 I282 N283 M284 I373 L382I234-L280 HydrophobicContact CB-CD2 3.86Å; I234-L280 HydrophobicContact CG2-CD1 4.43Å; I234-L280 HydrophobicContact CG2-CD2 3.83Å; A235-L280 HydrophobicContact CB-CD2 4.28Å; R276-L280 HydrophobicContact CG-CD1 4.4Å; R276-L280 WeakPolarHBondContact O-CG 3.33Å; R276-L280 PolarHBondContact O-N 3.41Å; W277-L280 PolarHBondContact O-N 3.05Å; T278-L280 VanDerWaalsContact C-N 3.31Å; T278-L280 PolarHBondContact O-N 3.13Å; L280-I282 PolarHBondContact O-N 2.93Å; L280-N283 PolarHBondContact O-N 2.85Å; L280-N283 VanDerWaalsContact O-N 3.12Å; L280-M284 HydrophobicContact CB-SD 3.79Å; L280-M284 WeakPolarHBondContact O-CB 3.45Å; L280-M284 WeakPolarHBondContact O-CG 3.48Å; L280-M284 PolarHBondContact O-N 3.15Å; L280-I373 HydrophobicContact CD1-CD1 4.46Å; L280-I373 HydrophobicContact CD2-CD1 3.67Å; L280-I373 HydrophobicContact CG-CD1 3.65Å; L280-L382 HydrophobicContact CD2-CD1 3.97Å; L280-L382 HydrophobicContact CD2-CD2 3.8Å; L280-L382 HydrophobicContact CG-CD1 4.4Å
281R90.3Very high89.9Confident50 Ų5045.6 Ų45.619%0.18925%0.247CC..Hα-helixtrans-56.7-45-177-75.3-165.6-56.2-76.74.5113.2W277 T278 N283 M284 V285 T288 E291W277-R281 VanDerWaalsContact C-NH1 3.26Å; W277-R281 WeakPolarHBondContact O-CG 3.45Å; W277-R281 PolarHBondContact O-N 2.94Å; W277-R281 PolarHBondContact O-NH1 3.39Å; T278-R281 PolarHBondContact O-N 3.45Å; T278-R281 PolarHBondContact OG1-NH2 2.93Å; T278-R281 VanDerWaalsContact OG1-NH2 3.16Å; R281-N283 VanDerWaalsContact C-N 3.29Å; R281-N283 PolarHBondContact O-N 3.38Å; R281-M284 PolarHBondContact O-N 2.87Å; R281-V285 CarbonylContact O-C 3.5Å; R281-V285 PolarHBondContact O-N 3.33Å; R281-T288 VanDerWaalsContact C-OG1 3.26Å; R281-T288 HydrophobicContact CB-CG2 4.2Å; R281-T288 PolarHBondContact O-OG1 2.74Å; R281-E291 IonicContact CZ-OE1 2.86Å; R281-E291 IonicContact CZ-OE2 3.6Å; R281-E291 IonicContact NE-OE1 2.74Å; R281-E291 PolarHBondContact NE-OE1 3.02Å; R281-E291 IonicContact NE-OE2 3.06Å; R281-E291 PolarHBondContact NE-OE2 2.85Å; R281-E291 IonicContact NH2-OE1 3.95Å; R281-E291 PolarHBondContact NH2-OE1 3.34Å; R281-E291 IonicContact NH2-OE2 3.49Å; R281-E291 PolarHBondContact NH2-OE2 3.45Å
282I89.8Confident89.8Confident24 Ų2444 Ų4412%0.12324%0.242CC..Hα-helixtrans-59.1-41.4179.1-67.8166.7000111.3T278 L280 T288 V289 F364 A367 L368T278-I282 HydrophobicContact CG2-CD1 3.83Å; T278-I282 HydrophobicContact CG2-CG1 4.43Å; T278-I282 WeakPolarHBondContact O-CG1 3.4Å; T278-I282 PolarHBondContact O-N 3.36Å; L280-I282 PolarHBondContact O-N 2.93Å; I282-T288 VanDerWaalsContact CA-OG1 3.28Å; I282-T288 WeakPolarHBondContact CA-OG1 3.39Å; I282-T288 PolarHBondContact N-OG1 2.92Å; I282-V289 HydrophobicContact CG2-CG1 4.26Å; I282-F364 HydrophobicContact CD1-CD2 4.3Å; I282-F364 HydrophobicContact CD1-CE2 3.75Å; I282-F364 HydrophobicContact CD1-CZ 4.14Å; I282-F364 HydrophobicContact CG1-CE2 4.22Å; I282-A367 HydrophobicContact CD1-CB 4.47Å; I282-L368 HydrophobicContact CD1-CD2 3.81Å; I282-L368 HydrophobicContact CD1-CG 4.32Å; I282-L368 HydrophobicContact CG2-CD2 4.44Å
283N87.9Confident89.9Confident33 Ų3341.8 Ų41.818%0.17622%0.224CC..Hα-helixtrans-80.2-21.8-178.8-74.6-78.4000113.7K279 L280 R281 L382 G385 G386K279-N283 PolarHBondContact O-N 3.12Å; K279-N283 PolarHBondContact O-ND2 3.36Å; L280-N283 PolarHBondContact O-N 2.85Å; L280-N283 VanDerWaalsContact O-N 3.12Å; R281-N283 VanDerWaalsContact C-N 3.29Å; R281-N283 PolarHBondContact O-N 3.38Å; N283-L382 HydrophobicContact CB-CB 3.97Å; N283-L382 HydrophobicContact CB-CD1 4.06Å; N283-G385 PolarHBondContact O-N 2.76Å; N283-G386 PolarHBondContact O-N 3.06Å
284M88.1Confident89.9Confident28 Ų2840.4 Ų40.414%0.13822%0.222CC..Hα-helixtrans-87.1-41.5178.3-64.8155.866.400112.4A235 Y238 F239 L280 R281A235-M284 HydrophobicContact CB-CE 3.44Å; A235-M284 VanDerWaalsContact CB-CE 3.44Å; A235-M284 HydrophobicContact CB-SD 3.4Å; A235-M284 WeakPolarHBondContact CB-SD 3.3Å; Y238-M284 HydrophobicContact CD1-CB 4.48Å; Y238-M284 HydrophobicContact CD1-CE 3.14Å; Y238-M284 HydrophobicContact CD2-CE 3.98Å; Y238-M284 HydrophobicContact CE1-CB 4.29Å; Y238-M284 HydrophobicContact CE1-CE 3.95Å; Y238-M284 HydrophobicContact CG-CE 3.14Å; F239-M284 HydrophobicContact CE2-CE 4.31Å; F239-M284 HydrophobicContact CE2-CG 3.93Å; F239-M284 HydrophobicContact CZ-CB 4.44Å; F239-M284 HydrophobicContact CZ-CG 4.05Å; L280-M284 HydrophobicContact CB-SD 3.79Å; L280-M284 WeakPolarHBondContact O-CB 3.45Å; L280-M284 WeakPolarHBondContact O-CG 3.48Å; L280-M284 PolarHBondContact O-N 3.15Å; R281-M284 PolarHBondContact O-N 2.87Å
285V87.2Confident90Very high49 Ų4940.9 Ų40.930%0.29722%0.224SC..  trans-138.292.1-176.3-176.20000107.9Y238 R281 A287 T288Y238-V285 HydrophobicContact CE1-CG2 4.45Å; Y238-V285 HydrophobicContact CE2-CG2 4.27Å; Y238-V285 WeakPolarHBondContact OH-CG2 3.46Å; R281-V285 CarbonylContact O-C 3.5Å; R281-V285 PolarHBondContact O-N 3.33Å; V285-A287 HydrophobicContact CG1-CB 4.3Å; V285-A287 PolarHBondContact O-N 3.49Å; V285-T288 HydrophobicContact CB-CG2 4Å; V285-T288 HydrophobicContact CG1-CG2 4.2Å; V285-T288 WeakPolarHBondContact O-CB 3.35Å; V285-T288 WeakPolarHBondContact O-CG2 3.39Å; V285-T288 PolarHBondContact O-N 2.86Å; V285-T288 PolarHBondContact O-OG1 3.41Å
286P82.7Confident90.1Very high73 Ų7339.4 Ų39.447%0.47422%0.217SC..G310 helixtrans-56.5-25.7-174.9-29.436.3000114.7T288 V289P286-T288 PolarHBondContact O-N 2.97Å; P286-T288 VanDerWaalsContact O-N 3.09Å; P286-V289 WeakPolarHBondContact O-CG1 3.29Å; P286-V289 VanDerWaalsContact O-CG2 3.29Å; P286-V289 WeakPolarHBondContact O-CG2 3.48Å; P286-V289 PolarHBondContact O-N 3.17Å; P286-V289 VanDerWaalsContact O-N 3.12Å
287A85.3Confident90.3Very high73 Ų7338.2 Ų38.260%0.60321%0.213SC*.G310 helixtrans-60.2-18.5174.600000113.8V285 V289 L290V285-A287 HydrophobicContact CG1-CB 4.3Å; V285-A287 PolarHBondContact O-N 3.49Å; A287-V289 PolarHBondContact O-N 2.77Å; A287-V289 VanDerWaalsContact O-N 3.1Å; A287-L290 PolarHBondContact O-N 3.06Å
288T85.9Confident90.5Very high28 Ų2839 Ų3917%0.17222%0.221CC..G310 helixtrans-66-6.5174.757.70000113.4R281 I282 V285 P286 L290 E291R281-T288 VanDerWaalsContact C-OG1 3.26Å; R281-T288 HydrophobicContact CB-CG2 4.2Å; R281-T288 PolarHBondContact O-OG1 2.74Å; I282-T288 VanDerWaalsContact CA-OG1 3.28Å; I282-T288 WeakPolarHBondContact CA-OG1 3.39Å; I282-T288 PolarHBondContact N-OG1 2.92Å; V285-T288 HydrophobicContact CB-CG2 4Å; V285-T288 HydrophobicContact CG1-CG2 4.2Å; V285-T288 WeakPolarHBondContact O-CB 3.35Å; V285-T288 WeakPolarHBondContact O-CG2 3.39Å; V285-T288 PolarHBondContact O-N 2.86Å; V285-T288 PolarHBondContact O-OG1 3.41Å; P286-T288 PolarHBondContact O-N 2.97Å; P286-T288 VanDerWaalsContact O-N 3.09Å; T288-L290 PolarHBondContact O-N 3.4Å; T288-L290 VanDerWaalsContact O-N 3.14Å; T288-E291 WeakPolarHBondContact O-CB 3.43Å; T288-E291 PolarHBondContact O-N 3.23Å
289V86.5Confident90.7Very high73 Ų7338.9 Ų38.944%0.44222%0.22SC..G310 helixtrans-60.7-20.8169.6-63.30000113.6I282 P286 A287 P292 F364I282-V289 HydrophobicContact CG2-CG1 4.26Å; P286-V289 WeakPolarHBondContact O-CG1 3.29Å; P286-V289 VanDerWaalsContact O-CG2 3.29Å; P286-V289 WeakPolarHBondContact O-CG2 3.48Å; P286-V289 PolarHBondContact O-N 3.17Å; P286-V289 VanDerWaalsContact O-N 3.12Å; A287-V289 PolarHBondContact O-N 2.77Å; A287-V289 VanDerWaalsContact O-N 3.1Å; V289-P292 WeakPolarHBondContact O-CD 3.32Å; V289-F364 HydrophobicContact CB-CZ 4.3Å; V289-F364 WeakPolarHBondContact O-CZ 3.41Å
290L87.8Confident91Very high106 Ų10638 Ų3856%0.55522%0.216SC*.G310 helixtrans-86.3-3.9175-61.6178.3000113.1A287 T288 P292 V293A287-L290 PolarHBondContact O-N 3.06Å; T288-L290 PolarHBondContact O-N 3.4Å; T288-L290 VanDerWaalsContact O-N 3.14Å; L290-P292 VanDerWaalsContact C-N 3.31Å; L290-V293 HydrophobicContact CB-CG2 4.37Å; L290-V293 WeakPolarHBondContact O-CG2 3.25Å; L290-V293 PolarHBondContact O-N 3.41Å
291E89.1Confident91.3Very high60 Ų6041 Ų4128%0.2823%0.231SC..G310 helixtrans-51.8-39.7-178.4-169177.4153.700113.7R281 T288 V293 S294R281-E291 IonicContact CZ-OE1 2.86Å; R281-E291 IonicContact CZ-OE2 3.6Å; R281-E291 IonicContact NE-OE1 2.74Å; R281-E291 PolarHBondContact NE-OE1 3.02Å; R281-E291 IonicContact NE-OE2 3.06Å; R281-E291 PolarHBondContact NE-OE2 2.85Å; R281-E291 IonicContact NH2-OE1 3.95Å; R281-E291 PolarHBondContact NH2-OE1 3.34Å; R281-E291 IonicContact NH2-OE2 3.49Å; R281-E291 PolarHBondContact NH2-OE2 3.45Å; T288-E291 WeakPolarHBondContact O-CB 3.43Å; T288-E291 PolarHBondContact O-N 3.23Å; E291-V293 PolarHBondContact O-N 2.59Å; E291-V293 VanDerWaalsContact O-N 3.15Å; E291-S294 WeakPolarHBondContact O-CB 3.47Å; E291-S294 PolarHBondContact O-N 3.05Å; E291-S294 PolarHBondContact O-OG 2.82Å
292P91.7Very high91.6Very high15 Ų1539.5 Ų39.510%0.09723%0.227CC..G310 helixtrans-59.2-29.5177.9-26.236.4000114.3V289 L290 S294 E295 L298 F364V289-P292 WeakPolarHBondContact O-CD 3.32Å; L290-P292 VanDerWaalsContact C-N 3.31Å; P292-S294 PolarHBondContact O-N 3.45Å; P292-E295 PolarHBondContact O-N 3.19Å; P292-L298 HydrophobicContact CB-CD2 4.06Å; P292-F364 HydrophobicContact CG-CB 3.94Å; P292-F364 HydrophobicContact CG-CD1 3.5Å; P292-F364 VanDerWaalsContact CG-CD1 3.5Å; P292-F364 HydrophobicContact CG-CD2 3.49Å; P292-F364 VanDerWaalsContact CG-CD2 3.49Å; P292-F364 HydrophobicContact CG-CE1 3.77Å; P292-F364 HydrophobicContact CG-CE2 3.79Å; P292-F364 HydrophobicContact CG-CG 3.35Å; P292-F364 HydrophobicContact CG-CZ 3.93Å
293V93.9Very high92Very high29 Ų2938.5 Ų38.518%0.17622%0.222CC..G310 helixtrans-71.5-10.4179.9-47.10000112.4L18 L290 E291 L298 A299 I302L18-V293 HydrophobicContact CD1-CG2 4.19Å; L290-V293 HydrophobicContact CB-CG2 4.37Å; L290-V293 WeakPolarHBondContact O-CG2 3.25Å; L290-V293 PolarHBondContact O-N 3.41Å; E291-V293 PolarHBondContact O-N 2.59Å; E291-V293 VanDerWaalsContact O-N 3.15Å; V293-L298 HydrophobicContact CG1-CD2 4.19Å; V293-A299 WeakPolarHBondContact O-CB 3.39Å; V293-I302 HydrophobicContact CB-CD1 4.21Å; V293-I302 HydrophobicContact CG1-CD1 4.25Å
