A0A093HWS4_STRCA Loading...

2-oxoglutarate and iron-dependent oxygenase JMJD4

AlphaFold DB , UniProt , Accession A0A093HWS4, Species STRCA (Struthio camelus australis), Gene n/a, Length 427 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
1M90.3Very high92.8Very high29 Ų2954.8 Ų54.814%0.14331%0.314CS..  0120.70-178.3-177.2-69.300108.8T5 F6 F46 L374 L377 H378 F381M1-T5 HydrophobicContact CG-CG2 4.07Å; M1-F6 HydrophobicContact CG-CB 4.29Å; M1-F6 HydrophobicContact SD-CB 3.8Å; M1-F6 HydrophobicContact SD-CD2 3.88Å; M1-F6 HydrophobicContact SD-CG 4.36Å; M1-F46 HydrophobicContact CE-CD1 4.25Å; M1-F46 HydrophobicContact CE-CD2 4.16Å; M1-F46 HydrophobicContact CE-CE1 3.73Å; M1-F46 HydrophobicContact CE-CE2 3.65Å; M1-F46 HydrophobicContact CE-CG 4.43Å; M1-F46 HydrophobicContact CE-CZ 3.42Å; M1-F46 VanDerWaalsContact CE-CZ 3.42Å; M1-L374 PolarHBondContact N-O 3.45Å; M1-L377 HydrophobicContact SD-CB 4.5Å; M1-H378 HydrophobicContact CB-CB 3.88Å; M1-H378 HydrophobicContact CE-CB 4.3Å; M1-H378 VanDerWaalsContact CE-CD2 3.49Å; M1-H378 WeakPolarHBondContact CE-CD2 3.46Å; M1-F381 HydrophobicContact CE-CB 4.03Å; M1-F381 HydrophobicContact CE-CD1 4.07Å; M1-F381 HydrophobicContact CE-CG 4.02Å; M1-F381 HydrophobicContact SD-CB 4.17Å
2D92.6Very high92.5Very high69 Ų6956.4 Ų56.437%0.36932%0.315SS..  trans-84.1173.1174.765.857.5000112.9A4 T5 F6 S43D2-A4 VanDerWaalsContact C-N 3.33Å; D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 WeakPolarHBondContact OD1-CA 3.43Å; D2-A4 WeakPolarHBondContact OD1-CB 3.06Å; D2-A4 PolarHBondContact OD1-N 3.28Å; D2-T5 PolarHBondContact O-N 2.62Å; D2-T5 PolarHBondContact OD1-N 3.42Å; D2-T5 PolarHBondContact OD1-OG1 3.48Å; D2-F6 WeakPolarHBondContact O-CB 3.46Å; D2-F6 PolarHBondContact O-N 2.89Å; D2-S43 PolarHBondContact N-OG 3.25Å; D2-S43 WeakPolarHBondContact OD2-CB 3.42Å; D2-S43 PolarHBondContact OD2-OG 2.82Å
3R93.9Very high92.1Very high211 Ų21153.3 Ų53.380%0.79630%0.296SS*.Hα-helixtrans-62.5-36-178.4-71.2-178.7-177.6-108.40.6113.1A7 L377R3-A7 WeakPolarHBondContact O-CB 3.43Å; R3-A7 PolarHBondContact O-N 2.98Å; R3-L377 HydrophobicContact CB-CD1 4.36Å; R3-L377 HydrophobicContact CG-CD1 3.73Å
4A94.6Very high91.4Very high72 Ų7262.1 Ų62.160%0.59532%0.322SS*.Hα-helixtrans-70.7-44-178.900000110.4D2 F6 A7 C8D2-A4 VanDerWaalsContact C-N 3.33Å; D2-A4 PolarHBondContact O-N 3.44Å; D2-A4 WeakPolarHBondContact OD1-CA 3.43Å; D2-A4 WeakPolarHBondContact OD1-CB 3.06Å; D2-A4 PolarHBondContact OD1-N 3.28Å; A4-F6 PolarHBondContact O-N 2.99Å; A4-A7 PolarHBondContact O-N 3.25Å; A4-C8 WeakPolarHBondContact O-CB 3.47Å; A4-C8 PolarHBondContact O-N 3.12Å
5T95.3Very high90.2Very high0 Ų065.7 Ų65.70%034%0.342CS..Hα-helixtrans-64.4-39.6175-62.60000111.8M1 D2 C8 S9 S43 F46M1-T5 HydrophobicContact CG-CG2 4.07Å; D2-T5 PolarHBondContact O-N 2.62Å; D2-T5 PolarHBondContact OD1-N 3.42Å; D2-T5 PolarHBondContact OD1-OG1 3.48Å; T5-C8 PolarHBondContact O-N 2.9Å; T5-S9 WeakPolarHBondContact O-CB 3.4Å; T5-S9 PolarHBondContact O-N 3.27Å; T5-S9 PolarHBondContact O-OG 3.25Å; T5-S43 WeakPolarHBondContact OG1-CB 3.32Å; T5-S43 PolarHBondContact OG1-O 3.13Å; T5-F46 HydrophobicContact CG2-CB 4.07Å; T5-F46 HydrophobicContact CG2-CD1 3.42Å; T5-F46 VanDerWaalsContact CG2-CD1 3.42Å; T5-F46 HydrophobicContact CG2-CE1 4.17Å; T5-F46 HydrophobicContact CG2-CG 4.01Å
6F95.9Very high88.6Confident27 Ų2765.5 Ų65.512%0.11834%0.336CS..Hα-helixtrans-63.2-42.1174.1179.9-103.8000113.3M1 D2 A4 S9 T10 L377 V380 F381 L426M1-F6 HydrophobicContact CG-CB 4.29Å; M1-F6 HydrophobicContact SD-CB 3.8Å; M1-F6 HydrophobicContact SD-CD2 3.88Å; M1-F6 HydrophobicContact SD-CG 4.36Å; D2-F6 WeakPolarHBondContact O-CB 3.46Å; D2-F6 PolarHBondContact O-N 2.89Å; A4-F6 PolarHBondContact O-N 2.99Å; F6-S9 PolarHBondContact O-OG 3.42Å; F6-T10 WeakPolarHBondContact O-CB 3.48Å; F6-T10 PolarHBondContact O-N 3.09Å; F6-T10 PolarHBondContact O-OG1 3.43Å; F6-L377 HydrophobicContact CB-CB 4.22Å; F6-L377 HydrophobicContact CB-CD1 4.24Å; F6-L377 HydrophobicContact CD1-CD2 4.15Å; F6-L377 HydrophobicContact CD2-CB 4.12Å; F6-L377 VanDerWaalsContact CD2-O 3.28Å; F6-L377 WeakPolarHBondContact CD2-O 3.39Å; F6-L377 HydrophobicContact CE1-CD2 4.37Å; F6-L377 WeakPolarHBondContact CE2-O 3.38Å; F6-L377 HydrophobicContact CG-CB 4.21Å; F6-L377 HydrophobicContact CG-CD2 4.21Å; F6-V380 HydrophobicContact CE2-CB 4.19Å; F6-V380 HydrophobicContact CE2-CG1 3.96Å; F6-V380 HydrophobicContact CZ-CB 4.42Å; F6-V380 HydrophobicContact CZ-CG1 3.8Å; F6-F381 HydrophobicContact CD2-CB 4.09Å; F6-F381 HydrophobicContact CE2-CB 4.06Å; F6-L426 HydrophobicContact CZ-CD2 4.48Å
7A93.7Very high86.7Confident58 Ų5864.9 Ų64.948%0.47934%0.339SS..Hα-helixtrans-65.7-43.9176.500000111.3R3 A4 T10 A11R3-A7 WeakPolarHBondContact O-CB 3.43Å; R3-A7 PolarHBondContact O-N 2.98Å; A4-A7 PolarHBondContact O-N 3.25Å; A7-T10 PolarHBondContact O-N 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.24Å; A7-A11 PolarHBondContact O-N 3.1Å
8C92.3Very high84.8Confident54 Ų5463.6 Ų63.637%0.36534%0.34SS..Hα-helixtrans-59.5-47.6175.9-179.20000111.7A4 T5 T10 A11 F12A4-C8 WeakPolarHBondContact O-CB 3.47Å; A4-C8 PolarHBondContact O-N 3.12Å; T5-C8 PolarHBondContact O-N 2.9Å; C8-T10 PolarHBondContact O-N 3.3Å; C8-A11 PolarHBondContact O-N 3.21Å; C8-F12 WeakPolarHBondContact O-CB 3.45Å; C8-F12 PolarHBondContact O-N 3.22Å
9S93.1Very high82.6Confident0 Ų065.7 Ų65.70%036%0.36CS..Hα-helixtrans-64.9-41179.774.20000112.5T5 F6 F12 F13 F381T5-S9 WeakPolarHBondContact O-CB 3.4Å; T5-S9 PolarHBondContact O-N 3.27Å; T5-S9 PolarHBondContact O-OG 3.25Å; F6-S9 PolarHBondContact O-OG 3.42Å; S9-F12 PolarHBondContact O-N 3.5Å; S9-F13 WeakPolarHBondContact O-CD2 3.31Å; S9-F13 PolarHBondContact O-N 3.35Å; S9-F381 VanDerWaalsContact OG-CD2 3.28Å; S9-F381 WeakPolarHBondContact OG-CD2 3.37Å
10T89.8Confident80.6Confident47 Ų4765 Ų6529%0.28836%0.36SS..Hα-helixtrans-63.7-43.2176.2-59.70000111.2F6 A7 C8 R14F6-T10 WeakPolarHBondContact O-CB 3.48Å; F6-T10 PolarHBondContact O-N 3.09Å; F6-T10 PolarHBondContact O-OG1 3.43Å; A7-T10 PolarHBondContact O-N 3.24Å; C8-T10 PolarHBondContact O-N 3.3Å; T10-R14 WeakPolarHBondContact O-CB 3.38Å; T10-R14 PolarHBondContact O-N 2.99Å; T10-R14 VanDerWaalsContact O-N 3.08Å
11A89.2Confident79.2Confident36 Ų3668 Ų6830%0.29837%0.371SS..Hα-helixtrans-63-48.6176.600000111.4A7 C8 F13 R14 D15A7-A11 WeakPolarHBondContact O-CB 3.24Å; A7-A11 PolarHBondContact O-N 3.1Å; C8-A11 PolarHBondContact O-N 3.21Å; A11-F13 PolarHBondContact O-N 3.46Å; A11-R14 PolarHBondContact O-N 2.93Å; A11-D15 PolarHBondContact O-N 3.31Å
12F89.3Confident76.7Confident74 Ų7470.7 Ų70.733%0.32540%0.398SS..Hα-helixtrans-52.9-53177.5-178.8-90.5000111.3C8 S9 R14 D15 Y16 I51C8-F12 WeakPolarHBondContact O-CB 3.45Å; C8-F12 PolarHBondContact O-N 3.22Å; S9-F12 PolarHBondContact O-N 3.5Å; F12-R14 PolarHBondContact O-N 2.78Å; F12-D15 PolarHBondContact O-N 3.38Å; F12-Y16 AromaticContact CE1-CD2 3.7Å; F12-Y16 HydrophobicContact CE1-CD2 3.7Å; F12-Y16 HydrophobicContact CE1-CE2 4.18Å; F12-Y16 HydrophobicContact CE1-CG 4.12Å; F12-Y16 AromaticContact CZ-CD2 3.77Å; F12-Y16 HydrophobicContact CZ-CD2 3.77Å; F12-Y16 HydrophobicContact CZ-CE2 4.07Å; F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 3.04Å; F12-I51 HydrophobicContact CB-CG2 4.14Å; F12-I51 HydrophobicContact CD1-CG2 3.48Å; F12-I51 VanDerWaalsContact CD1-CG2 3.48Å; F12-I51 HydrophobicContact CD2-CG2 3.43Å; F12-I51 VanDerWaalsContact CD2-CG2 3.43Å; F12-I51 HydrophobicContact CE1-CG2 3.61Å; F12-I51 HydrophobicContact CE2-CG2 3.55Å; F12-I51 HydrophobicContact CG-CG2 3.39Å; F12-I51 HydrophobicContact CZ-CG2 3.63Å
13F87.4Confident74.5Confident16 Ų1670.1 Ų70.17%0.0740%0.403CS..Hα-helixtrans-80.1-12.2-173.8-79-64.5000116.1S9 A11 Y16 I51 C289 F381 R385 K388S9-F13 WeakPolarHBondContact O-CD2 3.31Å; S9-F13 PolarHBondContact O-N 3.35Å; A11-F13 PolarHBondContact O-N 3.46Å; F13-Y16 HydrophobicContact CD1-CD1 4.28Å; F13-Y16 HydrophobicContact CD1-CG 4.42Å; F13-Y16 HydrophobicContact CE1-CD1 4.45Å; F13-I51 HydrophobicContact CE2-CG1 4.34Å; F13-C289 HydrophobicContact CZ-CB 4.3Å; F13-C289 WeakPolarHBondContact CZ-O 3.4Å; F13-F381 AromaticContact CD2-CE2 3.72Å; F13-F381 HydrophobicContact CD2-CE2 3.72Å; F13-F381 HydrophobicContact CD2-CZ 4Å; F13-F381 AromaticContact CE2-CE2 3.9Å; F13-F381 HydrophobicContact CE2-CE2 3.9Å; F13-F381 AromaticContact CE2-CZ 3.7Å; F13-F381 HydrophobicContact CE2-CZ 3.7Å; F13-R385 VanDerWaalsContact CD1-NH1 3.34Å; F13-R385 VanDerWaalsContact CD1-NH2 3.33Å; F13-K388 PolarHBondContact O-NZ 3.11Å
14R82.4Confident72.2Confident176 Ų17663.1 Ų63.166%0.66439%0.386SS*.Hα-helixtrans-71.6-43.2168.5-178.6-173.363.9-145.5-9.1110.4T10 A11 F12T10-R14 WeakPolarHBondContact O-CB 3.38Å; T10-R14 PolarHBondContact O-N 2.99Å; T10-R14 VanDerWaalsContact O-N 3.08Å; A11-R14 PolarHBondContact O-N 2.93Å; F12-R14 PolarHBondContact O-N 2.78Å
15D72.7Confident70Confident117 Ų11763.1 Ų63.163%0.62638%0.381SS*.Hα-helixtrans-89.7-14.2-174.6-53.8-20.1000111.3A11 F12A11-D15 PolarHBondContact O-N 3.31Å; F12-D15 PolarHBondContact O-N 3.38Å
16Y65Low68Low62 Ų6264.4 Ų64.424%0.24339%0.388CS..  trans-77116.1176.1-167.6-94.3000113.2F12 F13 K388F12-Y16 AromaticContact CE1-CD2 3.7Å; F12-Y16 HydrophobicContact CE1-CD2 3.7Å; F12-Y16 HydrophobicContact CE1-CE2 4.18Å; F12-Y16 HydrophobicContact CE1-CG 4.12Å; F12-Y16 AromaticContact CZ-CD2 3.77Å; F12-Y16 HydrophobicContact CZ-CD2 3.77Å; F12-Y16 HydrophobicContact CZ-CE2 4.07Å; F12-Y16 WeakPolarHBondContact O-CB 3.41Å; F12-Y16 PolarHBondContact O-N 3.04Å; F13-Y16 HydrophobicContact CD1-CD1 4.28Å; F13-Y16 HydrophobicContact CD1-CG 4.42Å; F13-Y16 HydrophobicContact CE1-CD1 4.45Å; Y16-K388 PolarHBondContact O-NZ 2.79Å