294S93.3Very high92.4Very high19 Ų1936.9 Ų36.913%0.13321%0.213CC..G310 helixtrans-91.8-3176.874.40000113.8E291 P292 W326E291-S294 WeakPolarHBondContact O-CB 3.47Å; E291-S294 PolarHBondContact O-N 3.05Å; E291-S294 PolarHBondContact O-OG 2.82Å; P292-S294 PolarHBondContact O-N 3.45Å; S294-W326 WeakPolarHBondContact O-CH2 3.41Å; S294-W326 WeakPolarHBondContact O-CZ2 3.48Å
295E94.9Very high92.9Very high18 Ų1838.5 Ų38.58%0.08422%0.218CC..SBendtrans-91.5150.9177.5-62-65.6117.500111.2R196 P292 F297 L298 A299 R356R196-E295 IonicContact NH2-OE1 3.62Å; P292-E295 PolarHBondContact O-N 3.19Å; E295-F297 PolarHBondContact O-N 2.9Å; E295-L298 PolarHBondContact O-N 3.29Å; E295-A299 WeakPolarHBondContact O-CB 3.33Å; E295-A299 PolarHBondContact O-N 3.19Å; E295-R356 IonicContact OE2-CZ 2.84Å; E295-R356 IonicContact OE2-NH1 2.85Å; E295-R356 PolarHBondContact OE2-NH1 2.91Å
296C97.3Very high93.4Very high0 Ų036.2 Ų36.20%020%0.204CC..Hα-helixtrans-56.9-51.4-160.8-178.10000112.6S300 W326 W353 E357C296-S300 WeakPolarHBondContact O-CB 3.35Å; C296-S300 PolarHBondContact O-N 3.47Å; C296-S300 PolarHBondContact O-OG 3.42Å; C296-W326 HydrophobicContact CB-CD2 3.81Å; C296-W326 HydrophobicContact CB-CE3 4.49Å; C296-W326 HydrophobicContact CB-CG 3.88Å; C296-W326 HydrophobicContact CB-CZ2 4.25Å; C296-W326 VanDerWaalsContact SG-CB 3.59Å; C296-W353 HydrophobicContact CB-CH2 4.1Å; C296-W353 HydrophobicContact CB-CZ2 3.92Å; C296-E357 HydrophobicContact CB-CG 4.18Å; C296-E357 WeakPolarHBondContact CB-OE1 3.38Å; C296-E357 VanDerWaalsContact CB-OE2 3.27Å; C296-E357 WeakPolarHBondContact CB-OE2 3.3Å; C296-E357 PolarHBondContact N-OE2 3.44Å
297F96.9Very high94.1Very high43 Ų4332.9 Ų32.919%0.18918%0.182CC..Hα-helixtrans-66.5-47.7-172.9-64.1-24.7000112.4E295 S300 L301 F319 W353 F354 E357E295-F297 PolarHBondContact O-N 2.9Å; F297-S300 PolarHBondContact O-N 3.2Å; F297-L301 WeakPolarHBondContact O-CG 3.1Å; F297-L301 PolarHBondContact O-N 3.01Å; F297-L301 VanDerWaalsContact O-N 3.11Å; F297-F319 HydrophobicContact CD1-CZ 4.23Å; F297-W353 AromaticContact CE1-CH2 3.94Å; F297-W353 HydrophobicContact CE1-CH2 3.94Å; F297-W353 AromaticContact CE1-CZ3 3.81Å; F297-W353 HydrophobicContact CE1-CZ3 3.81Å; F297-W353 HydrophobicContact CZ-CH2 4.47Å; F297-W353 AromaticContact CZ-CZ3 3.97Å; F297-W353 HydrophobicContact CZ-CZ3 3.97Å; F297-F354 HydrophobicContact CE2-CD2 4.19Å; F297-F354 HydrophobicContact CE2-CE2 4.06Å; F297-F354 HydrophobicContact CE2-CZ 4.5Å; F297-F354 AromaticContact CZ-CD2 3.6Å; F297-F354 HydrophobicContact CZ-CD2 3.6Å; F297-F354 AromaticContact CZ-CE2 3.69Å; F297-F354 HydrophobicContact CZ-CE2 3.69Å; F297-F354 HydrophobicContact CZ-CG 4.39Å; F297-E357 HydrophobicContact CD2-CB 3.81Å; F297-E357 HydrophobicContact CE1-CB 4.36Å; F297-E357 HydrophobicContact CE2-CB 3.53Å; F297-E357 HydrophobicContact CG-CB 4.34Å; F297-E357 HydrophobicContact CZ-CB 3.81Å
298L96.1Very high94.6Very high61 Ų6133.3 Ų33.332%0.31917%0.172SC..Hα-helixtrans-68.1-42.2179.7-174.356.5000111.4P292 V293 E295 S300 L301 I302P292-L298 HydrophobicContact CB-CD2 4.06Å; V293-L298 HydrophobicContact CG1-CD2 4.19Å; E295-L298 PolarHBondContact O-N 3.29Å; L298-S300 PolarHBondContact O-N 3.26Å; L298-L301 PolarHBondContact O-N 3.38Å; L298-I302 HydrophobicContact CD1-CD1 4.3Å; L298-I302 HydrophobicContact CG-CD1 4.11Å; L298-I302 WeakPolarHBondContact O-CG1 3.48Å; L298-I302 PolarHBondContact O-N 3.22Å; L298-I302 VanDerWaalsContact O-N 3.11Å
299A97.2Very high95.1Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-58.7-46.9174.100000111.3L22 V293 E295 L301 I302 I303 W326L22-A299 HydrophobicContact CD1-CB 3.62Å; V293-A299 WeakPolarHBondContact O-CB 3.39Å; E295-A299 WeakPolarHBondContact O-CB 3.33Å; E295-A299 PolarHBondContact O-N 3.19Å; A299-L301 VanDerWaalsContact C-N 3.29Å; A299-L301 PolarHBondContact O-N 3.45Å; A299-I302 PolarHBondContact O-N 2.9Å; A299-I303 HydrophobicContact CB-CD1 4.17Å; A299-I303 WeakPolarHBondContact O-CB 3.48Å; A299-I303 WeakPolarHBondContact O-CD1 3.38Å; A299-I303 WeakPolarHBondContact O-CG1 2.99Å; A299-I303 PolarHBondContact O-N 3.43Å; A299-W326 HydrophobicContact CB-CH2 4.39Å; A299-W326 HydrophobicContact CB-CZ3 4.29Å
300S97.9Very high95.5Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-61.5-36.2-179.4-58.70000112.5C296 F297 L298 G304 F319 H322 C323C296-S300 WeakPolarHBondContact O-CB 3.35Å; C296-S300 PolarHBondContact O-N 3.47Å; C296-S300 PolarHBondContact O-OG 3.42Å; F297-S300 PolarHBondContact O-N 3.2Å; L298-S300 PolarHBondContact O-N 3.26Å; S300-G304 WeakPolarHBondContact O-CA 3.46Å; S300-G304 PolarHBondContact O-N 2.92Å; S300-F319 VanDerWaalsContact CB-CD2 3.42Å; S300-H322 PolarHBondContact OG-ND1 2.84Å; S300-C323 PolarHBondContact OG-SG 3.09Å
301L96.9Very high95.9Very high78 Ų7834.6 Ų34.641%0.40817%0.171SC..Hα-helixtrans-68-47.1175.6-71.2171.2000111.7F297 L298 A299 G304 W305 M315 F319F297-L301 WeakPolarHBondContact O-CG 3.1Å; F297-L301 PolarHBondContact O-N 3.01Å; F297-L301 VanDerWaalsContact O-N 3.11Å; L298-L301 PolarHBondContact O-N 3.38Å; A299-L301 VanDerWaalsContact C-N 3.29Å; A299-L301 PolarHBondContact O-N 3.45Å; L301-G304 PolarHBondContact O-N 2.65Å; L301-W305 WeakPolarHBondContact O-CB 3.4Å; L301-W305 PolarHBondContact O-N 3.24Å; L301-M315 HydrophobicContact CD2-CE 4.07Å; L301-M315 WeakPolarHBondContact O-CE 3.44Å; L301-F319 HydrophobicContact CD2-CD2 3.84Å; L301-F319 HydrophobicContact CD2-CE2 3.94Å; L301-F319 HydrophobicContact CG-CD2 4.07Å; L301-F319 HydrophobicContact CG-CE2 3.88Å
302I97.3Very high96.2Very high20 Ų2040.9 Ų40.910%0.10319%0.193CC..Hα-helixtrans-63.1-47.8179.4-66168.8000110.5F11 F14 L18 V293 L298 A299 W305 A306F11-I302 HydrophobicContact CE2-CG2 4.13Å; F11-I302 HydrophobicContact CZ-CG1 4.27Å; F11-I302 HydrophobicContact CZ-CG2 3.9Å; F14-I302 HydrophobicContact CD1-CG2 4.05Å; F14-I302 HydrophobicContact CE1-CG2 4.02Å; L18-I302 HydrophobicContact CD2-CB 4.35Å; L18-I302 HydrophobicContact CD2-CD1 4.39Å; L18-I302 HydrophobicContact CD2-CG2 4.07Å; V293-I302 HydrophobicContact CB-CD1 4.21Å; V293-I302 HydrophobicContact CG1-CD1 4.25Å; L298-I302 HydrophobicContact CD1-CD1 4.3Å; L298-I302 HydrophobicContact CG-CD1 4.11Å; L298-I302 WeakPolarHBondContact O-CG1 3.48Å; L298-I302 PolarHBondContact O-N 3.22Å; L298-I302 VanDerWaalsContact O-N 3.11Å; A299-I302 PolarHBondContact O-N 2.9Å; I302-W305 PolarHBondContact O-N 3.3Å; I302-A306 PolarHBondContact O-N 2.96Å
303I98Very high96.5Very high2 Ų246.8 Ų46.81%0.0121%0.213CC..Hα-helixtrans-68.4-42.2-179.1-60.5161.8000110.3G15 L18 F19 L22 A299 W305 A306 A307 F318G15-I303 WeakPolarHBondContact O-CG1 3.28Å; L18-I303 HydrophobicContact CD2-CG1 4.37Å; L18-I303 HydrophobicContact CG-CD1 4.5Å; F19-I303 HydrophobicContact CB-CD1 3.87Å; F19-I303 HydrophobicContact CB-CG1 4.04Å; F19-I303 HydrophobicContact CB-CG2 3.77Å; F19-I303 HydrophobicContact CD2-CD1 4.21Å; F19-I303 HydrophobicContact CD2-CG2 3.78Å; F19-I303 HydrophobicContact CG-CG2 4.11Å; L22-I303 HydrophobicContact CD1-CD1 4.42Å; A299-I303 HydrophobicContact CB-CD1 4.17Å; A299-I303 WeakPolarHBondContact O-CB 3.48Å; A299-I303 WeakPolarHBondContact O-CD1 3.38Å; A299-I303 WeakPolarHBondContact O-CG1 2.99Å; A299-I303 PolarHBondContact O-N 3.43Å; I303-W305 VanDerWaalsContact C-N 3.31Å; I303-W305 PolarHBondContact O-N 2.78Å; I303-A306 WeakPolarHBondContact O-CB 3.47Å; I303-A306 PolarHBondContact O-N 3.34Å; I303-A306 VanDerWaalsContact O-N 3.15Å; I303-A307 WeakPolarHBondContact O-CB 3.37Å; I303-A307 PolarHBondContact O-N 3Å; I303-F318 HydrophobicContact CB-CE1 4.05Å; I303-F318 HydrophobicContact CB-CZ 4.49Å; I303-F318 HydrophobicContact CG2-CE1 3.52Å; I303-F318 HydrophobicContact CG2-CZ 3.49Å; I303-F318 VanDerWaalsContact CG2-CZ 3.49Å
304G97.6Very high96.6Very high0 Ų050 Ų500%023%0.229CC..Hα-helixtrans-62.4-38.6177.600000112.5S300 L301 A307 H308S300-G304 WeakPolarHBondContact O-CA 3.46Å; S300-G304 PolarHBondContact O-N 2.92Å; L301-G304 PolarHBondContact O-N 2.65Å; G304-A307 PolarHBondContact O-N 3.21Å; G304-H308 WeakPolarHBondContact O-CB 3.43Å; G304-H308 PolarHBondContact O-N 3.44Å
305W97.8Very high96.7Very high62 Ų6251.8 Ų51.824%0.23524%0.236CC..Hα-helixtrans-62.2-45.8171.5179.189.8000111.7L8 F11 S12 L301 I302 I303 A307 H308 H309 M315L8-W305 HydrophobicContact CB-CH2 4.25Å; L8-W305 HydrophobicContact CD2-CH2 4.02Å; L8-W305 HydrophobicContact CD2-CZ2 3.69Å; L8-W305 WeakPolarHBondContact O-CH2 3.16Å; F11-W305 HydrophobicContact CB-CH2 4.13Å; F11-W305 HydrophobicContact CB-CZ3 3.88Å; F11-W305 AromaticContact CD1-CD2 3.86Å; F11-W305 HydrophobicContact CD1-CD2 3.86Å; F11-W305 AromaticContact CD1-CE3 3.25Å; F11-W305 HydrophobicContact CD1-CE3 3.25Å; F11-W305 AromaticContact CD1-CH2 3.6Å; F11-W305 HydrophobicContact CD1-CH2 3.6Å; F11-W305 HydrophobicContact CD1-CZ2 4.12Å; F11-W305 AromaticContact CD1-CZ3 3.13Å; F11-W305 HydrophobicContact CD1-CZ3 3.13Å; F11-W305 AromaticContact CE1-CD2 3.84Å; F11-W305 HydrophobicContact CE1-CD2 3.84Å; F11-W305 AromaticContact CE1-CE3 3.5Å; F11-W305 HydrophobicContact CE1-CE3 3.5Å; F11-W305 HydrophobicContact CE1-CG 4.44Å; F11-W305 AromaticContact CE1-CZ3 3.92Å; F11-W305 HydrophobicContact CE1-CZ3 3.92Å; F11-W305 HydrophobicContact CG-CE3 4.26Å; F11-W305 HydrophobicContact CG-CH2 4.34Å; F11-W305 AromaticContact CG-CZ3 3.85Å; F11-W305 HydrophobicContact CG-CZ3 3.85Å; S12-W305 WeakPolarHBondContact OG-CZ3 3.36Å; L301-W305 WeakPolarHBondContact O-CB 3.4Å; L301-W305 PolarHBondContact O-N 3.24Å; I302-W305 PolarHBondContact O-N 3.3Å; I303-W305 VanDerWaalsContact C-N 3.31Å; I303-W305 PolarHBondContact O-N 2.78Å; W305-A307 PolarHBondContact O-N 3.45Å; W305-H308 PolarHBondContact O-N 2.93Å; W305-H309 HydrophobicContact CH2-CB 4.31Å; W305-H309 HydrophobicContact CZ2-CB 4.47Å; W305-H309 HydrophobicContact CZ3-CB 4.43Å; W305-H309 WeakPolarHBondContact O-CB 3.39Å; W305-H309 PolarHBondContact O-N 3.45Å; W305-M315 HydrophobicContact CB-CE 4.05Å; W305-M315 HydrophobicContact CB-SD 4.39Å