17S57Low65.7Low55 Ų5568.3 Ų68.339%0.38542%0.415SS..  trans-88.5133.916375.40000109.6S19 S20S17-S19 PolarHBondContact O-N 2.98Å; S17-S19 VanDerWaalsContact O-N 3.08Å; S17-S19 PolarHBondContact OG-OG 3.33Å; S17-S20 PolarHBondContact O-N 3.43Å; S17-S20 PolarHBondContact O-OG 3.41Å; S17-S20 PolarHBondContact OG-N 3.48Å; S17-S20 PolarHBondContact OG-OG 3.02Å
18A51.4Low63.8Low42 Ų4270.9 Ų70.935%0.34743%0.425SS..THydrogen-bonded Turntrans-60.3-21.8176.600000112.2H21A18-H21 PolarHBondContact O-CE1 3.32Å; A18-H21 PolarHBondContact O-ND1 3.17Å
19S42.9Very low62.6Low104 Ų10470.2 Ų70.273%0.72743%0.428SS*.THydrogen-bonded Turntrans-76.8-13.4176.755.70000115S17 H21S17-S19 PolarHBondContact O-N 2.98Å; S17-S19 VanDerWaalsContact O-N 3.08Å; S17-S19 PolarHBondContact OG-OG 3.33Å; S19-H21 VanDerWaalsContact C-N 3.31Å; S19-H21 PolarHBondContact O-N 3.26Å; S19-H21 VanDerWaalsContact O-N 3.16Å
20S43.3Very low62.1Low51 Ų5175.8 Ų75.836%0.35745%0.454SS..  trans-90.368177.659.30000110.5S17 A22S17-S20 PolarHBondContact O-N 3.43Å; S17-S20 PolarHBondContact O-OG 3.41Å; S17-S20 PolarHBondContact OG-N 3.48Å; S17-S20 PolarHBondContact OG-OG 3.02Å; S20-A22 PolarHBondContact O-N 3.02Å
21H50.1Low62.3Low127 Ų12774.5 Ų74.559%0.58845%0.446SS*.  trans-67.827.7167.2-72.330.3000112.4A18 S19 A23A18-H21 PolarHBondContact O-CE1 3.32Å; A18-H21 PolarHBondContact O-ND1 3.17Å; S19-H21 VanDerWaalsContact C-N 3.31Å; S19-H21 PolarHBondContact O-N 3.26Å; S19-H21 VanDerWaalsContact O-N 3.16Å; H21-A23 PolarHBondContact O-N 2.95Å
22A39.3Very low62.6Low87 Ų8775.9 Ų75.972%0.71945%0.448SS*.  trans-72.198.3179.400000108.4S20 S24S20-A22 PolarHBondContact O-N 3.02Å; A22-S24 PolarHBondContact O-N 2.93Å
23A45.2Very low63Low56 Ų5677.1 Ų77.146%0.46345%0.454SS..  trans-20.3105.4164.500000112.2H21 C25H21-A23 PolarHBondContact O-N 2.95Å; A23-C25 PolarHBondContact O-N 3.25Å
24S46.2Very low63.4Low64 Ų6477.2 Ų77.245%0.44846%0.455SS..  trans-73.685.7151.1730000105.5A22 L26A22-S24 PolarHBondContact O-N 2.93Å; S24-L26 PolarHBondContact O-N 3.44Å
25C47.4Very low63.9Low72 Ų7273.7 Ų73.749%0.48645%0.446SS..  trans-47.5130.9165.9-71.30000107.3A23 P27A23-C25 PolarHBondContact O-N 3.25Å; C25-P27 WeakPolarHBondContact O-CD 3.44Å
26L53.5Low64.5Low28 Ų2873.2 Ų73.215%0.14744%0.438CS..  trans-57.7115.8164.6-78.7175.7000106.3S24 T28 R54 P55 V252 W268S24-L26 PolarHBondContact O-N 3.44Å; L26-T28 PolarHBondContact O-N 2.65Å; L26-R54 HydrophobicContact CD2-CB 4.35Å; L26-R54 HydrophobicContact CD2-CG 3.94Å; L26-P55 HydrophobicContact CD1-CG 4.05Å; L26-V252 HydrophobicContact CD1-CG2 3.88Å; L26-W268 HydrophobicContact CD1-CH2 3.52Å; L26-W268 HydrophobicContact CD1-CZ2 4.39Å; L26-W268 HydrophobicContact CD1-CZ3 4.3Å; L26-W268 HydrophobicContact CG-CH2 3.9Å; L26-W268 HydrophobicContact CG-CZ2 4.42Å
27P47.8Very low65.1Low108 Ų10873.1 Ų73.170%0.70144%0.444SS*.THydrogen-bonded Turntrans-62.4-14.1-172.3-23.934.8000113.7C25C25-P27 WeakPolarHBondContact O-CD 3.44Å
28T54.3Low66.3Low112 Ų11278.2 Ų78.269%0.68746%0.462SS*.THydrogen-bonded Turntrans-137.7-1.3-170.5540000115L26 H30L26-T28 PolarHBondContact O-N 2.65Å; T28-H30 PolarHBondContact O-N 2.95Å; T28-H30 WeakPolarHBondContact OG1-CB 3.42Å
29G67.5Low68Low41 Ų4180.3 Ų80.342%0.42347%0.473SS..  trans60.18.8-171.100000114.5
30H82.8Confident70.5Confident117 Ų11776.2 Ų76.254%0.54244%0.443SS..  trans-80.3136.3179.7-173.165.7000110.5T28 D32T28-H30 PolarHBondContact O-N 2.95Å; T28-H30 WeakPolarHBondContact OG1-CB 3.42Å; H30-D32 IonicContact CD2-OD1 3.19Å; H30-D32 PolarHBondContact CD2-OD1 2.79Å; H30-D32 VanDerWaalsContact CD2-OD1 3.31Å; H30-D32 IonicContact NE2-OD1 2.8Å
31V93.7Very high72.9Confident20 Ų2077 Ų7712%0.12145%0.446CS..  trans-111.6121.3173.4-176.90000107.7P55 I57 V252 I254V31-P55 HydrophobicContact CG1-CB 4.31Å; V31-P55 HydrophobicContact CG1-CG 4.48Å; V31-P55 HydrophobicContact CG2-CG 4.16Å; V31-I57 HydrophobicContact CG1-CD1 4.12Å; V31-I57 HydrophobicContact CG1-CG1 3.87Å; V31-V252 HydrophobicContact CG2-CG1 3.28Å; V31-I254 HydrophobicContact CB-CD1 4.5Å; V31-I254 HydrophobicContact CB-CG1 4.43Å; V31-I254 HydrophobicContact CG1-CD1 4Å; V31-I254 HydrophobicContact CG1-CG1 4.39Å; V31-I254 HydrophobicContact CG2-CD1 4.02Å; V31-I254 HydrophobicContact CG2-CG1 3.92Å
32D95.6Very high75Confident64 Ų6471.8 Ų71.834%0.34242%0.421SS..EExtended strand (participates in β ladder)trans-68.6141.4-177.4-64.2-24.9000111.1H30 Y49 C56 I57H30-D32 IonicContact CD2-OD1 3.19Å; H30-D32 PolarHBondContact CD2-OD1 2.79Å; H30-D32 VanDerWaalsContact CD2-OD1 3.31Å; H30-D32 IonicContact NE2-OD1 2.8Å; D32-Y49 HydrophobicContact CB-CE1 4Å; D32-Y49 VanDerWaalsContact CB-OH 3.23Å; D32-Y49 WeakPolarHBondContact CB-OH 3.41Å; D32-Y49 WeakPolarHBondContact OD2-CE1 3.41Å; D32-Y49 PolarHBondContact OD2-OH 3.3Å; D32-C56 WeakPolarHBondContact O-CA 3.46Å; D32-I57 PolarHBondContact O-N 3.44Å