306A97.2Very high96.8Very high0 Ų057 Ų570%026%0.262CS..Hα-helixtrans-62.6-41.8178.100000112I302 I303 H309 V310I302-A306 PolarHBondContact O-N 2.96Å; I303-A306 WeakPolarHBondContact O-CB 3.47Å; I303-A306 PolarHBondContact O-N 3.34Å; I303-A306 VanDerWaalsContact O-N 3.15Å; A306-H309 PolarHBondContact O-N 2.83Å; A306-V310 WeakPolarHBondContact O-CB 3.34Å; A306-V310 WeakPolarHBondContact O-CG2 3.16Å; A306-V310 PolarHBondContact O-N 2.96Å
307A96.8Very high96.8Very high3 Ų360.7 Ų60.73%0.02528%0.284CS..Hα-helixtrans-64.9-40176.300000112.1I303 G304 W305 F311 R312 W313 F318I303-A307 WeakPolarHBondContact O-CB 3.37Å; I303-A307 PolarHBondContact O-N 3Å; G304-A307 PolarHBondContact O-N 3.21Å; W305-A307 PolarHBondContact O-N 3.45Å; A307-F311 HydrophobicContact CB-CD2 4.35Å; A307-F311 WeakPolarHBondContact O-CA 3.43Å; A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.38Å; A307-R312 PolarHBondContact O-N 3.28Å; A307-W313 HydrophobicContact CB-CE3 4.08Å; A307-F318 HydrophobicContact CB-CD2 4.18Å; A307-F318 HydrophobicContact CB-CE2 4.23Å; A307-F318 HydrophobicContact CB-CG 4.38Å
308H96.7Very high96.8Very high83 Ų8360 Ų6038%0.38428%0.281SS..Hα-helixtrans-63-45.5173.5179.172.6000111.7G304 W305 R312 W313 M315G304-H308 WeakPolarHBondContact O-CB 3.43Å; G304-H308 PolarHBondContact O-N 3.44Å; W305-H308 PolarHBondContact O-N 2.93Å; H308-R312 WeakPolarHBondContact O-CA 3.12Å; H308-R312 PolarHBondContact O-N 2.97Å; H308-W313 WeakPolarHBondContact CA-O 3.34Å; H308-W313 WeakPolarHBondContact CB-O 3.28Å; H308-W313 PolarHBondContact ND1-O 3.43Å; H308-M315 HydrophobicContact CB-CB 4.36Å
309H95.6Very high96.9Very high60 Ų6059.3 Ų59.328%0.27828%0.276SS..Hα-helixtrans-65-43.7-177.9-169.976.9000112.5S12 W305 A306S12-H309 PolarHBondContact OG-CD2 3.36Å; W305-H309 HydrophobicContact CH2-CB 4.31Å; W305-H309 HydrophobicContact CZ2-CB 4.47Å; W305-H309 HydrophobicContact CZ3-CB 4.43Å; W305-H309 WeakPolarHBondContact O-CB 3.39Å; W305-H309 PolarHBondContact O-N 3.45Å; A306-H309 PolarHBondContact O-N 2.83Å
310V96Very high96.9Very high69 Ų6964.9 Ų64.942%0.41830%0.303SS..Hα-helixtrans-87.2-47.5-174.3179.10000112.4L16 A306L16-V310 HydrophobicContact CD1-CG2 4.42Å; A306-V310 WeakPolarHBondContact O-CB 3.34Å; A306-V310 WeakPolarHBondContact O-CG2 3.16Å; A306-V310 PolarHBondContact O-N 2.96Å
311F96.3Very high96.9Very high105 Ų10568.6 Ų68.646%0.46133%0.328SS..Hα-helixtrans-104.5-2.4-171.7-53.1-65.6000113.8L16 A307 W313L16-F311 HydrophobicContact CD2-CE2 3.88Å; A307-F311 HydrophobicContact CB-CD2 4.35Å; A307-F311 WeakPolarHBondContact O-CA 3.43Å; A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.38Å; F311-W313 HydrophobicContact CB-CD2 4.16Å; F311-W313 HydrophobicContact CB-CG 4Å; F311-W313 PolarHBondContact O-N 2.92Å
312R96.3Very high97Very high192 Ų19265.3 Ų65.373%0.72531%0.311SS*.  trans59.626.3-177-51.3-59.2-175.6165.9-0.8113.6A307 H308A307-R312 PolarHBondContact O-N 3.28Å; H308-R312 WeakPolarHBondContact O-CA 3.12Å; H308-R312 PolarHBondContact O-N 2.97Å
313W95.9Very high97Very high139 Ų13965 Ų6553%0.52731%0.311SS..  trans-71.4150.1174.2-68.81.3000111.1A307 H308 F311 M315 F318A307-W313 HydrophobicContact CB-CE3 4.08Å; H308-W313 WeakPolarHBondContact CA-O 3.34Å; H308-W313 WeakPolarHBondContact CB-O 3.28Å; H308-W313 PolarHBondContact ND1-O 3.43Å; F311-W313 HydrophobicContact CB-CD2 4.16Å; F311-W313 HydrophobicContact CB-CG 4Å; F311-W313 PolarHBondContact O-N 2.92Å; W313-M315 PolarHBondContact O-N 3.14Å; W313-F318 AromaticContact CE3-CD2 3.55Å; W313-F318 HydrophobicContact CE3-CD2 3.55Å; W313-F318 AromaticContact CE3-CE2 3.99Å; W313-F318 HydrophobicContact CE3-CE2 3.99Å; W313-F318 AromaticContact CZ3-CD2 3.77Å; W313-F318 HydrophobicContact CZ3-CD2 3.77Å; W313-F318 AromaticContact CZ3-CE2 3.78Å; W313-F318 HydrophobicContact CZ3-CE2 3.78Å
314D97.3Very high97Very high95 Ų9569.8 Ų69.851%0.50834%0.336SS..  trans-67.6125.8172.4-176.8-84.1000110.2M316 V317 F318D314-M316 PolarHBondContact O-N 2.95Å; D314-M316 WeakPolarHBondContact OD1-CA 3.42Å; D314-M316 PolarHBondContact OD1-N 2.79Å; D314-V317 HydrophobicContact CB-CB 4.08Å; D314-V317 HydrophobicContact CB-CG2 3.99Å; D314-V317 WeakPolarHBondContact OD1-CG2 3.45Å; D314-V317 PolarHBondContact OD1-N 2.84Å; D314-F318 WeakPolarHBondContact O-CB 3.27Å; D314-F318 PolarHBondContact O-N 3.01Å
315M95.4Very high97.1Very high58 Ų5871.7 Ų71.729%0.28635%0.351SS..Hα-helixtrans-66.5-37.3-173.1-176.5175.4175.200112.2L301 W305 H308 W313 F319L301-M315 HydrophobicContact CD2-CE 4.07Å; L301-M315 WeakPolarHBondContact O-CE 3.44Å; W305-M315 HydrophobicContact CB-CE 4.05Å; W305-M315 HydrophobicContact CB-SD 4.39Å; H308-M315 HydrophobicContact CB-CB 4.36Å; W313-M315 PolarHBondContact O-N 3.14Å; M315-F319 VanDerWaalsContact O-CB 3.25Å; M315-F319 WeakPolarHBondContact O-CB 3.35Å; M315-F319 PolarHBondContact O-N 2.89Å
316M95.8Very high97.1Very high126 Ų12668.7 Ų68.762%0.62134%0.34SS*.Hα-helixtrans-74.6-41.7-178.3-68.9-59.8-177.400111.1D314 F318 F319 M320D314-M316 PolarHBondContact O-N 2.95Å; D314-M316 WeakPolarHBondContact OD1-CA 3.42Å; D314-M316 PolarHBondContact OD1-N 2.79Å; M316-F318 VanDerWaalsContact C-N 3.35Å; M316-F319 PolarHBondContact O-N 2.71Å; M316-M320 WeakPolarHBondContact O-CE 3.18Å; M316-M320 WeakPolarHBondContact O-CG 3.21Å; M316-M320 PolarHBondContact O-N 2.79Å
317V97.3Very high97.2Very high79 Ų7971.3 Ų71.348%0.47935%0.351SS..Hα-helixtrans-59.7-48173.6177.10000110D314 F319 M320 C321D314-V317 HydrophobicContact CB-CB 4.08Å; D314-V317 HydrophobicContact CB-CG2 3.99Å; D314-V317 WeakPolarHBondContact OD1-CG2 3.45Å; D314-V317 PolarHBondContact OD1-N 2.84Å; V317-F319 PolarHBondContact O-N 3.47Å; V317-M320 PolarHBondContact O-N 3.21Å; V317-C321 WeakPolarHBondContact O-CB 3.47Å; V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 3.33Å; V317-C321 VanDerWaalsContact O-SG 3.35Å
318F97.4Very high97.3Very high27 Ų2775.3 Ų75.312%0.11837%0.371CS..Hα-helixtrans-60-47.4176.7-177-87.1000111.8F19 I303 A307 W313 D314 M316 M320 C321 H322F19-F318 HydrophobicContact CD2-CZ 4.47Å; F19-F318 HydrophobicContact CE2-CZ 4.4Å; I303-F318 HydrophobicContact CB-CE1 4.05Å; I303-F318 HydrophobicContact CB-CZ 4.49Å; I303-F318 HydrophobicContact CG2-CE1 3.52Å; I303-F318 HydrophobicContact CG2-CZ 3.49Å; I303-F318 VanDerWaalsContact CG2-CZ 3.49Å; A307-F318 HydrophobicContact CB-CD2 4.18Å; A307-F318 HydrophobicContact CB-CE2 4.23Å; A307-F318 HydrophobicContact CB-CG 4.38Å; W313-F318 AromaticContact CE3-CD2 3.55Å; W313-F318 HydrophobicContact CE3-CD2 3.55Å; W313-F318 AromaticContact CE3-CE2 3.99Å; W313-F318 HydrophobicContact CE3-CE2 3.99Å; W313-F318 AromaticContact CZ3-CD2 3.77Å; W313-F318 HydrophobicContact CZ3-CD2 3.77Å; W313-F318 AromaticContact CZ3-CE2 3.78Å; W313-F318 HydrophobicContact CZ3-CE2 3.78Å; D314-F318 WeakPolarHBondContact O-CB 3.27Å; D314-F318 PolarHBondContact O-N 3.01Å; M316-F318 VanDerWaalsContact C-N 3.35Å; F318-M320 VanDerWaalsContact C-N 3.33Å; F318-M320 PolarHBondContact O-N 3.15Å; F318-C321 PolarHBondContact O-N 2.74Å; F318-H322 HydrophobicContact CD1-CB 4.23Å; F318-H322 HydrophobicContact CE1-CB 3.9Å; F318-H322 HydrophobicContact CZ-CB 4.35Å; F318-H322 WeakPolarHBondContact O-CB 3.33Å; F318-H322 PolarHBondContact O-N 2.86Å
319F97.7Very high97.4Very high48 Ų4871.8 Ų71.821%0.21136%0.356CS..Hα-helixtrans-55.6-47.7179.1174.4-90.8000111.5F297 S300 L301 M315 M316 V317 H322 C323F297-F319 HydrophobicContact CD1-CZ 4.23Å; S300-F319 VanDerWaalsContact CB-CD2 3.42Å; L301-F319 HydrophobicContact CD2-CD2 3.84Å; L301-F319 HydrophobicContact CD2-CE2 3.94Å; L301-F319 HydrophobicContact CG-CD2 4.07Å; L301-F319 HydrophobicContact CG-CE2 3.88Å; M315-F319 VanDerWaalsContact O-CB 3.25Å; M315-F319 WeakPolarHBondContact O-CB 3.35Å; M315-F319 PolarHBondContact O-N 2.89Å; M316-F319 PolarHBondContact O-N 2.71Å; V317-F319 PolarHBondContact O-N 3.47Å; F319-H322 PolarHBondContact O-N 2.93Å; F319-C323 VanDerWaalsContact CZ-SG 3.58Å; F319-C323 WeakPolarHBondContact O-CB 3.34Å; F319-C323 PolarHBondContact O-N 3.32Å; F319-C323 PolarHBondContact O-SG 3.39Å
320M97.9Very high97.5Very high117 Ų11768.9 Ų68.958%0.57634%0.343SS*.Hα-helixtrans-64.6-46.7179.5-70.4-174.8-67.800112M316 V317 F318 H322 C323 L324M316-M320 WeakPolarHBondContact O-CE 3.18Å; M316-M320 WeakPolarHBondContact O-CG 3.21Å; M316-M320 PolarHBondContact O-N 2.79Å; V317-M320 PolarHBondContact O-N 3.21Å; F318-M320 VanDerWaalsContact C-N 3.33Å; F318-M320 PolarHBondContact O-N 3.15Å; M320-H322 PolarHBondContact O-N 3.44Å; M320-C323 PolarHBondContact O-N 3.03Å; M320-L324 WeakPolarHBondContact O-CB 3.46Å; M320-L324 PolarHBondContact O-N 2.83Å
321C98.3Very high97.6Very high77 Ų7768.8 Ų68.852%0.5234%0.336SS..Hα-helixtrans-63.1-41.7178-70.40000111.9V317 F318 L324 A325V317-C321 WeakPolarHBondContact O-CB 3.47Å; V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 3.33Å; V317-C321 VanDerWaalsContact O-SG 3.35Å; F318-C321 PolarHBondContact O-N 2.74Å; C321-L324 PolarHBondContact O-N 3.24Å; C321-A325 WeakPolarHBondContact O-CB 3.26Å; C321-A325 PolarHBondContact O-N 2.94Å
322H98.3Very high97.7Very high9 Ų967.1 Ų67.14%0.04233%0.331CS..Hα-helixtrans-67-45.2178.6-172.9-104.7000111.5F19 W23 S300 F318 F319 M320 L324 A325 W326F19-H322 AromaticContact CD2-NE2 3.75Å; F19-H322 AromaticContact CE2-CD2 3.81Å; F19-H322 AromaticContact CE2-NE2 3.9Å; W23-H322 AromaticContact CE2-NE2 3.72Å; W23-H322 AromaticContact CZ2-CD2 3.94Å; W23-H322 AromaticContact CZ2-NE2 3.91Å; W23-H322 AromaticContact NE1-CD2 3.51Å; W23-H322 AromaticContact NE1-NE2 2.97Å; W23-H322 PolarHBondContact NE1-NE2 3.16Å; S300-H322 PolarHBondContact OG-ND1 2.84Å; F318-H322 HydrophobicContact CD1-CB 4.23Å; F318-H322 HydrophobicContact CE1-CB 3.9Å; F318-H322 HydrophobicContact CZ-CB 4.35Å; F318-H322 WeakPolarHBondContact O-CB 3.33Å; F318-H322 PolarHBondContact O-N 2.86Å; F319-H322 PolarHBondContact O-N 2.93Å; M320-H322 PolarHBondContact O-N 3.44Å; H322-L324 VanDerWaalsContact C-N 3.32Å; H322-L324 PolarHBondContact O-N 3.3Å; H322-A325 PolarHBondContact O-N 3.22Å; H322-W326 AromaticContact CE1-CE3 3.58Å; H322-W326 AromaticContact CE1-CZ3 3.85Å; H322-W326 WeakPolarHBondContact O-CB 3.18Å; H322-W326 PolarHBondContact O-N 2.71Å
323C98.3Very high97.8Very high15 Ų1558 Ų5810%0.10130%0.296CS..Hα-helixtrans-60.2-41.5174.4-70.70000111.9S300 F319 M320 W326 F327S300-C323 PolarHBondContact OG-SG 3.09Å; F319-C323 VanDerWaalsContact CZ-SG 3.58Å; F319-C323 WeakPolarHBondContact O-CB 3.34Å; F319-C323 PolarHBondContact O-N 3.32Å; F319-C323 PolarHBondContact O-SG 3.39Å; M320-C323 PolarHBondContact O-N 3.03Å; C323-W326 PolarHBondContact O-N 3.22Å; C323-F327 VanDerWaalsContact O-CB 3.26Å; C323-F327 WeakPolarHBondContact O-CB 3.49Å; C323-F327 PolarHBondContact O-N 2.81Å
324L98.4Very high97.9Very high102 Ų10251.4 Ų51.453%0.53427%0.271SS..Hα-helixtrans-64.6-45.5176.9178.461.8000111.7M320 C321 H322 W326 F327 I328M320-L324 WeakPolarHBondContact O-CB 3.46Å; M320-L324 PolarHBondContact O-N 2.83Å; C321-L324 PolarHBondContact O-N 3.24Å; H322-L324 VanDerWaalsContact C-N 3.32Å; H322-L324 PolarHBondContact O-N 3.3Å; L324-W326 VanDerWaalsContact C-N 3.31Å; L324-W326 PolarHBondContact O-N 3.46Å; L324-F327 WeakPolarHBondContact O-CB 3.36Å; L324-F327 PolarHBondContact O-N 3.49Å; L324-I328 HydrophobicContact CD1-CD1 4.13Å; L324-I328 HydrophobicContact CD1-CG1 4.43Å; L324-I328 HydrophobicContact CG-CD1 4.08Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 2.9Å
325A98.6Very high97.9Very high39 Ų3948.7 Ų48.732%0.32226%0.258SS..Hα-helixtrans-61.1-42.917700000111.1W23 C321 H322 I328 A329W23-A325 HydrophobicContact CH2-CB 3.61Å; W23-A325 HydrophobicContact CZ2-CB 3.89Å; C321-A325 WeakPolarHBondContact O-CB 3.26Å; C321-A325 PolarHBondContact O-N 2.94Å; H322-A325 PolarHBondContact O-N 3.22Å; A325-I328 PolarHBondContact O-N 3.46Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 2.59Å
326W98.6Very high97.9Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-64.2-44.3176.9-165.9-61.6000112.1L22 H26 R196 S294 C296 A299 H322 C323 L324 I328 A329 D330 W353L22-W326 HydrophobicContact CB-CH2 4.17Å; L22-W326 HydrophobicContact CB-CZ3 4.13Å; L22-W326 HydrophobicContact CD1-CH2 3.88Å; L22-W326 HydrophobicContact CD1-CZ3 3.98Å; L22-W326 HydrophobicContact CD2-CH2 4.35Å; L22-W326 HydrophobicContact CG-CH2 4.36Å; H26-W326 AromaticContact CE1-CD1 3.98Å; H26-W326 AromaticContact CE1-CE2 3.97Å; H26-W326 AromaticContact CE1-NE1 3.8Å; H26-W326 AromaticContact NE2-CD1 3.85Å; H26-W326 AromaticContact NE2-CD2 3.37Å; H26-W326 AromaticContact NE2-CE2 3.24Å; H26-W326 AromaticContact NE2-CE3 3.82Å; H26-W326 AromaticContact NE2-CG 3.81Å; H26-W326 AromaticContact NE2-CZ2 3.64Å; H26-W326 AromaticContact NE2-NE1 3.54Å; R196-W326 VanDerWaalsContact CZ-CZ2 3.47Å; R196-W326 VanDerWaalsContact NH1-NE1 3.19Å; S294-W326 WeakPolarHBondContact O-CH2 3.41Å; S294-W326 WeakPolarHBondContact O-CZ2 3.48Å; C296-W326 HydrophobicContact CB-CD2 3.81Å; C296-W326 HydrophobicContact CB-CE3 4.49Å; C296-W326 HydrophobicContact CB-CG 3.88Å; C296-W326 HydrophobicContact CB-CZ2 4.25Å; C296-W326 VanDerWaalsContact SG-CB 3.59Å; A299-W326 HydrophobicContact CB-CH2 4.39Å; A299-W326 HydrophobicContact CB-CZ3 4.29Å; H322-W326 AromaticContact CE1-CE3 3.58Å; H322-W326 AromaticContact CE1-CZ3 3.85Å; H322-W326 WeakPolarHBondContact O-CB 3.18Å; H322-W326 PolarHBondContact O-N 2.71Å; C323-W326 PolarHBondContact O-N 3.22Å; L324-W326 VanDerWaalsContact C-N 3.31Å; L324-W326 PolarHBondContact O-N 3.46Å; W326-I328 VanDerWaalsContact C-N 3.32Å; W326-I328 PolarHBondContact O-N 2.76Å; W326-A329 PolarHBondContact O-N 3.44Å; W326-D330 VanDerWaalsContact CD1-OD2 3.23Å; W326-D330 PolarHBondContact NE1-OD2 3.45Å; W326-D330 VanDerWaalsContact NE1-OD2 3.17Å; W326-D330 WeakPolarHBondContact O-CB 3.35Å; W326-D330 PolarHBondContact O-N 3.45Å; W326-W353 AromaticContact CD1-CZ2 3.78Å; W326-W353 HydrophobicContact CG-CZ2 4.45Å
327F98.6Very high98Very high54 Ų5440.3 Ų40.324%0.23722%0.219CC..Hα-helixtrans-56.7-45175.6175.8-98.9000111.9C323 L324 D330 Y331 F349 A350 W353C323-F327 VanDerWaalsContact O-CB 3.26Å; C323-F327 WeakPolarHBondContact O-CB 3.49Å; C323-F327 PolarHBondContact O-N 2.81Å; L324-F327 WeakPolarHBondContact O-CB 3.36Å; L324-F327 PolarHBondContact O-N 3.49Å; F327-D330 PolarHBondContact O-N 3.22Å; F327-Y331 PolarHBondContact O-N 2.91Å; F327-F349 AromaticContact CD2-CE1 3.86Å; F327-F349 HydrophobicContact CD2-CE1 3.86Å; F327-F349 HydrophobicContact CE1-CD1 4.41Å; F327-F349 HydrophobicContact CE1-CE1 4.06Å; F327-F349 AromaticContact CE2-CD1 3.6Å; F327-F349 HydrophobicContact CE2-CD1 3.6Å; F327-F349 AromaticContact CE2-CE1 3.21Å; F327-F349 HydrophobicContact CE2-CE1 3.21Å; F327-F349 HydrophobicContact CE2-CZ 4.16Å; F327-F349 AromaticContact CZ-CD1 3.48Å; F327-F349 HydrophobicContact CZ-CD1 3.48Å; F327-F349 VanDerWaalsContact CZ-CD1 3.48Å; F327-F349 AromaticContact CZ-CE1 3.35Å; F327-F349 HydrophobicContact CZ-CE1 3.35Å; F327-A350 HydrophobicContact CE2-CB 4.2Å; F327-A350 HydrophobicContact CZ-CB 4Å; F327-W353 HydrophobicContact CB-CH2 4.35Å; F327-W353 HydrophobicContact CB-CZ2 4.26Å; F327-W353 HydrophobicContact CD2-CB 4.38Å; F327-W353 AromaticContact CD2-CD2 3.64Å; F327-W353 HydrophobicContact CD2-CD2 3.64Å; F327-W353 AromaticContact CD2-CE3 3.74Å; F327-W353 HydrophobicContact CD2-CE3 3.74Å; F327-W353 AromaticContact CD2-CG 3.91Å; F327-W353 HydrophobicContact CD2-CG 3.91Å; F327-W353 HydrophobicContact CD2-CZ3 4.27Å; F327-W353 HydrophobicContact CE2-CB 4.19Å; F327-W353 HydrophobicContact CE2-CD2 4.3Å; F327-W353 HydrophobicContact CE2-CE3 4.39Å; F327-W353 HydrophobicContact CE2-CG 4.21Å
328I98.4Very high98Very high87 Ų8737.8 Ų37.845%0.44620%0.202SC..Hα-helixtrans-64.8-45.2176.7-66.6165.2000110.5L324 A325 W326 D330 Y331 I332L324-I328 HydrophobicContact CD1-CD1 4.13Å; L324-I328 HydrophobicContact CD1-CG1 4.43Å; L324-I328 HydrophobicContact CG-CD1 4.08Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.26Å; L324-I328 PolarHBondContact O-N 2.9Å; A325-I328 PolarHBondContact O-N 3.46Å; W326-I328 VanDerWaalsContact C-N 3.32Å; W326-I328 PolarHBondContact O-N 2.76Å; I328-D330 PolarHBondContact O-N 3.43Å; I328-Y331 PolarHBondContact O-N 2.89Å; I328-I332 HydrophobicContact CG2-CD1 3.89Å; I328-I332 VanDerWaalsContact O-CG1 3.32Å; I328-I332 WeakPolarHBondContact O-CG1 3.16Å; I328-I332 PolarHBondContact O-N 3.3Å
329A98.5Very high97.7Very high9 Ų938.9 Ų38.97%0.07422%0.221CC..Hα-helixtrans-60.9-44178.100000112W23 I30 A325 W326 Y331 I332 Q333W23-A329 HydrophobicContact CZ3-CB 4.2Å; I30-A329 HydrophobicContact CD1-CB 4.24Å; A325-A329 WeakPolarHBondContact O-CB 3.42Å; A325-A329 PolarHBondContact O-N 2.59Å; W326-A329 PolarHBondContact O-N 3.44Å; A329-Y331 VanDerWaalsContact C-N 3.35Å; A329-Y331 PolarHBondContact O-N 2.85Å; A329-I332 PolarHBondContact O-N 3.45Å; A329-Q333 WeakPolarHBondContact O-CB 3.24Å; A329-Q333 PolarHBondContact O-N 2.95Å
330D98.3Very high97.3Very high0 Ų038.8 Ų38.80%023%0.234CC..Hα-helixtrans-64-38.1175.9-87.5-12.3000111.6H26 T192 R196 W326 F327 I328 Q333 L334 W353 R356H26-D330 IonicContact CE1-OD1 2.68Å; H26-D330 PolarHBondContact CE1-OD1 3.18Å; H26-D330 VanDerWaalsContact CE1-OD1 3.31Å; T192-D330 HydrophobicContact CG2-CB 3.7Å; T192-D330 WeakPolarHBondContact CG2-O 3.4Å; R196-D330 IonicContact NH1-OD1 2.93Å; R196-D330 PolarHBondContact NH1-OD1 3.28Å; R196-D330 IonicContact NH1-OD2 3.26Å; R196-D330 PolarHBondContact NH1-OD2 2.87Å; W326-D330 VanDerWaalsContact CD1-OD2 3.23Å; W326-D330 PolarHBondContact NE1-OD2 3.45Å; W326-D330 VanDerWaalsContact NE1-OD2 3.17Å; W326-D330 WeakPolarHBondContact O-CB 3.35Å; W326-D330 PolarHBondContact O-N 3.45Å; F327-D330 PolarHBondContact O-N 3.22Å; I328-D330 PolarHBondContact O-N 3.43Å; D330-Q333 PolarHBondContact O-N 2.94Å; D330-L334 VanDerWaalsContact O-CB 3.31Å; D330-L334 WeakPolarHBondContact O-CB 3.21Å; D330-L334 PolarHBondContact O-N 3.48Å; D330-W353 PolarHBondContact OD2-NE1 2.77Å; D330-R356 IonicContact OD2-NH2 2.78Å; D330-R356 PolarHBondContact OD2-NH2 3.43Å
331Y98.2Very high97.1Very high67 Ų6737.5 Ų37.526%0.26324%0.242SC..Hα-helixtrans-64.7-41.2173.8-170.6-108000112.4F327 I328 A329 T335 L342 F349F327-Y331 PolarHBondContact O-N 2.91Å; I328-Y331 PolarHBondContact O-N 2.89Å; A329-Y331 VanDerWaalsContact C-N 3.35Å; A329-Y331 PolarHBondContact O-N 2.85Å; Y331-T335 HydrophobicContact CD1-CG2 4.41Å; Y331-T335 HydrophobicContact CE1-CG2 4.08Å; Y331-T335 HydrophobicContact CE2-CG2 4.4Å; Y331-T335 WeakPolarHBondContact O-CG2 2.82Å; Y331-T335 PolarHBondContact O-N 2.8Å; Y331-T335 PolarHBondContact O-OG1 3.13Å; Y331-L342 HydrophobicContact CE2-CD1 3.98Å; Y331-F349 AromaticContact CD2-CD1 3.5Å; Y331-F349 HydrophobicContact CD2-CD1 3.5Å; Y331-F349 VanDerWaalsContact CD2-CD1 3.5Å; Y331-F349 HydrophobicContact CD2-CD2 4.1Å; Y331-F349 AromaticContact CD2-CE1 3.5Å; Y331-F349 HydrophobicContact CD2-CE1 3.5Å; Y331-F349 VanDerWaalsContact CD2-CE1 3.5Å; Y331-F349 HydrophobicContact CD2-CE2 4.12Å; Y331-F349 AromaticContact CD2-CG 3.81Å; Y331-F349 HydrophobicContact CD2-CG 3.81Å; Y331-F349 AromaticContact CD2-CZ 3.83Å; Y331-F349 HydrophobicContact CD2-CZ 3.83Å; Y331-F349 HydrophobicContact CE2-CD1 4.13Å; Y331-F349 HydrophobicContact CE2-CG 4.2Å; Y331-F349 HydrophobicContact CG-CD1 4.36Å; Y331-F349 AromaticContact CG-CE1 3.99Å; Y331-F349 HydrophobicContact CG-CE1 3.99Å; Y331-F349 HydrophobicContact CG-CZ 4.3Å
332I98Very high96.9Very high69 Ų6935.6 Ų35.635%0.35423%0.226SC..Hα-helixtrans-64.2-41.8175.1-67165.9000110.7I30 R34 I328 A329 T335 G336I30-I332 HydrophobicContact CD1-CG2 4.37Å; I30-I332 HydrophobicContact CG2-CG2 3.87Å; R34-I332 VanDerWaalsContact CZ-O 3.31Å; R34-I332 PolarHBondContact NH1-O 2.92Å; R34-I332 PolarHBondContact NH2-O 3.33Å; I328-I332 HydrophobicContact CG2-CD1 3.89Å; I328-I332 VanDerWaalsContact O-CG1 3.32Å; I328-I332 WeakPolarHBondContact O-CG1 3.16Å; I328-I332 PolarHBondContact O-N 3.3Å; A329-I332 PolarHBondContact O-N 3.45Å; I332-T335 PolarHBondContact O-OG1 3.35Å; I332-G336 PolarHBondContact O-N 3.42Å