33F97.1Very high77.7Confident101 Ų10168.1 Ų68.144%0.44339%0.39SS..EExtended strand (participates in β ladder)trans-109110.7176.5-170.4-93000110.7E35 I57 E260F33-E35 HydrophobicContact CD1-CB 4.4Å; F33-E35 HydrophobicContact CE1-CB 4.39Å; F33-E35 HydrophobicContact CE1-CG 4.35Å; F33-E35 PolarHBondContact O-N 3.36Å; F33-I57 CarbonylContact C-O 3.58Å; F33-I57 HydrophobicContact CD2-CB 3.85Å; F33-I57 HydrophobicContact CD2-CG2 3.73Å; F33-I57 HydrophobicContact CE2-CB 4.36Å; F33-I57 HydrophobicContact CE2-CG2 3.72Å; F33-E260 HydrophobicContact CE2-CG 4.48Å; F33-E260 WeakPolarHBondContact CE2-OE1 3.32Å
34I97Very high80.1Confident18 Ų1867.1 Ų67.19%0.09238%0.377CS..EExtended strand (participates in β ladder)trans-87.2101.1-178.3-49.8-53.7000109.2F40 Y49 C56 I57 F58 S59 F62I34-F40 HydrophobicContact CD1-CD2 4.35Å; I34-F40 HydrophobicContact CD1-CE2 4.03Å; I34-F40 HydrophobicContact CD1-CZ 4.11Å; I34-F40 HydrophobicContact CG1-CE1 4.22Å; I34-F40 HydrophobicContact CG1-CZ 4.23Å; I34-F40 HydrophobicContact CG2-CB 3.77Å; I34-F40 HydrophobicContact CG2-CD1 3.49Å; I34-F40 VanDerWaalsContact CG2-CD1 3.49Å; I34-F40 HydrophobicContact CG2-CD2 4.16Å; I34-F40 HydrophobicContact CG2-CE1 4.02Å; I34-F40 HydrophobicContact CG2-CG 3.54Å; I34-Y49 HydrophobicContact CD1-CE2 4.29Å; I34-C56 HydrophobicContact CG1-CB 4.48Å; I34-I57 WeakPolarHBondContact CB-O 3.43Å; I34-I57 PolarHBondContact N-O 3.48Å; I34-F58 HydrophobicContact CB-CD1 4.33Å; I34-F58 HydrophobicContact CG2-CD1 4.33Å; I34-S59 PolarHBondContact O-N 3.5Å; I34-F62 HydrophobicContact CG2-CE2 4.21Å; I34-F62 HydrophobicContact CG2-CZ 3.94Å
35E91.8Very high82.5Confident101 Ų10164.1 Ų64.147%0.47236%0.355SS..  trans-80.8-45-172.4-161.2-159.3146.100113.7F33 S59 K61F33-E35 HydrophobicContact CD1-CB 4.4Å; F33-E35 HydrophobicContact CE1-CB 4.39Å; F33-E35 HydrophobicContact CE1-CG 4.35Å; F33-E35 PolarHBondContact O-N 3.36Å; E35-S59 PolarHBondContact O-OG 3.04Å; E35-K61 IonicContact OE1-NZ 3.13Å; E35-K61 PolarHBondContact OE1-NZ 3.33Å
36K85.3Confident84.9Confident107 Ų10760.7 Ų60.747%0.46533%0.332SS..  trans-115.1132.2-166-64.8-178.7-174176.90112.4
37V77.6Confident86.8Confident60 Ų6063.3 Ų63.336%0.36434%0.34SS..SBendtrans-68.7-37.1179.5-177.30000110.8S39 K61 F62V37-S39 PolarHBondContact O-N 2.91Å; V37-K61 HydrophobicContact CG2-CB 4.31Å; V37-F62 HydrophobicContact CB-CE1 4.1Å; V37-F62 HydrophobicContact CB-CZ 4.21Å; V37-F62 HydrophobicContact CG1-CE1 4.15Å; V37-F62 HydrophobicContact CG2-CD1 3.85Å; V37-F62 HydrophobicContact CG2-CD2 4.06Å; V37-F62 HydrophobicContact CG2-CE1 3.71Å; V37-F62 HydrophobicContact CG2-CE2 3.95Å; V37-F62 HydrophobicContact CG2-CG 4.03Å; V37-F62 HydrophobicContact CG2-CZ 3.78Å
38E82.4Confident89Confident163 Ų16360.9 Ų60.976%0.76232%0.322SS*.THydrogen-bonded Turntrans-77.1-22.4-169.8-5380.4-17600113.4
39S87.2Confident91Very high85 Ų8556.3 Ų56.359%0.59429%0.292SS*.THydrogen-bonded Turntrans-103.3-3.8-176.663.20000114.1V37V37-S39 PolarHBondContact O-N 2.91Å
40F94.4Very high92.4Very high19 Ų1954.3 Ų54.38%0.08327%0.272CS..  trans-119107.7-175.8-172.4-114.9000110.3I34 D44 F45 Y49 F58 Y157I34-F40 HydrophobicContact CD1-CD2 4.35Å; I34-F40 HydrophobicContact CD1-CE2 4.03Å; I34-F40 HydrophobicContact CD1-CZ 4.11Å; I34-F40 HydrophobicContact CG1-CE1 4.22Å; I34-F40 HydrophobicContact CG1-CZ 4.23Å; I34-F40 HydrophobicContact CG2-CB 3.77Å; I34-F40 HydrophobicContact CG2-CD1 3.49Å; I34-F40 VanDerWaalsContact CG2-CD1 3.49Å; I34-F40 HydrophobicContact CG2-CD2 4.16Å; I34-F40 HydrophobicContact CG2-CE1 4.02Å; I34-F40 HydrophobicContact CG2-CG 3.54Å; F40-D44 HydrophobicContact CD2-CB 3.76Å; F40-D44 HydrophobicContact CE2-CB 3.6Å; F40-D44 HydrophobicContact CZ-CB 4.43Å; F40-F45 HydrophobicContact CE1-CB 3.66Å; F40-F45 HydrophobicContact CE1-CD2 4.09Å; F40-F45 HydrophobicContact CE1-CG 4.24Å; F40-F45 HydrophobicContact CZ-CB 3.65Å; F40-F45 HydrophobicContact CZ-CD2 4.05Å; F40-F45 HydrophobicContact CZ-CG 4.34Å; F40-Y49 AromaticContact CE2-CE2 3.89Å; F40-Y49 HydrophobicContact CE2-CE2 3.89Å; F40-Y49 AromaticContact CZ-CD2 3.96Å; F40-Y49 HydrophobicContact CZ-CD2 3.96Å; F40-Y49 AromaticContact CZ-CE2 3.68Å; F40-Y49 HydrophobicContact CZ-CE2 3.68Å; F40-F58 AromaticContact CD1-CE1 3.94Å; F40-F58 HydrophobicContact CD1-CE1 3.94Å; F40-F58 AromaticContact CE1-CE1 3.64Å; F40-F58 HydrophobicContact CE1-CE1 3.64Å; F40-F58 AromaticContact CE1-CZ 3.87Å; F40-F58 HydrophobicContact CE1-CZ 3.87Å; F40-Y157 HydrophobicContact CD1-CD1 4.14Å; F40-Y157 AromaticContact CD1-CE1 3.51Å; F40-Y157 HydrophobicContact CD1-CE1 3.51Å; F40-Y157 AromaticContact CD1-CZ 3.93Å; F40-Y157 HydrophobicContact CE1-CD1 4.04Å; F40-Y157 AromaticContact CE1-CE1 3.89Å; F40-Y157 HydrophobicContact CE1-CE1 3.89Å; F40-Y157 HydrophobicContact CG-CE1 4.48Å; F40-Y157 WeakPolarHBondContact O-CE1 3.4Å; F40-Y157 PolarHBondContact O-OH 2.96Å