333Q98.1Very high96.6Very high1 Ų137.7 Ų37.71%0.00524%0.242CC..Hα-helixtrans-60.6-54.3176.1177.664.618.700110.7S29 I30 V33 G191 P195 A329 D330 T335 G336 V337S29-Q333 PolarHBondContact OG-NE2 3.38Å; S29-Q333 PolarHBondContact OG-OE1 3.06Å; S29-Q333 VanDerWaalsContact OG-OE1 3.12Å; I30-Q333 VanDerWaalsContact CA-OE1 3.23Å; I30-Q333 HydrophobicContact CG1-CB 4.06Å; I30-Q333 VanDerWaalsContact CG1-OE1 3.26Å; V33-Q333 VanDerWaalsContact CG2-NE2 3.34Å; G191-Q333 WeakPolarHBondContact O-CG 3.39Å; P195-Q333 VanDerWaalsContact CB-NE2 3.26Å; A329-Q333 WeakPolarHBondContact O-CB 3.24Å; A329-Q333 PolarHBondContact O-N 2.95Å; D330-Q333 PolarHBondContact O-N 2.94Å; Q333-T335 PolarHBondContact O-N 3.28Å; Q333-G336 WeakPolarHBondContact O-CA 3.44Å; Q333-G336 PolarHBondContact O-N 2.89Å; Q333-V337 WeakPolarHBondContact O-CG2 3.49Å; Q333-V337 PolarHBondContact O-N 3.5Å
334L98.1Very high96.5Very high0 Ų038.1 Ų38.10%024%0.242CC..Hα-helixtrans-55.2-49.3-179.3168.666.5000112.2Y174 V188 G191 T192 D330 G336 V337 Q338 L342 F344 F349Y174-L334 HydrophobicContact CE2-CD1 4.48Å; V188-L334 HydrophobicContact CG2-CD2 4.46Å; G191-L334 WeakPolarHBondContact O-CA 3.1Å; G191-L334 PolarHBondContact O-N 3.47Å; T192-L334 HydrophobicContact CG2-CB 4.05Å; D330-L334 VanDerWaalsContact O-CB 3.31Å; D330-L334 WeakPolarHBondContact O-CB 3.21Å; D330-L334 PolarHBondContact O-N 3.48Å; L334-G336 PolarHBondContact O-N 3.16Å; L334-V337 PolarHBondContact O-N 3.49Å; L334-Q338 WeakPolarHBondContact O-CB 3.28Å; L334-Q338 PolarHBondContact O-N 3.01Å; L334-L342 HydrophobicContact CD1-CD2 4.18Å; L334-L342 HydrophobicContact CD2-CD1 4.02Å; L334-L342 HydrophobicContact CD2-CD2 4.21Å; L334-L342 HydrophobicContact CG-CD1 4.39Å; L334-L342 HydrophobicContact CG-CD2 3.98Å; L334-F344 HydrophobicContact CD2-CE2 4.15Å; L334-F344 HydrophobicContact CD2-CZ 3.83Å; L334-F349 HydrophobicContact CD2-CD2 3.44Å; L334-F349 VanDerWaalsContact CD2-CD2 3.44Å; L334-F349 HydrophobicContact CD2-CE2 3.46Å; L334-F349 VanDerWaalsContact CD2-CE2 3.46Å
335T97.3Very high96.4Very high39 Ų3935.9 Ų35.924%0.23923%0.234CC..Hα-helixtrans-61.8-30.9179.150.10000112.6R34 Y331 I332 Q333 G339 L342R34-T335 PolarHBondContact NH2-OG1 3.5Å; Y331-T335 HydrophobicContact CD1-CG2 4.41Å; Y331-T335 HydrophobicContact CE1-CG2 4.08Å; Y331-T335 HydrophobicContact CE2-CG2 4.4Å; Y331-T335 WeakPolarHBondContact O-CG2 2.82Å; Y331-T335 PolarHBondContact O-N 2.8Å; Y331-T335 PolarHBondContact O-OG1 3.13Å; I332-T335 PolarHBondContact O-OG1 3.35Å; Q333-T335 PolarHBondContact O-N 3.28Å; T335-G339 PolarHBondContact O-N 3.33Å; T335-G339 VanDerWaalsContact O-N 3.16Å; T335-L342 HydrophobicContact CG2-CD1 4.05Å
336G96.8Very high96.2Very high8 Ų841.3 Ų41.38%0.08225%0.251CS..Hα-helixtrans-70.9-45.9172.800000113.8H38 I332 Q333 L334 Q338 G339H38-G336 PolarHBondContact CD2-O 3.33Å; H38-G336 PolarHBondContact NE2-O 3.37Å; I332-G336 PolarHBondContact O-N 3.42Å; Q333-G336 WeakPolarHBondContact O-CA 3.44Å; Q333-G336 PolarHBondContact O-N 2.89Å; L334-G336 PolarHBondContact O-N 3.16Å; G336-Q338 VanDerWaalsContact C-N 3.29Å; G336-Q338 PolarHBondContact O-N 2.87Å; G336-G339 PolarHBondContact O-N 3.44Å
337V97.4Very high96.2Very high0 Ų047.3 Ų47.30%028%0.282CS..Hα-helixtrans-64.1-38.9178.9177.10000110.2V33 L37 H38 L172 Y174 P195 V257 Q333 L334 G339V33-V337 HydrophobicContact CG1-CG2 4.29Å; V33-V337 HydrophobicContact CG2-CG2 3.86Å; L37-V337 HydrophobicContact CD1-CG2 4.39Å; H38-V337 PolarHBondContact CE1-O 2.97Å; H38-V337 VanDerWaalsContact CE1-O 3.28Å; H38-V337 PolarHBondContact NE2-O 3.42Å; L172-V337 HydrophobicContact CD2-CG1 4.04Å; L172-V337 HydrophobicContact CD2-CG2 4.25Å; Y174-V337 HydrophobicContact CD1-CG1 4.36Å; Y174-V337 HydrophobicContact CD2-CG1 3.46Å; Y174-V337 VanDerWaalsContact CD2-CG1 3.46Å; Y174-V337 HydrophobicContact CE1-CG1 4.5Å; Y174-V337 HydrophobicContact CE2-CB 4.44Å; Y174-V337 HydrophobicContact CE2-CG1 3.66Å; Y174-V337 HydrophobicContact CG-CG1 3.85Å; P195-V337 HydrophobicContact CB-CG2 4.12Å; P195-V337 HydrophobicContact CG-CG2 4.06Å; V257-V337 HydrophobicContact CG1-CG1 4.32Å; Q333-V337 WeakPolarHBondContact O-CG2 3.49Å; Q333-V337 PolarHBondContact O-N 3.5Å; L334-V337 PolarHBondContact O-N 3.49Å; V337-G339 PolarHBondContact O-N 3.09Å
338Q96.3Very high96.1Very high26 Ų2647.5 Ų47.512%0.12129%0.286CS..Hα-helixtrans-60-43.9172.4-177.169.35.900112Y174 D177 L334 G336 G340 A341 L342Y174-Q338 PolarHBondContact OH-OE1 2.9Å; D177-Q338 PolarHBondContact OD1-NE2 3.09Å; D177-Q338 PolarHBondContact OD2-NE2 3.37Å; L334-Q338 WeakPolarHBondContact O-CB 3.28Å; L334-Q338 PolarHBondContact O-N 3.01Å; G336-Q338 VanDerWaalsContact C-N 3.29Å; G336-Q338 PolarHBondContact O-N 2.87Å; Q338-G340 WeakPolarHBondContact CG-O 3.48Å; Q338-G340 PolarHBondContact O-N 3.27Å; Q338-A341 PolarHBondContact NE2-O 3.47Å; Q338-L342 HydrophobicContact CB-CD2 3.93Å; Q338-L342 HydrophobicContact CG-CD2 3.82Å
339G91.6Very high96.1Very high49 Ų4943.5 Ų43.551%0.50527%0.265SS..  trans68.516.9-177.200000114.2H38 T335 G336 V337H38-G339 WeakPolarHBondContact NE2-CA 3.37Å; H38-G339 PolarHBondContact NE2-N 3.05Å; T335-G339 PolarHBondContact O-N 3.33Å; T335-G339 VanDerWaalsContact O-N 3.16Å; G336-G339 PolarHBondContact O-N 3.44Å; V337-G339 PolarHBondContact O-N 3.09Å
340G90.2Very high96.1Very high47 Ų4744.7 Ų44.749%0.48528%0.275SS..SBendtrans-171.6-166.2-175.100000112.3Q338Q338-G340 WeakPolarHBondContact CG-O 3.48Å; Q338-G340 PolarHBondContact O-N 3.27Å
341A91.9Very high96.1Very high90 Ų9047.8 Ų47.874%0.74429%0.294SS*.  trans-66142.6175.400000110.9Q338Q338-A341 PolarHBondContact NE2-O 3.47Å
342L94.8Very high96Very high36 Ų3644.6 Ų44.619%0.18828%0.282CS..  trans-80.8145.4172.1-65.4169.2000109.6Y331 L334 T335 Q338 F344Y331-L342 HydrophobicContact CE2-CD1 3.98Å; L334-L342 HydrophobicContact CD1-CD2 4.18Å; L334-L342 HydrophobicContact CD2-CD1 4.02Å; L334-L342 HydrophobicContact CD2-CD2 4.21Å; L334-L342 HydrophobicContact CG-CD1 4.39Å; L334-L342 HydrophobicContact CG-CD2 3.98Å; T335-L342 HydrophobicContact CG2-CD1 4.05Å; Q338-L342 HydrophobicContact CB-CD2 3.93Å; Q338-L342 HydrophobicContact CG-CD2 3.82Å; L342-F344 HydrophobicContact CB-CD2 4.49Å; L342-F344 HydrophobicContact CB-CE2 4.35Å; L342-F344 HydrophobicContact CB-CZ 4.4Å; L342-F344 HydrophobicContact CD1-CE2 3.96Å; L342-F344 HydrophobicContact CD1-CZ 4.21Å; L342-F344 HydrophobicContact CD2-CE1 4.27Å; L342-F344 HydrophobicContact CD2-CE2 4.47Å; L342-F344 HydrophobicContact CD2-CZ 3.92Å; L342-F344 HydrophobicContact CG-CE2 4.5Å; L342-F344 HydrophobicContact CG-CZ 4.41Å; L342-F344 PolarHBondContact O-N 3.45Å
343S92.4Very high96.1Very high53 Ų5342 Ų4237%0.37127%0.267SS..SBendtrans-79.92.1178.259.30000114.1
344F95.7Very high96Very high25 Ų2547.4 Ų47.411%0.1129%0.291CS..SBendtrans-135.9160.8-17553.7-102.3000112.2T184 Q187 V188 L334 L342 D348 F349T184-F344 HydrophobicContact CG2-CB 4.11Å; T184-F344 HydrophobicContact CG2-CD1 3.73Å; T184-F344 HydrophobicContact CG2-CD2 3.86Å; T184-F344 HydrophobicContact CG2-CE1 4Å; T184-F344 HydrophobicContact CG2-CE2 4.15Å; T184-F344 HydrophobicContact CG2-CG 3.63Å; T184-F344 HydrophobicContact CG2-CZ 4.19Å; Q187-F344 HydrophobicContact CB-CE1 4.1Å; Q187-F344 HydrophobicContact CG-CE1 3.97Å; V188-F344 HydrophobicContact CG2-CE2 4.49Å; V188-F344 HydrophobicContact CG2-CZ 4.19Å; L334-F344 HydrophobicContact CD2-CE2 4.15Å; L334-F344 HydrophobicContact CD2-CZ 3.83Å; L342-F344 HydrophobicContact CB-CD2 4.49Å; L342-F344 HydrophobicContact CB-CE2 4.35Å; L342-F344 HydrophobicContact CB-CZ 4.4Å; L342-F344 HydrophobicContact CD1-CE2 3.96Å; L342-F344 HydrophobicContact CD1-CZ 4.21Å; L342-F344 HydrophobicContact CD2-CE1 4.27Å; L342-F344 HydrophobicContact CD2-CE2 4.47Å; L342-F344 HydrophobicContact CD2-CZ 3.92Å; L342-F344 HydrophobicContact CG-CE2 4.5Å; L342-F344 HydrophobicContact CG-CZ 4.41Å; L342-F344 PolarHBondContact O-N 3.45Å; F344-D348 HydrophobicContact CB-CB 3.97Å; F344-D348 HydrophobicContact CD2-CB 4.39Å; F344-F349 HydrophobicContact CD2-CB 4.25Å; F344-F349 HydrophobicContact CE2-CB 3.88Å; F344-F349 HydrophobicContact CE2-CD2 4.26Å
345S95.9Very high96Very high54 Ų5449.9 Ų49.938%0.37830%0.304SS..  trans-76.4164.6-177.675.20000112.5L347 D348 F349S345-L347 PolarHBondContact O-N 2.91Å; S345-L347 PolarHBondContact OG-N 2.88Å; S345-D348 VanDerWaalsContact CB-OD2 3.32Å; S345-D348 WeakPolarHBondContact CB-OD2 3.49Å; S345-D348 PolarHBondContact N-OD2 2.93Å; S345-D348 PolarHBondContact O-N 3.1Å; S345-D348 PolarHBondContact OG-N 3.16Å; S345-D348 VanDerWaalsContact OG-N 3.09Å; S345-D348 PolarHBondContact OG-OD2 3.45Å; S345-F349 PolarHBondContact O-N 2.98Å
346K96.1Very high95.9Very high153 Ų15348.4 Ų48.467%0.66529%0.294SS*.Hα-helixtrans-62.5-27.9172.2-66.4180-1781750112.7F349 A350K346-F349 WeakPolarHBondContact O-CB 3.37Å; K346-A350 PolarHBondContact O-N 3.03Å
347L96.9Very high95.8Very high126 Ų12648.1 Ų48.166%0.6629%0.29SS*.Hα-helixtrans-70.8-44.2175.1-176.367000110.5S345 F349 A350 V351S345-L347 PolarHBondContact O-N 2.91Å; S345-L347 PolarHBondContact OG-N 2.88Å; L347-F349 VanDerWaalsContact C-N 3.27Å; L347-F349 PolarHBondContact O-N 3.45Å; L347-A350 WeakPolarHBondContact O-CB 3.46Å; L347-A350 PolarHBondContact O-N 2.9Å; L347-A350 VanDerWaalsContact O-N 3.09Å; L347-V351 WeakPolarHBondContact O-CG2 3.38Å; L347-V351 PolarHBondContact O-N 3.23Å
348D97.2Very high95.7Very high59 Ų5950.7 Ų50.732%0.31631%0.308SS..Hα-helixtrans-60-41.5175.2-58.4-48.4000110.9T184 F344 S345 V351 A352T184-D348 HydrophobicContact CG2-CB 4.11Å; F344-D348 HydrophobicContact CB-CB 3.97Å; F344-D348 HydrophobicContact CD2-CB 4.39Å; S345-D348 VanDerWaalsContact CB-OD2 3.32Å; S345-D348 WeakPolarHBondContact CB-OD2 3.49Å; S345-D348 PolarHBondContact N-OD2 2.93Å; S345-D348 PolarHBondContact O-N 3.1Å; S345-D348 PolarHBondContact OG-N 3.16Å; S345-D348 VanDerWaalsContact OG-N 3.09Å; S345-D348 PolarHBondContact OG-OD2 3.45Å; D348-V351 PolarHBondContact O-N 2.81Å; D348-A352 WeakPolarHBondContact O-CB 3.48Å; D348-A352 PolarHBondContact O-N 2.59Å