41T94.3Very high92.8Very high68 Ų6849.4 Ų49.442%0.41725%0.249SC..  trans-90.5163.4-175.771.40000111.6S43 D44 F45T41-S43 PolarHBondContact O-N 3.41Å; T41-S43 PolarHBondContact OG1-N 3.34Å; T41-D44 WeakPolarHBondContact CB-OD2 3.36Å; T41-D44 PolarHBondContact N-OD2 2.89Å; T41-D44 PolarHBondContact O-N 2.61Å; T41-D44 VanDerWaalsContact O-N 3.13Å; T41-D44 VanDerWaalsContact OG1-CG 3.24Å; T41-D44 PolarHBondContact OG1-N 3.12Å; T41-D44 PolarHBondContact OG1-OD2 2.97Å; T41-F45 PolarHBondContact O-N 3.23Å; T41-F45 VanDerWaalsContact O-N 3.12Å
42Y95.1Very high92.8Very high17 Ų1749.9 Ų49.97%0.06725%0.253CS..Hα-helixtrans-53.2-39.6168.2178.6-89.7000112.1D44 F45 F46 V156 L374 H378Y42-D44 VanDerWaalsContact C-N 3.29Å; Y42-D44 PolarHBondContact O-N 2.89Å; Y42-F45 PolarHBondContact O-N 3.13Å; Y42-F46 HydrophobicContact CD1-CB 4.46Å; Y42-F46 HydrophobicContact CE1-CB 4.06Å; Y42-F46 AromaticContact CE1-CD2 3.73Å; Y42-F46 HydrophobicContact CE1-CD2 3.73Å; Y42-F46 HydrophobicContact CE1-CG 4.22Å; Y42-F46 AromaticContact CZ-CD2 3.8Å; Y42-F46 VanDerWaalsContact O-CB 3.32Å; Y42-F46 WeakPolarHBondContact O-CB 3.39Å; Y42-F46 PolarHBondContact O-N 3.27Å; Y42-F46 WeakPolarHBondContact OH-CD2 3.49Å; Y42-V156 HydrophobicContact CD2-CG2 4.46Å; Y42-V156 VanDerWaalsContact CD2-O 3.23Å; Y42-V156 WeakPolarHBondContact CD2-O 3.39Å; Y42-V156 WeakPolarHBondContact CE2-O 3.49Å; Y42-L374 HydrophobicContact CD1-CD2 3.95Å; Y42-L374 HydrophobicContact CD2-CD2 3.55Å; Y42-L374 HydrophobicContact CE1-CD2 3.96Å; Y42-L374 HydrophobicContact CE2-CD1 4.3Å; Y42-L374 HydrophobicContact CE2-CD2 3.56Å; Y42-L374 HydrophobicContact CG-CD2 3.75Å; Y42-H378 AromaticContact CE1-CD2 3.64Å; Y42-H378 AromaticContact CE1-NE2 3.98Å; Y42-H378 AromaticContact CZ-CD2 3.85Å; Y42-H378 AromaticContact CZ-NE2 3.74Å; Y42-H378 PolarHBondContact OH-CD2 3.43Å; Y42-H378 PolarHBondContact OH-NE2 3.4Å
43S95.8Very high92.7Very high9 Ų948.3 Ų48.36%0.06324%0.244CC..Hα-helixtrans-62.3-35.7179.3-75.40000112.8D2 T5 T41 R47D2-S43 PolarHBondContact N-OG 3.25Å; D2-S43 WeakPolarHBondContact OD2-CB 3.42Å; D2-S43 PolarHBondContact OD2-OG 2.82Å; T5-S43 WeakPolarHBondContact OG1-CB 3.32Å; T5-S43 PolarHBondContact OG1-O 3.13Å; T41-S43 PolarHBondContact O-N 3.41Å; T41-S43 PolarHBondContact OG1-N 3.34Å; S43-R47 WeakPolarHBondContact O-CB 3.42Å; S43-R47 PolarHBondContact O-N 3.44Å; S43-R47 VanDerWaalsContact O-N 3.13Å
44D95.8Very high92.6Very high36 Ų3647.9 Ų47.919%0.19324%0.24CC..Hα-helixtrans-68.9-48.6175.6-57.4-48000110.3F40 T41 Y42 F46 R47 D48F40-D44 HydrophobicContact CD2-CB 3.76Å; F40-D44 HydrophobicContact CE2-CB 3.6Å; F40-D44 HydrophobicContact CZ-CB 4.43Å; T41-D44 WeakPolarHBondContact CB-OD2 3.36Å; T41-D44 PolarHBondContact N-OD2 2.89Å; T41-D44 PolarHBondContact O-N 2.61Å; T41-D44 VanDerWaalsContact O-N 3.13Å; T41-D44 VanDerWaalsContact OG1-CG 3.24Å; T41-D44 PolarHBondContact OG1-N 3.12Å; T41-D44 PolarHBondContact OG1-OD2 2.97Å; Y42-D44 VanDerWaalsContact C-N 3.29Å; Y42-D44 PolarHBondContact O-N 2.89Å; D44-F46 VanDerWaalsContact C-N 3.27Å; D44-F46 PolarHBondContact O-N 3.31Å; D44-R47 PolarHBondContact O-N 3.35Å; D44-R47 IonicContact OD1-CZ 3.54Å; D44-R47 IonicContact OD1-NH1 3.36Å; D44-R47 PolarHBondContact OD1-NH1 3.01Å; D44-R47 IonicContact OD1-NH2 2.79Å; D44-R47 PolarHBondContact OD1-NH2 2.86Å; D44-D48 WeakPolarHBondContact O-CB 3.35Å; D44-D48 PolarHBondContact O-N 2.69Å
45F96.9Very high92.6Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-55.2-44.8175.8-176.9-119.8000112.6F40 T41 Y42 Y49 L50 F58 Y157 F158 F263F40-F45 HydrophobicContact CE1-CB 3.66Å; F40-F45 HydrophobicContact CE1-CD2 4.09Å; F40-F45 HydrophobicContact CE1-CG 4.24Å; F40-F45 HydrophobicContact CZ-CB 3.65Å; F40-F45 HydrophobicContact CZ-CD2 4.05Å; F40-F45 HydrophobicContact CZ-CG 4.34Å; T41-F45 PolarHBondContact O-N 3.23Å; T41-F45 VanDerWaalsContact O-N 3.12Å; Y42-F45 PolarHBondContact O-N 3.13Å; F45-Y49 AromaticContact CD2-CD2 3.86Å; F45-Y49 HydrophobicContact CD2-CD2 3.86Å; F45-Y49 HydrophobicContact CD2-CG 4.14Å; F45-Y49 HydrophobicContact CE2-CD2 4.47Å; F45-Y49 HydrophobicContact CE2-CG 4.31Å; F45-Y49 WeakPolarHBondContact O-CB 3.46Å; F45-Y49 PolarHBondContact O-N 3.42Å; F45-L50 HydrophobicContact CD1-CD1 3.85Å; F45-L50 HydrophobicContact CD1-CD2 4.27Å; F45-L50 HydrophobicContact CD1-CG 3.82Å; F45-L50 HydrophobicContact CE1-CD1 3.77Å; F45-L50 HydrophobicContact CE1-CD2 3.47Å; F45-L50 VanDerWaalsContact CE1-CD2 3.47Å; F45-L50 HydrophobicContact CE1-CG 3.53Å; F45-L50 HydrophobicContact CZ-CD2 3.69Å; F45-L50 HydrophobicContact CZ-CG 4.04Å; F45-L50 PolarHBondContact O-N 3.43Å; F45-L50 VanDerWaalsContact O-N 3.07Å; F45-F58 HydrophobicContact CD2-CE2 4.39Å; F45-F58 AromaticContact CD2-CZ 3.77Å; F45-F58 HydrophobicContact CD2-CZ 3.77Å; F45-F58 HydrophobicContact CE2-CE2 4.05Å; F45-F58 AromaticContact CE2-CZ 3.84Å; F45-F58 HydrophobicContact CE2-CZ 3.84Å; F45-F58 HydrophobicContact CG-CZ 4.39Å; F45-F58 HydrophobicContact CZ-CZ 4.48Å; F45-Y157 HydrophobicContact CB-CD1 3.74Å; F45-Y157 HydrophobicContact CD1-CD1 4.35Å; F45-Y157 HydrophobicContact CD1-CG 4.47Å; F45-Y157 WeakPolarHBondContact CD1-O 3.28Å; F45-Y157 WeakPolarHBondContact CE1-O 3.38Å; F45-Y157 HydrophobicContact CG-CD1 4.13Å; F45-F158 HydrophobicContact CE1-CD1 4.1Å; F45-F158 HydrophobicContact CE1-CE1 4.05Å; F45-F158 HydrophobicContact CE2-CE1 4.49Å; F45-F158 HydrophobicContact CZ-CD1 4.22Å; F45-F158 AromaticContact CZ-CE1 3.78Å; F45-F158 HydrophobicContact CZ-CE1 3.78Å; F45-F263 HydrophobicContact CE2-CB 4.5Å; F45-F263 AromaticContact CE2-CD1 3.82Å; F45-F263 HydrophobicContact CE2-CD1 3.82Å; F45-F263 HydrophobicContact CE2-CE1 4.18Å; F45-F263 HydrophobicContact CE2-CG 4.05Å; F45-F263 AromaticContact CZ-CD1 3.96Å; F45-F263 HydrophobicContact CZ-CD1 3.96Å; F45-F263 HydrophobicContact CZ-CD2 4.01Å; F45-F263 HydrophobicContact CZ-CE1 4.09Å; F45-F263 HydrophobicContact CZ-CE2 4.13Å; F45-F263 AromaticContact CZ-CG 3.91Å; F45-F263 HydrophobicContact CZ-CG 3.91Å; F45-F263 HydrophobicContact CZ-CZ 4.18Å
46F96.8Very high92.9Very high0 Ų042.4 Ų42.40%021%0.214CC..Iπ-helixtrans-63.5-46.6-178.8-168.4-82.7000112.8M1 T5 Y42 D44 L50 I51 C289 H378 F381M1-F46 HydrophobicContact CE-CD1 4.25Å; M1-F46 HydrophobicContact CE-CD2 4.16Å; M1-F46 HydrophobicContact CE-CE1 3.73Å; M1-F46 HydrophobicContact CE-CE2 3.65Å; M1-F46 HydrophobicContact CE-CG 4.43Å; M1-F46 HydrophobicContact CE-CZ 3.42Å; M1-F46 VanDerWaalsContact CE-CZ 3.42Å; T5-F46 HydrophobicContact CG2-CB 4.07Å; T5-F46 HydrophobicContact CG2-CD1 3.42Å; T5-F46 VanDerWaalsContact CG2-CD1 3.42Å; T5-F46 HydrophobicContact CG2-CE1 4.17Å; T5-F46 HydrophobicContact CG2-CG 4.01Å; Y42-F46 HydrophobicContact CD1-CB 4.46Å; Y42-F46 HydrophobicContact CE1-CB 4.06Å; Y42-F46 AromaticContact CE1-CD2 3.73Å; Y42-F46 HydrophobicContact CE1-CD2 3.73Å; Y42-F46 HydrophobicContact CE1-CG 4.22Å; Y42-F46 AromaticContact CZ-CD2 3.8Å; Y42-F46 VanDerWaalsContact O-CB 3.32Å; Y42-F46 WeakPolarHBondContact O-CB 3.39Å; Y42-F46 PolarHBondContact O-N 3.27Å; Y42-F46 WeakPolarHBondContact OH-CD2 3.49Å; D44-F46 VanDerWaalsContact C-N 3.27Å; D44-F46 PolarHBondContact O-N 3.31Å; F46-L50 HydrophobicContact CB-CD1 4.36Å; F46-L50 HydrophobicContact CD2-CD1 3.7Å; F46-L50 HydrophobicContact CE2-CD1 4.4Å; F46-L50 HydrophobicContact CG-CD1 4.33Å; F46-I51 HydrophobicContact CD1-CD1 3.63Å; F46-I51 HydrophobicContact CD1-CG1 4.05Å; F46-I51 HydrophobicContact CE1-CD1 3.39Å; F46-I51 HydrophobicContact CE1-CG1 3.74Å; F46-I51 HydrophobicContact CZ-CD1 4.48Å; F46-I51 HydrophobicContact CZ-CG1 4.46Å; F46-I51 PolarHBondContact O-N 2.97Å; F46-C289 WeakPolarHBondContact CZ-SG 3.44Å; F46-H378 AromaticContact CE2-NE2 3.8Å; F46-F381 HydrophobicContact CE2-CD1 4.49Å; F46-F381 HydrophobicContact CE2-CE1 4.16Å; F46-F381 AromaticContact CZ-CD1 3.96Å; F46-F381 HydrophobicContact CZ-CD1 3.96Å; F46-F381 AromaticContact CZ-CE1 3.55Å; F46-F381 HydrophobicContact CZ-CE1 3.55Å; F46-F381 HydrophobicContact CZ-CE2 4.32Å; F46-F381 AromaticContact CZ-CZ 3.75Å; F46-F381 HydrophobicContact CZ-CZ 3.75Å
47R94.9Very high93.5Very high83 Ų8338 Ų3831%0.31320%0.195SC..Iπ-helixtrans-73.8-40.4-176.7-179.1-172.361-114-7112.3S43 D44 P52S43-R47 WeakPolarHBondContact O-CB 3.42Å; S43-R47 PolarHBondContact O-N 3.44Å; S43-R47 VanDerWaalsContact O-N 3.13Å; D44-R47 PolarHBondContact O-N 3.35Å; D44-R47 IonicContact OD1-CZ 3.54Å; D44-R47 IonicContact OD1-NH1 3.36Å; D44-R47 PolarHBondContact OD1-NH1 3.01Å; D44-R47 IonicContact OD1-NH2 2.79Å; D44-R47 PolarHBondContact OD1-NH2 2.86Å; R47-P52 WeakPolarHBondContact O-CD 3.28Å; R47-P52 WeakPolarHBondContact O-CG 3.42Å
48D93.9Very high94.5Very high58 Ų5835.1 Ų35.131%0.3118%0.178SC..Iπ-helixtrans-96.3-21.6-166.7-56.8-26.6000112.3D44 P52D44-D48 WeakPolarHBondContact O-CB 3.35Å; D44-D48 PolarHBondContact O-N 2.69Å; D48-P52 WeakPolarHBondContact O-CG 3.46Å