349F98.1Very high95.5Very high2 Ų250.1 Ų50.11%0.00931%0.306CS..Hα-helixtrans-57-49.9172175.1-106.6000111.6V188 T192 F327 Y331 L334 F344 S345 K346 L347 V351 A352 W353V188-F349 HydrophobicContact CG1-CE2 4.25Å; V188-F349 HydrophobicContact CG2-CD2 3.73Å; V188-F349 HydrophobicContact CG2-CE2 4.17Å; T192-F349 HydrophobicContact CG2-CE2 4.32Å; F327-F349 AromaticContact CD2-CE1 3.86Å; F327-F349 HydrophobicContact CD2-CE1 3.86Å; F327-F349 HydrophobicContact CE1-CD1 4.41Å; F327-F349 HydrophobicContact CE1-CE1 4.06Å; F327-F349 AromaticContact CE2-CD1 3.6Å; F327-F349 HydrophobicContact CE2-CD1 3.6Å; F327-F349 AromaticContact CE2-CE1 3.21Å; F327-F349 HydrophobicContact CE2-CE1 3.21Å; F327-F349 HydrophobicContact CE2-CZ 4.16Å; F327-F349 AromaticContact CZ-CD1 3.48Å; F327-F349 HydrophobicContact CZ-CD1 3.48Å; F327-F349 VanDerWaalsContact CZ-CD1 3.48Å; F327-F349 AromaticContact CZ-CE1 3.35Å; F327-F349 HydrophobicContact CZ-CE1 3.35Å; Y331-F349 AromaticContact CD2-CD1 3.5Å; Y331-F349 HydrophobicContact CD2-CD1 3.5Å; Y331-F349 VanDerWaalsContact CD2-CD1 3.5Å; Y331-F349 HydrophobicContact CD2-CD2 4.1Å; Y331-F349 AromaticContact CD2-CE1 3.5Å; Y331-F349 HydrophobicContact CD2-CE1 3.5Å; Y331-F349 VanDerWaalsContact CD2-CE1 3.5Å; Y331-F349 HydrophobicContact CD2-CE2 4.12Å; Y331-F349 AromaticContact CD2-CG 3.81Å; Y331-F349 HydrophobicContact CD2-CG 3.81Å; Y331-F349 AromaticContact CD2-CZ 3.83Å; Y331-F349 HydrophobicContact CD2-CZ 3.83Å; Y331-F349 HydrophobicContact CE2-CD1 4.13Å; Y331-F349 HydrophobicContact CE2-CG 4.2Å; Y331-F349 HydrophobicContact CG-CD1 4.36Å; Y331-F349 AromaticContact CG-CE1 3.99Å; Y331-F349 HydrophobicContact CG-CE1 3.99Å; Y331-F349 HydrophobicContact CG-CZ 4.3Å; L334-F349 HydrophobicContact CD2-CD2 3.44Å; L334-F349 VanDerWaalsContact CD2-CD2 3.44Å; L334-F349 HydrophobicContact CD2-CE2 3.46Å; L334-F349 VanDerWaalsContact CD2-CE2 3.46Å; F344-F349 HydrophobicContact CD2-CB 4.25Å; F344-F349 HydrophobicContact CE2-CB 3.88Å; F344-F349 HydrophobicContact CE2-CD2 4.26Å; S345-F349 PolarHBondContact O-N 2.98Å; K346-F349 WeakPolarHBondContact O-CB 3.37Å; L347-F349 VanDerWaalsContact C-N 3.27Å; L347-F349 PolarHBondContact O-N 3.45Å; F349-V351 PolarHBondContact O-N 2.7Å; F349-A352 PolarHBondContact O-N 3.14Å; F349-W353 HydrophobicContact CE2-CB 4.44Å; F349-W353 HydrophobicContact CZ-CB 4.32Å; F349-W353 AromaticContact CZ-CD1 4Å; F349-W353 HydrophobicContact CZ-CG 4.36Å; F349-W353 WeakPolarHBondContact O-CB 3.39Å; F349-W353 PolarHBondContact O-N 2.86Å
350A98.1Very high95.4Very high35 Ų3548.8 Ų48.829%0.28929%0.289SS..Hα-helixtrans-58.9-46.8-178.400000112.2F327 K346 L347 F354F327-A350 HydrophobicContact CE2-CB 4.2Å; F327-A350 HydrophobicContact CZ-CB 4Å; K346-A350 PolarHBondContact O-N 3.03Å; L347-A350 WeakPolarHBondContact O-CB 3.46Å; L347-A350 PolarHBondContact O-N 2.9Å; L347-A350 VanDerWaalsContact O-N 3.09Å; A350-F354 WeakPolarHBondContact O-CB 3.38Å; A350-F354 PolarHBondContact O-N 2.91Å
351V98.3Very high95.5Very high65 Ų6549.5 Ų49.539%0.39428%0.283SS..Hα-helixtrans-67.2-46178.9179.10000111F181 L347 D348 F349 W353 F354 I355F181-V351 HydrophobicContact CE2-CB 4.19Å; F181-V351 HydrophobicContact CE2-CG1 3.97Å; F181-V351 HydrophobicContact CZ-CB 4.35Å; F181-V351 HydrophobicContact CZ-CG1 3.77Å; L347-V351 WeakPolarHBondContact O-CG2 3.38Å; L347-V351 PolarHBondContact O-N 3.23Å; D348-V351 PolarHBondContact O-N 2.81Å; F349-V351 PolarHBondContact O-N 2.7Å; V351-W353 PolarHBondContact O-N 2.99Å; V351-F354 PolarHBondContact O-N 3.46Å; V351-I355 HydrophobicContact CG1-CD1 3.84Å; V351-I355 HydrophobicContact CG1-CG1 4.45Å; V351-I355 WeakPolarHBondContact O-CB 3.44Å; V351-I355 WeakPolarHBondContact O-CG1 3.39Å; V351-I355 PolarHBondContact O-N 3.46Å
352A97.9Very high95.5Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-64.3-39.917900000112.6F181 T184 L185 V188 D348 F349 I355 R356F181-A352 HydrophobicContact CE2-CB 3.96Å; F181-A352 HydrophobicContact CZ-CB 3.94Å; T184-A352 HydrophobicContact CG2-CB 3.88Å; L185-A352 HydrophobicContact CD1-CB 4.33Å; L185-A352 WeakPolarHBondContact CD1-O 3.36Å; V188-A352 HydrophobicContact CB-CB 4.27Å; V188-A352 HydrophobicContact CG2-CB 3.82Å; D348-A352 WeakPolarHBondContact O-CB 3.48Å; D348-A352 PolarHBondContact O-N 2.59Å; F349-A352 PolarHBondContact O-N 3.14Å; A352-I355 PolarHBondContact O-N 2.83Å; A352-R356 VanDerWaalsContact O-CB 3.26Å; A352-R356 WeakPolarHBondContact O-CB 3.41Å; A352-R356 PolarHBondContact O-N 2.83Å
353W98.3Very high95.5Very high13 Ų1348.3 Ų48.35%0.04926%0.262CS..Hα-helixtrans-62.5-48.1175.8-176.794.2000110.9V188 C296 F297 W326 F327 D330 F349 V351 I355 R356 E357V188-W353 HydrophobicContact CG1-CB 4.18Å; C296-W353 HydrophobicContact CB-CH2 4.1Å; C296-W353 HydrophobicContact CB-CZ2 3.92Å; F297-W353 AromaticContact CE1-CH2 3.94Å; F297-W353 HydrophobicContact CE1-CH2 3.94Å; F297-W353 AromaticContact CE1-CZ3 3.81Å; F297-W353 HydrophobicContact CE1-CZ3 3.81Å; F297-W353 HydrophobicContact CZ-CH2 4.47Å; F297-W353 AromaticContact CZ-CZ3 3.97Å; F297-W353 HydrophobicContact CZ-CZ3 3.97Å; W326-W353 AromaticContact CD1-CZ2 3.78Å; W326-W353 HydrophobicContact CG-CZ2 4.45Å; F327-W353 HydrophobicContact CB-CH2 4.35Å; F327-W353 HydrophobicContact CB-CZ2 4.26Å; F327-W353 HydrophobicContact CD2-CB 4.38Å; F327-W353 AromaticContact CD2-CD2 3.64Å; F327-W353 HydrophobicContact CD2-CD2 3.64Å; F327-W353 AromaticContact CD2-CE3 3.74Å; F327-W353 HydrophobicContact CD2-CE3 3.74Å; F327-W353 AromaticContact CD2-CG 3.91Å; F327-W353 HydrophobicContact CD2-CG 3.91Å; F327-W353 HydrophobicContact CD2-CZ3 4.27Å; F327-W353 HydrophobicContact CE2-CB 4.19Å; F327-W353 HydrophobicContact CE2-CD2 4.3Å; F327-W353 HydrophobicContact CE2-CE3 4.39Å; F327-W353 HydrophobicContact CE2-CG 4.21Å; D330-W353 PolarHBondContact OD2-NE1 2.77Å; F349-W353 HydrophobicContact CE2-CB 4.44Å; F349-W353 HydrophobicContact CZ-CB 4.32Å; F349-W353 AromaticContact CZ-CD1 4Å; F349-W353 HydrophobicContact CZ-CG 4.36Å; F349-W353 WeakPolarHBondContact O-CB 3.39Å; F349-W353 PolarHBondContact O-N 2.86Å; V351-W353 PolarHBondContact O-N 2.99Å; W353-I355 PolarHBondContact O-N 3.33Å; W353-R356 PolarHBondContact O-N 3.28Å; W353-E357 HydrophobicContact CD2-CG 3.93Å; W353-E357 HydrophobicContact CE3-CG 4.12Å; W353-E357 HydrophobicContact CH2-CG 3.96Å; W353-E357 HydrophobicContact CZ2-CG 3.75Å; W353-E357 HydrophobicContact CZ3-CG 4.13Å; W353-E357 WeakPolarHBondContact O-CG 3.44Å; W353-E357 PolarHBondContact O-N 3.13Å
354F97.7Very high95.5Very high115 Ų11546.8 Ų46.850%0.50425%0.248SC..Hα-helixtrans-61.3-45.6178-176-87.2000112.2F297 A350 V351 R356 E357 S358F297-F354 HydrophobicContact CE2-CD2 4.19Å; F297-F354 HydrophobicContact CE2-CE2 4.06Å; F297-F354 HydrophobicContact CE2-CZ 4.5Å; F297-F354 AromaticContact CZ-CD2 3.6Å; F297-F354 HydrophobicContact CZ-CD2 3.6Å; F297-F354 AromaticContact CZ-CE2 3.69Å; F297-F354 HydrophobicContact CZ-CE2 3.69Å; F297-F354 HydrophobicContact CZ-CG 4.39Å; A350-F354 WeakPolarHBondContact O-CB 3.38Å; A350-F354 PolarHBondContact O-N 2.91Å; V351-F354 PolarHBondContact O-N 3.46Å; F354-R356 VanDerWaalsContact C-N 3.35Å; F354-R356 PolarHBondContact O-N 3.06Å; F354-E357 PolarHBondContact O-N 3.4Å; F354-S358 WeakPolarHBondContact CE1-OG 3.45Å; F354-S358 WeakPolarHBondContact O-CB 3.49Å; F354-S358 PolarHBondContact O-N 2.97Å; F354-S358 PolarHBondContact O-OG 2.87Å
355I96.4Very high95.3Very high53 Ų5350.5 Ų50.527%0.27227%0.269SS..Hα-helixtrans-62-44.3177.5-73.5177.4000110.4F181 L185 V351 A352 W353 S358 M359F181-I355 HydrophobicContact CE1-CD1 3.8Å; F181-I355 HydrophobicContact CZ-CD1 3.8Å; L185-I355 HydrophobicContact CD1-CB 4.36Å; L185-I355 HydrophobicContact CD1-CG2 3.99Å; L185-I355 HydrophobicContact CD2-CG2 4.32Å; V351-I355 HydrophobicContact CG1-CD1 3.84Å; V351-I355 HydrophobicContact CG1-CG1 4.45Å; V351-I355 WeakPolarHBondContact O-CB 3.44Å; V351-I355 WeakPolarHBondContact O-CG1 3.39Å; V351-I355 PolarHBondContact O-N 3.46Å; A352-I355 PolarHBondContact O-N 2.83Å; W353-I355 PolarHBondContact O-N 3.33Å; I355-S358 PolarHBondContact O-N 3.44Å; I355-M359 HydrophobicContact CG2-CG 4.2Å; I355-M359 HydrophobicContact CG2-SD 3.37Å; I355-M359 WeakPolarHBondContact CG2-SD 3.5Å; I355-M359 VanDerWaalsContact O-CB 3.3Å; I355-M359 WeakPolarHBondContact O-CB 3.36Å; I355-M359 WeakPolarHBondContact O-CG 3.25Å; I355-M359 PolarHBondContact O-N 3.46Å
356R95.8Very high95.2Very high8 Ų850.1 Ų50.13%0.0327%0.266CS..Hα-helixtrans-61.1-49178.4-174.6-86.3-66.2172.18.6111.7L185 Y189 T192 E295 D330 A352 W353 F354 S358 M359 S360L185-R356 HydrophobicContact CD1-CB 3.97Å; Y189-R356 HydrophobicContact CD2-CG 4.24Å; T192-R356 PolarHBondContact OG1-NH2 3.06Å; E295-R356 IonicContact OE2-CZ 2.84Å; E295-R356 IonicContact OE2-NH1 2.85Å; E295-R356 PolarHBondContact OE2-NH1 2.91Å; D330-R356 IonicContact OD2-NH2 2.78Å; D330-R356 PolarHBondContact OD2-NH2 3.43Å; A352-R356 VanDerWaalsContact O-CB 3.26Å; A352-R356 WeakPolarHBondContact O-CB 3.41Å; A352-R356 PolarHBondContact O-N 2.83Å; W353-R356 PolarHBondContact O-N 3.28Å; F354-R356 VanDerWaalsContact C-N 3.35Å; F354-R356 PolarHBondContact O-N 3.06Å; R356-S358 VanDerWaalsContact C-N 3.3Å; R356-S358 PolarHBondContact O-N 3.15Å; R356-M359 PolarHBondContact O-N 3.45Å; R356-S360 PolarHBondContact O-N 3.43Å
357E95.4Very high95Very high2 Ų243 Ų431%0.00924%0.236CC..Hα-helixtrans-61-41178.5-69.5-71.8173.500111C296 F297 W353 F354 S360C296-E357 HydrophobicContact CB-CG 4.18Å; C296-E357 WeakPolarHBondContact CB-OE1 3.38Å; C296-E357 VanDerWaalsContact CB-OE2 3.27Å; C296-E357 WeakPolarHBondContact CB-OE2 3.3Å; C296-E357 PolarHBondContact N-OE2 3.44Å; F297-E357 HydrophobicContact CD2-CB 3.81Å; F297-E357 HydrophobicContact CE1-CB 4.36Å; F297-E357 HydrophobicContact CE2-CB 3.53Å; F297-E357 HydrophobicContact CG-CB 4.34Å; F297-E357 HydrophobicContact CZ-CB 3.81Å; W353-E357 HydrophobicContact CD2-CG 3.93Å; W353-E357 HydrophobicContact CE3-CG 4.12Å; W353-E357 HydrophobicContact CH2-CG 3.96Å; W353-E357 HydrophobicContact CZ2-CG 3.75Å; W353-E357 HydrophobicContact CZ3-CG 4.13Å; W353-E357 WeakPolarHBondContact O-CG 3.44Å; W353-E357 PolarHBondContact O-N 3.13Å; F354-E357 PolarHBondContact O-N 3.4Å; E357-S360 PolarHBondContact O-N 3.24Å; E357-S360 PolarHBondContact O-OG 3.24Å