49Y95.6Very high95.2Very high15 Ų1527.7 Ų27.76%0.05914%0.144CC..Iπ-helixtrans-128-46.8-175.9-54.7-81.6000114.9D32 I34 F40 F45 N53 R54 C56D32-Y49 HydrophobicContact CB-CE1 4Å; D32-Y49 VanDerWaalsContact CB-OH 3.23Å; D32-Y49 WeakPolarHBondContact CB-OH 3.41Å; D32-Y49 WeakPolarHBondContact OD2-CE1 3.41Å; D32-Y49 PolarHBondContact OD2-OH 3.3Å; I34-Y49 HydrophobicContact CD1-CE2 4.29Å; F40-Y49 AromaticContact CE2-CE2 3.89Å; F40-Y49 HydrophobicContact CE2-CE2 3.89Å; F40-Y49 AromaticContact CZ-CD2 3.96Å; F40-Y49 HydrophobicContact CZ-CD2 3.96Å; F40-Y49 AromaticContact CZ-CE2 3.68Å; F40-Y49 HydrophobicContact CZ-CE2 3.68Å; F45-Y49 AromaticContact CD2-CD2 3.86Å; F45-Y49 HydrophobicContact CD2-CD2 3.86Å; F45-Y49 HydrophobicContact CD2-CG 4.14Å; F45-Y49 HydrophobicContact CE2-CD2 4.47Å; F45-Y49 HydrophobicContact CE2-CG 4.31Å; F45-Y49 WeakPolarHBondContact O-CB 3.46Å; F45-Y49 PolarHBondContact O-N 3.42Å; Y49-N53 VanDerWaalsContact O-CA 3.32Å; Y49-N53 WeakPolarHBondContact O-CA 3.37Å; Y49-N53 PolarHBondContact O-N 3Å; Y49-R54 HydrophobicContact CD1-CB 4.27Å; Y49-R54 PolarHBondContact O-N 2.88Å; Y49-C56 HydrophobicContact CD1-CB 3.58Å; Y49-C56 HydrophobicContact CE1-CB 3.48Å; Y49-C56 VanDerWaalsContact CE1-CB 3.48Å; Y49-C56 HydrophobicContact CG-CB 4.25Å
50L96.1Very high95.7Very high0 Ų025.2 Ų25.20%013%0.128CC..Iπ-helixtrans-66.6-58.3-178.9-65.9-179.7000111.8F45 F46 N53 Y197 F263 W285F45-L50 HydrophobicContact CD1-CD1 3.85Å; F45-L50 HydrophobicContact CD1-CD2 4.27Å; F45-L50 HydrophobicContact CD1-CG 3.82Å; F45-L50 HydrophobicContact CE1-CD1 3.77Å; F45-L50 HydrophobicContact CE1-CD2 3.47Å; F45-L50 VanDerWaalsContact CE1-CD2 3.47Å; F45-L50 HydrophobicContact CE1-CG 3.53Å; F45-L50 HydrophobicContact CZ-CD2 3.69Å; F45-L50 HydrophobicContact CZ-CG 4.04Å; F45-L50 PolarHBondContact O-N 3.43Å; F45-L50 VanDerWaalsContact O-N 3.07Å; F46-L50 HydrophobicContact CB-CD1 4.36Å; F46-L50 HydrophobicContact CD2-CD1 3.7Å; F46-L50 HydrophobicContact CE2-CD1 4.4Å; F46-L50 HydrophobicContact CG-CD1 4.33Å; L50-N53 PolarHBondContact O-N 2.97Å; L50-Y197 HydrophobicContact CD2-CD2 4.1Å; L50-Y197 HydrophobicContact CD2-CE1 4.47Å; L50-Y197 HydrophobicContact CD2-CE2 3.84Å; L50-Y197 PolarHBondContact O-OH 2.5Å; L50-F263 HydrophobicContact CD2-CE1 4.39Å; L50-F263 HydrophobicContact CD2-CE2 4.07Å; L50-F263 HydrophobicContact CD2-CZ 3.67Å; L50-W285 HydrophobicContact CD2-CZ2 4.19Å
51I92.5Very high95.8Very high14 Ų1429 Ų297%0.07215%0.145CC..THydrogen-bonded Turntrans-60.4-50178.7-71.1164.7000111.9F12 F13 F46 N53F12-I51 HydrophobicContact CB-CG2 4.14Å; F12-I51 HydrophobicContact CD1-CG2 3.48Å; F12-I51 VanDerWaalsContact CD1-CG2 3.48Å; F12-I51 HydrophobicContact CD2-CG2 3.43Å; F12-I51 VanDerWaalsContact CD2-CG2 3.43Å; F12-I51 HydrophobicContact CE1-CG2 3.61Å; F12-I51 HydrophobicContact CE2-CG2 3.55Å; F12-I51 HydrophobicContact CG-CG2 3.39Å; F12-I51 HydrophobicContact CZ-CG2 3.63Å; F13-I51 HydrophobicContact CE2-CG1 4.34Å; F46-I51 HydrophobicContact CD1-CD1 3.63Å; F46-I51 HydrophobicContact CD1-CG1 4.05Å; F46-I51 HydrophobicContact CE1-CD1 3.39Å; F46-I51 HydrophobicContact CE1-CG1 3.74Å; F46-I51 HydrophobicContact CZ-CD1 4.48Å; F46-I51 HydrophobicContact CZ-CG1 4.46Å; F46-I51 PolarHBondContact O-N 2.97Å; I51-N53 PolarHBondContact O-N 2.87Å
52P92Very high95.9Very high30 Ų3026.7 Ų26.720%0.19513%0.129CC..THydrogen-bonded Turntrans-74.2-5.8-177.8-19.137000113.2R47 D48 R54R47-P52 WeakPolarHBondContact O-CD 3.28Å; R47-P52 WeakPolarHBondContact O-CG 3.42Å; D48-P52 WeakPolarHBondContact O-CG 3.46Å; P52-R54 HydrophobicContact CB-CG 4.04Å
53N94.4Very high96Very high30 Ų3025.9 Ų25.916%0.1613%0.126CC..THydrogen-bonded Turntrans58.451.8179.3-160.244.4000113.3Y49 L50 I51 Y197 P265 S266 W268Y49-N53 VanDerWaalsContact O-CA 3.32Å; Y49-N53 WeakPolarHBondContact O-CA 3.37Å; Y49-N53 PolarHBondContact O-N 3Å; L50-N53 PolarHBondContact O-N 2.97Å; I51-N53 PolarHBondContact O-N 2.87Å; N53-Y197 WeakPolarHBondContact OD1-CE1 3.42Å; N53-P265 VanDerWaalsContact C-CB 3.46Å; N53-P265 HydrophobicContact CB-CB 4.41Å; N53-P265 WeakPolarHBondContact O-CB 3.46Å; N53-P265 WeakPolarHBondContact OD1-CB 3.18Å; N53-S266 PolarHBondContact ND2-O 2.92Å; N53-S266 WeakPolarHBondContact OD1-CB 3.26Å; N53-S266 PolarHBondContact OD1-N 2.87Å; N53-W268 PolarHBondContact O-NE1 3.34Å
54R94.6Very high95.9Very high93 Ų9332.3 Ų32.335%0.35116%0.155SC..  trans-118.3139-172.8-68178.6-178175.6-0.3113.1L26 Y49 P52 F263L26-R54 HydrophobicContact CD2-CB 4.35Å; L26-R54 HydrophobicContact CD2-CG 3.94Å; Y49-R54 HydrophobicContact CD1-CB 4.27Å; Y49-R54 PolarHBondContact O-N 2.88Å; P52-R54 HydrophobicContact CB-CG 4.04Å; R54-F263 VanDerWaalsContact O-CD1 3.26Å; R54-F263 WeakPolarHBondContact O-CD1 3.44Å; R54-F263 WeakPolarHBondContact O-CE1 3.42Å
55P97Very high95.9Very high3 Ų333.3 Ų33.32%0.01917%0.173CC..  trans-71.5152.9179.330.9-35.1000110.9L26 V31 L211 F263 P265 W268L26-P55 HydrophobicContact CD1-CG 4.05Å; V31-P55 HydrophobicContact CG1-CB 4.31Å; V31-P55 HydrophobicContact CG1-CG 4.48Å; V31-P55 HydrophobicContact CG2-CG 4.16Å; P55-L211 HydrophobicContact CB-CD2 4.1Å; P55-L211 HydrophobicContact CG-CD2 4.49Å; P55-F263 WeakPolarHBondContact CA-O 3.39Å; P55-F263 WeakPolarHBondContact CB-O 3.3Å; P55-P265 HydrophobicContact CB-CG 4.09Å; P55-W268 HydrophobicContact CG-CH2 4.03Å; P55-W268 HydrophobicContact CG-CZ2 4.39Å; P55-W268 HydrophobicContact CG-CZ3 4.23Å