358S94.1Very high94.6Very high54 Ų5441.4 Ų41.438%0.37823%0.228SC..Hα-helixtrans-66.2-38176.8-56.70000113F354 I355 R356 S360F354-S358 WeakPolarHBondContact CE1-OG 3.45Å; F354-S358 WeakPolarHBondContact O-CB 3.49Å; F354-S358 PolarHBondContact O-N 2.97Å; F354-S358 PolarHBondContact O-OG 2.87Å; I355-S358 PolarHBondContact O-N 3.44Å; R356-S358 VanDerWaalsContact C-N 3.3Å; R356-S358 PolarHBondContact O-N 3.15Å; S358-S360 VanDerWaalsContact C-N 3.32Å; S358-S360 PolarHBondContact O-N 2.92Å
359M92.9Very high94.2Very high13 Ų1349.8 Ų49.86%0.06426%0.255CS..Hα-helixtrans-75.3-18.3-178.1-77.3173.741.600113.7L185 F270 Q271 I355 R356 V361 Q362 I363L185-M359 HydrophobicContact CD2-CE 4.44Å; L185-M359 HydrophobicContact CD2-SD 4.39Å; F270-M359 HydrophobicContact CD1-CE 4.25Å; F270-M359 HydrophobicContact CE1-CE 4.23Å; Q271-M359 HydrophobicContact CG-CE 3.26Å; I355-M359 HydrophobicContact CG2-CG 4.2Å; I355-M359 HydrophobicContact CG2-SD 3.37Å; I355-M359 WeakPolarHBondContact CG2-SD 3.5Å; I355-M359 VanDerWaalsContact O-CB 3.3Å; I355-M359 WeakPolarHBondContact O-CB 3.36Å; I355-M359 WeakPolarHBondContact O-CG 3.25Å; I355-M359 PolarHBondContact O-N 3.46Å; R356-M359 PolarHBondContact O-N 3.45Å; M359-V361 PolarHBondContact O-N 3.38Å; M359-Q362 WeakPolarHBondContact O-CB 3.34Å; M359-Q362 PolarHBondContact O-N 2.93Å; M359-I363 HydrophobicContact CB-CD1 4.12Å; M359-I363 HydrophobicContact CE-CD1 4.06Å; M359-I363 WeakPolarHBondContact O-CB 3.2Å; M359-I363 VanDerWaalsContact O-CG1 3.31Å; M359-I363 WeakPolarHBondContact O-CG1 3.3Å; M359-I363 PolarHBondContact O-N 2.95Å
360S90.4Very high93.5Very high21 Ų2152.8 Ų52.815%0.14727%0.272CS..Hα-helixtrans-55.2-50.8-175.263.30000112.9R356 E357 S358 I363 F364R356-S360 PolarHBondContact O-N 3.43Å; E357-S360 PolarHBondContact O-N 3.24Å; E357-S360 PolarHBondContact O-OG 3.24Å; S358-S360 VanDerWaalsContact C-N 3.32Å; S358-S360 PolarHBondContact O-N 2.92Å; S360-I363 PolarHBondContact O-N 3.49Å; S360-F364 WeakPolarHBondContact O-CB 3.39Å; S360-F364 PolarHBondContact O-N 2.84Å
361V91.1Very high92.4Very high62 Ų6254 Ų5438%0.37628%0.276SS..Hα-helixtrans-65.1-42.3178.7178.60000110.9M359 F364 L365M359-V361 PolarHBondContact O-N 3.38Å; V361-F364 PolarHBondContact O-N 3.11Å; V361-L365 HydrophobicContact CG1-CD1 3.94Å; V361-L365 HydrophobicContact CG1-CG 4.28Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 3.3Å
362Q93.1Very high91.8Very high89 Ų8951.9 Ų51.942%0.41626%0.263SS..Hα-helixtrans-60.3-47.8177.4-177.1-146.3-2600111.7M359 F364 L365 S366M359-Q362 WeakPolarHBondContact O-CB 3.34Å; M359-Q362 PolarHBondContact O-N 2.93Å; Q362-F364 VanDerWaalsContact C-N 3.28Å; Q362-F364 PolarHBondContact O-N 3.33Å; Q362-L365 PolarHBondContact O-N 3.05Å; Q362-S366 VanDerWaalsContact O-CB 3.3Å; Q362-S366 WeakPolarHBondContact O-CB 3.35Å; Q362-S366 PolarHBondContact O-N 3.42Å; Q362-S366 PolarHBondContact O-OG 3.43Å
363I93.2Very high91.2Very high12 Ų1252 Ų526%0.06226%0.264CS..Hα-helixtrans-58.7-44.6178.2-75165.8000110M274 I275 M359 S360 S366 A367M274-I363 HydrophobicContact CB-CD1 3.89Å; M274-I363 HydrophobicContact CB-CG1 4.49Å; M274-I363 HydrophobicContact CB-CG2 3.99Å; M274-I363 HydrophobicContact CG-CD1 4.47Å; I275-I363 HydrophobicContact CG1-CB 4.32Å; I275-I363 HydrophobicContact CG1-CG1 4.33Å; I275-I363 HydrophobicContact CG1-CG2 3.97Å; M359-I363 HydrophobicContact CB-CD1 4.12Å; M359-I363 HydrophobicContact CE-CD1 4.06Å; M359-I363 WeakPolarHBondContact O-CB 3.2Å; M359-I363 VanDerWaalsContact O-CG1 3.31Å; M359-I363 WeakPolarHBondContact O-CG1 3.3Å; M359-I363 PolarHBondContact O-N 2.95Å; S360-I363 PolarHBondContact O-N 3.49Å; I363-S366 PolarHBondContact O-N 2.87Å; I363-A367 WeakPolarHBondContact O-CB 3.44Å; I363-A367 PolarHBondContact O-N 2.87Å
364F93.1Very high90.4Very high21 Ų2155.4 Ų55.49%0.09229%0.29CS..Hα-helixtrans-66.3-46.8-179.4-174-92.1000112.4T278 I282 V289 P292 S360 V361 Q362 S366 A367 L368T278-F364 HydrophobicContact CG2-CD2 3.7Å; T278-F364 HydrophobicContact CG2-CE2 4.32Å; I282-F364 HydrophobicContact CD1-CD2 4.3Å; I282-F364 HydrophobicContact CD1-CE2 3.75Å; I282-F364 HydrophobicContact CD1-CZ 4.14Å; I282-F364 HydrophobicContact CG1-CE2 4.22Å; V289-F364 HydrophobicContact CB-CZ 4.3Å; V289-F364 WeakPolarHBondContact O-CZ 3.41Å; P292-F364 HydrophobicContact CG-CB 3.94Å; P292-F364 HydrophobicContact CG-CD1 3.5Å; P292-F364 VanDerWaalsContact CG-CD1 3.5Å; P292-F364 HydrophobicContact CG-CD2 3.49Å; P292-F364 VanDerWaalsContact CG-CD2 3.49Å; P292-F364 HydrophobicContact CG-CE1 3.77Å; P292-F364 HydrophobicContact CG-CE2 3.79Å; P292-F364 HydrophobicContact CG-CG 3.35Å; P292-F364 HydrophobicContact CG-CZ 3.93Å; S360-F364 WeakPolarHBondContact O-CB 3.39Å; S360-F364 PolarHBondContact O-N 2.84Å; V361-F364 PolarHBondContact O-N 3.11Å; Q362-F364 VanDerWaalsContact C-N 3.28Å; Q362-F364 PolarHBondContact O-N 3.33Å; F364-S366 VanDerWaalsContact C-N 3.3Å; F364-S366 PolarHBondContact O-N 3.11Å; F364-A367 WeakPolarHBondContact O-CB 3.37Å; F364-A367 PolarHBondContact O-N 3.41Å; F364-A367 VanDerWaalsContact O-N 3.13Å; F364-L368 HydrophobicContact CD1-CD1 3.91Å; F364-L368 HydrophobicContact CD1-CG 4.38Å; F364-L368 HydrophobicContact CE1-CD1 3.39Å; F364-L368 HydrophobicContact CE1-CG 4.02Å; F364-L368 HydrophobicContact CZ-CD1 4.1Å; F364-L368 HydrophobicContact CZ-CG 4.41Å; F364-L368 PolarHBondContact O-N 3.43Å
365L92.4Very high89.3Confident104 Ų10451.6 Ų51.655%0.54527%0.272SS..Hα-helixtrans-62-39.1176-68.7176.1000111.9V361 Q362 A367 L368 W369V361-L365 HydrophobicContact CG1-CD1 3.94Å; V361-L365 HydrophobicContact CG1-CG 4.28Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 3.3Å; Q362-L365 PolarHBondContact O-N 3.05Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 3.22Å; L365-L368 PolarHBondContact O-N 2.99Å; L365-W369 PolarHBondContact O-N 3.46Å
366S92.2Very high88.1Confident45 Ų4553.9 Ų53.932%0.31528%0.277SS..Hα-helixtrans-65.6-33.5175.7-63.80000112.3Q362 I363 F364Q362-S366 VanDerWaalsContact O-CB 3.3Å; Q362-S366 WeakPolarHBondContact O-CB 3.35Å; Q362-S366 PolarHBondContact O-N 3.42Å; Q362-S366 PolarHBondContact O-OG 3.43Å; I363-S366 PolarHBondContact O-N 2.87Å; F364-S366 VanDerWaalsContact C-N 3.3Å; F364-S366 PolarHBondContact O-N 3.11Å
367A91.5Very high86.8Confident5 Ų558.4 Ų58.44%0.04131%0.306CS..Hα-helixtrans-69.7-35.8174.100000112.5I275 T278 K279 I282 I363 F364 L365I275-A367 HydrophobicContact CG2-CB 4.39Å; T278-A367 HydrophobicContact CG2-CB 3.68Å; K279-A367 HydrophobicContact CG-CB 3.72Å; I282-A367 HydrophobicContact CD1-CB 4.47Å; I363-A367 WeakPolarHBondContact O-CB 3.44Å; I363-A367 PolarHBondContact O-N 2.87Å; F364-A367 WeakPolarHBondContact O-CB 3.37Å; F364-A367 PolarHBondContact O-N 3.41Å; F364-A367 VanDerWaalsContact O-N 3.13Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 3.22Å
368L88.9Confident86Confident92 Ų9258.9 Ų58.948%0.48231%0.311SS..Hα-helixtrans-72.4-32.3176.4-71.8178.3000113.3I282 F364 L365I282-L368 HydrophobicContact CD1-CD2 3.81Å; I282-L368 HydrophobicContact CD1-CG 4.32Å; I282-L368 HydrophobicContact CG2-CD2 4.44Å; F364-L368 HydrophobicContact CD1-CD1 3.91Å; F364-L368 HydrophobicContact CD1-CG 4.38Å; F364-L368 HydrophobicContact CE1-CD1 3.39Å; F364-L368 HydrophobicContact CE1-CG 4.02Å; F364-L368 HydrophobicContact CZ-CD1 4.1Å; F364-L368 HydrophobicContact CZ-CG 4.41Å; F364-L368 PolarHBondContact O-N 3.43Å; L365-L368 PolarHBondContact O-N 2.99Å
369W89Confident85.6Confident235 Ų23561.2 Ų61.289%0.8931%0.312SS*.Hα-helixtrans-68-38.8-175.4-171.9-87.8000113.5L365L365-W369 PolarHBondContact O-N 3.46Å
370D83.2Confident85.4Confident65 Ų6560.9 Ų60.935%0.34831%0.31SS..  trans-127.7112.6-179.2168.232.2000110.3K279 T372K279-D370 VanDerWaalsContact CD-O 3.28Å; K279-D370 WeakPolarHBondContact CD-O 3.32Å; K279-D370 WeakPolarHBondContact CE-O 3.43Å; K279-D370 PolarHBondContact NZ-O 3.18Å; K279-D370 IonicContact NZ-OD2 3.46Å; K279-D370 PolarHBondContact NZ-OD2 2.9Å; D370-T372 PolarHBondContact O-N 3.47Å; D370-T372 WeakPolarHBondContact OD1-CB 3.49Å; D370-T372 PolarHBondContact OD1-N 3.31Å; D370-T372 PolarHBondContact OD1-OG1 3.33Å
371P75.6Confident85.2Confident59 Ų5966 Ų6638%0.38333%0.326SS..  trans-75.5-3.917931.1-35000113.6
372T85.2Confident85Confident21 Ų2163.5 Ų63.513%0.12931%0.31CS..EExtended strand (participates in β ladder)trans-81.1139.8-174.9-44.10000111.9K279 D370 R379 Y380 I391K279-T372 WeakPolarHBondContact CD-O 3.26Å; K279-T372 PolarHBondContact NZ-O 3.38Å; D370-T372 PolarHBondContact O-N 3.47Å; D370-T372 WeakPolarHBondContact OD1-CB 3.49Å; D370-T372 PolarHBondContact OD1-N 3.31Å; D370-T372 PolarHBondContact OD1-OG1 3.33Å; T372-R379 HydrophobicContact CG2-CB 4.33Å; T372-Y380 CarbonylContact C-O 3.55Å; T372-Y380 WeakPolarHBondContact CA-O 3.36Å; T372-I391 HydrophobicContact CG2-CD1 3.57Å
373I85.1Confident84.6Confident2 Ų265.6 Ų65.61%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-117.2123.4175.8-69.8-178.3000109.7R276 K279 L280 W375 R379 Y380 L382R276-I373 HydrophobicContact CG-CD1 4.02Å; R276-I373 HydrophobicContact CG-CG1 4.21Å; R276-I373 HydrophobicContact CG-CG2 3.69Å; K279-I373 HydrophobicContact CB-CD1 4.02Å; K279-I373 HydrophobicContact CB-CG1 4.18Å; K279-I373 HydrophobicContact CD-CG1 3.97Å; L280-I373 HydrophobicContact CD1-CD1 4.46Å; L280-I373 HydrophobicContact CD2-CD1 3.67Å; L280-I373 HydrophobicContact CG-CD1 3.65Å; I373-W375 HydrophobicContact CG2-CB 4.09Å; I373-R379 CarbonylContact O-C 3.53Å; I373-R379 WeakPolarHBondContact O-CA 3.16Å; I373-Y380 PolarHBondContact N-O 3.36Å; I373-Y380 PolarHBondContact O-N 2.98Å; I373-L382 HydrophobicContact CD1-CD1 3.36Å; I373-L382 HydrophobicContact CD1-CD2 4.17Å; I373-L382 HydrophobicContact CD1-CG 3.81Å; I373-L382 HydrophobicContact CG1-CD1 4.21Å; I373-L382 HydrophobicContact CG1-CG 4.44Å
374S82Confident84.1Confident85 Ų8570 Ų7059%0.59435%0.345SS*.EExtended strand (participates in β ladder)trans-87.9121.4162.5-56.60000109.4
375W75.3Confident83.7Confident35 Ų3570.7 Ų70.713%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-140.4118.4176.7-172.552000112.2N123 P124 K125 I234 I373 T377 G378 Y380N123-W375 WeakPolarHBondContact OD1-CZ3 3.24Å; P124-W375 HydrophobicContact CG-CE3 3.69Å; P124-W375 HydrophobicContact CG-CH2 4.2Å; P124-W375 HydrophobicContact CG-CZ3 3.47Å; P124-W375 VanDerWaalsContact CG-CZ3 3.47Å; K125-W375 HydrophobicContact CB-CH2 3.62Å; K125-W375 HydrophobicContact CB-CZ2 4.34Å; I234-W375 HydrophobicContact CD1-CE3 4.18Å; I234-W375 HydrophobicContact CD1-CZ3 4.4Å; I234-W375 HydrophobicContact CG2-CE3 4.23Å; I373-W375 HydrophobicContact CG2-CB 4.09Å; W375-T377 PolarHBondContact O-N 3.47Å; W375-G378 PolarHBondContact N-O 2.96Å; W375-G378 PolarHBondContact O-N 3.33Å; W375-G378 VanDerWaalsContact O-N 3.12Å; W375-Y380 HydrophobicContact CB-CD2 4.3Å; W375-Y380 HydrophobicContact CB-CE2 4.12Å; W375-Y380 HydrophobicContact CE3-CE2 4.49Å
376R71.2Confident83.2Confident102 Ų10265.9 Ų65.939%0.38533%0.334SS..THydrogen-bonded Turntrans53-94.5-178.5-70.4174.3164.9-158.21.5111.5K61K61-R376 HydrophobicContact CD-CB 4.07Å; K61-R376 HydrophobicContact CD-CG 4.12Å
377T67Low83Confident103 Ų10365.6 Ų65.663%0.63233%0.33SS*.THydrogen-bonded Turntrans-107.7-2.7-172.935.80000114.8K61 W375K61-T377 PolarHBondContact NZ-OG1 2.94Å; W375-T377 PolarHBondContact O-N 3.47Å
378G79.2Confident82.8Confident11 Ų1165.8 Ų65.811%0.11333%0.332CS..EExtended strand (participates in β ladder)trans-136.4162.9-174.100000114W375W375-G378 PolarHBondContact N-O 2.96Å; W375-G378 PolarHBondContact O-N 3.33Å; W375-G378 VanDerWaalsContact O-N 3.12Å
379R86.4Confident82.7Confident104 Ų10465.4 Ų65.439%0.39233%0.328SS..EExtended strand (participates in β ladder)trans-106.8134.4166.2-59-162.6-59.8158.61108.6T372 I373 I391 D393T372-R379 HydrophobicContact CG2-CB 4.33Å; I373-R379 CarbonylContact O-C 3.53Å; I373-R379 WeakPolarHBondContact O-CA 3.16Å; R379-I391 HydrophobicContact CB-CB 4.28Å; R379-I391 PolarHBondContact O-N 3.37Å; R379-D393 IonicContact CZ-OD1 2.87Å; R379-D393 IonicContact CZ-OD2 2.7Å; R379-D393 IonicContact NE-OD1 3.81Å; R379-D393 PolarHBondContact NE-OD1 2.89Å; R379-D393 IonicContact NE-OD2 3.65Å; R379-D393 PolarHBondContact NE-OD2 3.46Å; R379-D393 VanDerWaalsContact NH2-CG 3.32Å; R379-D393 IonicContact NH2-OD1 3.31Å; R379-D393 PolarHBondContact NH2-OD1 2.88Å; R379-D393 IonicContact NH2-OD2 2.83Å
380Y87.9Confident82.5Confident5 Ų558.6 Ų58.62%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-128.8136.5-174-56.7-83.5000110.5I122 I234 T372 I373 W375 E389 E390I122-Y380 HydrophobicContact CB-CE1 4.44Å; I122-Y380 HydrophobicContact CD1-CD1 4.3Å; I234-Y380 HydrophobicContact CD1-CD1 3.93Å; I234-Y380 HydrophobicContact CD1-CD2 4.04Å; I234-Y380 HydrophobicContact CD1-CE1 4.12Å; I234-Y380 HydrophobicContact CD1-CE2 4.22Å; I234-Y380 HydrophobicContact CD1-CG 3.88Å; I234-Y380 HydrophobicContact CG1-CG 4.38Å; T372-Y380 CarbonylContact C-O 3.55Å; T372-Y380 WeakPolarHBondContact CA-O 3.36Å; I373-Y380 PolarHBondContact N-O 3.36Å; I373-Y380 PolarHBondContact O-N 2.98Å; W375-Y380 HydrophobicContact CB-CD2 4.3Å; W375-Y380 HydrophobicContact CB-CE2 4.12Å; W375-Y380 HydrophobicContact CE3-CE2 4.49Å; Y380-E389 CarbonylContact C-O 3.6Å; Y380-E389 VanDerWaalsContact CA-O 3.26Å; Y380-E389 WeakPolarHBondContact CA-O 3.46Å; Y380-E390 HydrophobicContact CD1-CB 4.31Å; Y380-E390 HydrophobicContact CE1-CB 4.28Å; Y380-E390 HydrophobicContact CE1-CG 4.35Å
381R87.1Confident82.7Confident128 Ų12857.4 Ų57.448%0.48330%0.299SS..EExtended strand (participates in β ladder)trans-96.6124.8167.6-173.1167.7-71.7161.7-1.3109.1A388 E389 I391R381-A388 CarbonylContact O-C 3.57Å; R381-A388 WeakPolarHBondContact O-CA 3.5Å; R381-E389 PolarHBondContact N-O 3.41Å; R381-E389 PolarHBondContact O-N 2.94Å; R381-I391 HydrophobicContact CB-CD1 4.06Å; R381-I391 HydrophobicContact CB-CG1 4.12Å
382L86.6Confident82.8Confident10 Ų1060.9 Ų60.95%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-80.5143.4174.3-65.3176.3000111.1K279 L280 N283 I373 A388K279-L382 HydrophobicContact CB-CD1 4.19Å; K279-L382 WeakPolarHBondContact O-CD1 3.35Å; L280-L382 HydrophobicContact CD2-CD1 3.97Å; L280-L382 HydrophobicContact CD2-CD2 3.8Å; L280-L382 HydrophobicContact CG-CD1 4.4Å; N283-L382 HydrophobicContact CB-CB 3.97Å; N283-L382 HydrophobicContact CB-CD1 4.06Å; I373-L382 HydrophobicContact CD1-CD1 3.36Å; I373-L382 HydrophobicContact CD1-CD2 4.17Å; I373-L382 HydrophobicContact CD1-CG 3.81Å; I373-L382 HydrophobicContact CG1-CD1 4.21Å; I373-L382 HydrophobicContact CG1-CG 4.44Å; L382-A388 HydrophobicContact CD2-CB 4.11Å
383R85.2Confident81.7Confident133 Ų13365.1 Ų65.150%0.50234%0.336SS..  trans-111.6160.1167.8-66.2-170173.1-144.75.8110.4G385 G386 T387 E389R383-G385 PolarHBondContact O-N 2.94Å; R383-G386 PolarHBondContact O-N 3.1Å; R383-T387 PolarHBondContact N-O 3.31Å; R383-E389 VanDerWaalsContact CZ-CD 3.44Å; R383-E389 IonicContact CZ-OE1 2.86Å; R383-E389 IonicContact CZ-OE2 2.59Å; R383-E389 VanDerWaalsContact CZ-OE2 3.26Å; R383-E389 IonicContact NE-OE1 3.4Å; R383-E389 PolarHBondContact NE-OE1 3.18Å; R383-E389 IonicContact NE-OE2 2.83Å; R383-E389 PolarHBondContact NE-OE2 3.03Å; R383-E389 IonicContact NH1-OE1 2.77Å; R383-E389 IonicContact NH2-OE1 3.42Å; R383-E389 PolarHBondContact NH2-OE1 3.38Å; R383-E389 IonicContact NH2-OE2 3.07Å; R383-E389 PolarHBondContact NH2-OE2 2.78Å
384C83Confident79.8Confident105 Ų10575 Ų7571%0.70940%0.395SS*.THydrogen-bonded Turntrans-58.1135171.8-169.80000109.9
385G82.7Confident79.7Confident36 Ų3674.5 Ų74.537%0.37139%0.385SS..THydrogen-bonded Turntrans90.84-17000000113.5F239 N283 R383 T387F239-G385 WeakPolarHBondContact CE1-O 3.32Å; F239-G385 WeakPolarHBondContact CZ-O 3.4Å; N283-G385 PolarHBondContact O-N 2.76Å; R383-G385 PolarHBondContact O-N 2.94Å; G385-T387 VanDerWaalsContact C-N 3.31Å; G385-T387 PolarHBondContact O-N 3.01Å
386G83.1Confident79.9Confident2 Ų276.5 Ų76.52%0.02140%0.398CS..SBendtrans77.63.3169.300000116.2Y233 N283 R383Y233-G386 WeakPolarHBondContact CD1-O 3.46Å; N283-G386 PolarHBondContact O-N 3.06Å; R383-G386 PolarHBondContact O-N 3.1Å
387T87.2Confident80.4Confident39 Ų3975.1 Ų75.124%0.23940%0.399CS..BIsolated β-bridgetrans-65.4152.1168.955.10000109.9Q232 Y233 R383 G385Q232-T387 HydrophobicContact CG-CG2 4.41Å; Y233-T387 HydrophobicContact CD1-CG2 4.09Å; Y233-T387 HydrophobicContact CE1-CG2 3.56Å; R383-T387 PolarHBondContact N-O 3.31Å; G385-T387 VanDerWaalsContact C-N 3.31Å; G385-T387 PolarHBondContact O-N 3.01Å
388A87.5Confident81.2Confident10 Ų1073.5 Ų73.58%0.08339%0.386CS..EExtended strand (participates in β ladder)trans-125.6154.5177.600000111.5I122 Q232 I234 R381 L382I122-A388 VanDerWaalsContact CD1-C 3.41Å; I122-A388 HydrophobicContact CD1-CB 3.29Å; I122-A388 WeakPolarHBondContact CD1-O 3.28Å; Q232-A388 PolarHBondContact O-N 3.37Å; I234-A388 HydrophobicContact CD1-CB 4.24Å; I234-A388 HydrophobicContact CG1-CB 3.55Å; R381-A388 CarbonylContact O-C 3.57Å; R381-A388 WeakPolarHBondContact O-CA 3.5Å; L382-A388 HydrophobicContact CD2-CB 4.11Å
389E87.4Confident81.3Confident84 Ų8477.4 Ų77.439%0.39340%0.403SS..EExtended strand (participates in β ladder)trans-123134.2172-67.8178.5159.100108.7Y380 R381 R383 I391Y380-E389 CarbonylContact C-O 3.6Å; Y380-E389 VanDerWaalsContact CA-O 3.26Å; Y380-E389 WeakPolarHBondContact CA-O 3.46Å; R381-E389 PolarHBondContact N-O 3.41Å; R381-E389 PolarHBondContact O-N 2.94Å; R383-E389 VanDerWaalsContact CZ-CD 3.44Å; R383-E389 IonicContact CZ-OE1 2.86Å; R383-E389 IonicContact CZ-OE2 2.59Å; R383-E389 VanDerWaalsContact CZ-OE2 3.26Å; R383-E389 IonicContact NE-OE1 3.4Å; R383-E389 PolarHBondContact NE-OE1 3.18Å; R383-E389 IonicContact NE-OE2 2.83Å; R383-E389 PolarHBondContact NE-OE2 3.03Å; R383-E389 IonicContact NH1-OE1 2.77Å; R383-E389 IonicContact NH2-OE1 3.42Å; R383-E389 PolarHBondContact NH2-OE1 3.38Å; R383-E389 IonicContact NH2-OE2 3.07Å; R383-E389 PolarHBondContact NH2-OE2 2.78Å; E389-I391 PolarHBondContact O-N 2.92Å
390E85.6Confident80.9Confident91 Ų9175.6 Ų75.643%0.42540%0.403SS..EExtended strand (participates in β ladder)trans-71.7128.1174.9-172.3166.7-146.700109.4Y380 L392Y380-E390 HydrophobicContact CD1-CB 4.31Å; Y380-E390 HydrophobicContact CE1-CB 4.28Å; Y380-E390 HydrophobicContact CE1-CG 4.35Å; E390-L392 HydrophobicContact CG-CD2 4.5Å
391I85.6Confident80.4Confident40 Ų4080.6 Ų80.621%0.20543%0.431CS..EExtended strand (participates in β ladder)trans-88.8111.7171.7-54.5179.4000106.1T372 R379 R381 E389T372-I391 HydrophobicContact CG2-CD1 3.57Å; R379-I391 HydrophobicContact CB-CB 4.28Å; R379-I391 PolarHBondContact O-N 3.37Å; R381-I391 HydrophobicContact CB-CD1 4.06Å; R381-I391 HydrophobicContact CB-CG1 4.12Å; E389-I391 PolarHBondContact O-N 2.92Å
392L78.1Confident79.9Confident132 Ų13277 Ų7769%0.69143%0.427SS*.  trans-77.3122.9168.3-61.1174.3000107.5E390 V394E390-L392 HydrophobicContact CG-CD2 4.5Å; L392-V394 PolarHBondContact O-N 2.94Å; L392-V394 VanDerWaalsContact O-N 3.14Å
393D63.6Low79.4Confident111 Ų11182.6 Ų82.659%0.59446%0.458SS*.  trans-69.9108.3172.1-65.31.3000106.5R379R379-D393 IonicContact CZ-OD1 2.87Å; R379-D393 IonicContact CZ-OD2 2.7Å; R379-D393 IonicContact NE-OD1 3.81Å; R379-D393 PolarHBondContact NE-OD1 2.89Å; R379-D393 IonicContact NE-OD2 3.65Å; R379-D393 PolarHBondContact NE-OD2 3.46Å; R379-D393 VanDerWaalsContact NH2-CG 3.32Å; R379-D393 IonicContact NH2-OD1 3.31Å; R379-D393 PolarHBondContact NH2-OD1 2.88Å; R379-D393 IonicContact NH2-OD2 2.83Å
394V43.6Very low78.8Confident208 Ų20878 Ų78100%1.26145%0.454SS*.  trans-80.10174.4-178.90000109.9L392L392-V394 PolarHBondContact O-N 2.94Å; L392-V394 VanDerWaalsContact O-N 3.14Å

Retrieved 394 of 394 residues in 540.4 ms (Link to these results)

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