56C97.6Very high96Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-151.5167167.759.70000110.5D32 I34 Y49 F263D32-C56 WeakPolarHBondContact O-CA 3.46Å; I34-C56 HydrophobicContact CG1-CB 4.48Å; Y49-C56 HydrophobicContact CD1-CB 3.58Å; Y49-C56 HydrophobicContact CE1-CB 3.48Å; Y49-C56 VanDerWaalsContact CE1-CB 3.48Å; Y49-C56 HydrophobicContact CG-CB 4.25Å; C56-F263 PolarHBondContact O-N 3.18Å
57I98.4Very high96Very high15 Ų1533.8 Ų33.88%0.07718%0.175CC..EExtended strand (participates in β ladder)trans-119.7132.5178.7-54.1167.8000108.4V31 D32 F33 I34 I254 E260 I261 V262V31-I57 HydrophobicContact CG1-CD1 4.12Å; V31-I57 HydrophobicContact CG1-CG1 3.87Å; D32-I57 PolarHBondContact O-N 3.44Å; F33-I57 CarbonylContact C-O 3.58Å; F33-I57 HydrophobicContact CD2-CB 3.85Å; F33-I57 HydrophobicContact CD2-CG2 3.73Å; F33-I57 HydrophobicContact CE2-CB 4.36Å; F33-I57 HydrophobicContact CE2-CG2 3.72Å; I34-I57 WeakPolarHBondContact CB-O 3.43Å; I34-I57 PolarHBondContact N-O 3.48Å; I57-I254 HydrophobicContact CD1-CG2 3.51Å; I57-I254 HydrophobicContact CG1-CG2 4.12Å; I57-E260 HydrophobicContact CG2-CB 4.12Å; I57-I261 CarbonylContact C-O 3.54Å; I57-I261 WeakPolarHBondContact CA-O 3.32Å; I57-V262 HydrophobicContact CG1-CG2 4.35Å
58F98.5Very high96.2Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-99.1135.8170.5-63.2-108.6000109.1I34 F40 F45 F62 Y157 F158 E260 I261 F263I34-F58 HydrophobicContact CB-CD1 4.33Å; I34-F58 HydrophobicContact CG2-CD1 4.33Å; F40-F58 AromaticContact CD1-CE1 3.94Å; F40-F58 HydrophobicContact CD1-CE1 3.94Å; F40-F58 AromaticContact CE1-CE1 3.64Å; F40-F58 HydrophobicContact CE1-CE1 3.64Å; F40-F58 AromaticContact CE1-CZ 3.87Å; F40-F58 HydrophobicContact CE1-CZ 3.87Å; F45-F58 HydrophobicContact CD2-CE2 4.39Å; F45-F58 AromaticContact CD2-CZ 3.77Å; F45-F58 HydrophobicContact CD2-CZ 3.77Å; F45-F58 HydrophobicContact CE2-CE2 4.05Å; F45-F58 AromaticContact CE2-CZ 3.84Å; F45-F58 HydrophobicContact CE2-CZ 3.84Å; F45-F58 HydrophobicContact CG-CZ 4.39Å; F45-F58 HydrophobicContact CZ-CZ 4.48Å; F58-F62 HydrophobicContact CB-CB 4.36Å; F58-F62 HydrophobicContact CB-CD2 3.74Å; F58-F62 HydrophobicContact CB-CE2 4.16Å; F58-F62 HydrophobicContact CB-CG 4Å; F58-F62 AromaticContact CD1-CD1 3.85Å; F58-F62 HydrophobicContact CD1-CD1 3.85Å; F58-F62 HydrophobicContact CD1-CD2 4.11Å; F58-F62 AromaticContact CD1-CE1 3.73Å; F58-F62 HydrophobicContact CD1-CE1 3.73Å; F58-F62 AromaticContact CD1-CE2 3.98Å; F58-F62 HydrophobicContact CD1-CE2 3.98Å; F58-F62 HydrophobicContact CD1-CG 4.04Å; F58-F62 AromaticContact CD1-CZ 3.79Å; F58-F62 HydrophobicContact CD1-CZ 3.79Å; F58-F62 HydrophobicContact CE1-CE1 4.27Å; F58-F62 HydrophobicContact CE1-CZ 4.49Å; F58-F62 HydrophobicContact CG-CD2 4.46Å; F58-Y157 HydrophobicContact CD1-CD2 4.37Å; F58-Y157 HydrophobicContact CE1-CD1 4.18Å; F58-Y157 AromaticContact CE1-CD2 3.67Å; F58-Y157 HydrophobicContact CE1-CD2 3.67Å; F58-Y157 HydrophobicContact CE1-CE1 4.45Å; F58-Y157 HydrophobicContact CE1-CE2 4.02Å; F58-Y157 AromaticContact CE1-CG 3.78Å; F58-Y157 HydrophobicContact CE1-CG 3.78Å; F58-Y157 HydrophobicContact CZ-CD2 4.34Å; F58-Y157 HydrophobicContact CZ-CG 4.08Å; F58-F158 HydrophobicContact CD2-CZ 4Å; F58-F158 HydrophobicContact CE2-CE1 4.02Å; F58-F158 AromaticContact CE2-CZ 3.61Å; F58-F158 HydrophobicContact CE2-CZ 3.61Å; F58-F158 HydrophobicContact CZ-CE1 4.21Å; F58-F158 AromaticContact CZ-CZ 3.92Å; F58-F158 HydrophobicContact CZ-CZ 3.92Å; F58-E260 VanDerWaalsContact O-CA 3.29Å; F58-E260 WeakPolarHBondContact O-CA 3.33Å; F58-E260 WeakPolarHBondContact O-CB 3.35Å; F58-I261 HydrophobicContact CB-CB 4.05Å; F58-I261 HydrophobicContact CB-CG1 4.39Å; F58-I261 HydrophobicContact CD2-CB 4.44Å; F58-I261 PolarHBondContact N-O 3.49Å; F58-I261 PolarHBondContact O-N 2.87Å; F58-F263 HydrophobicContact CE2-CB 4.4Å
59S98.1Very high96.3Very high7 Ų730.3 Ų30.35%0.04916%0.158CC..  trans-63.3165.6179.7800000113I34 E35 K61 F62I34-S59 PolarHBondContact O-N 3.5Å; E35-S59 PolarHBondContact O-OG 3.04Å; S59-K61 PolarHBondContact O-N 3.41Å; S59-K61 PolarHBondContact OG-N 2.94Å; S59-F62 WeakPolarHBondContact O-CD2 3.49Å; S59-F62 PolarHBondContact O-N 3.05Å; S59-F62 VanDerWaalsContact O-N 3.16Å
60A97.3Very high96.4Very high32 Ų3235.6 Ų35.626%0.26418%0.178SC..G310 helixtrans-59.1-15.8177.100000115.1F62 T63 E64 R69 G259A60-F62 PolarHBondContact O-N 3.33Å; A60-T63 PolarHBondContact O-N 3.23Å; A60-T63 PolarHBondContact O-OG1 3.25Å; A60-E64 PolarHBondContact O-N 3.47Å; A60-R69 PolarHBondContact O-NH1 3.01Å; A60-G259 WeakPolarHBondContact CA-O 3.39Å
61K96.4Very high96.5Very high98 Ų9838 Ų3843%0.42619%0.19SC..G310 helixtrans-64-29.1177.2-63.6177.7-174.5161.60112.3E35 V37 S59 T63E35-K61 IonicContact OE1-NZ 3.13Å; E35-K61 PolarHBondContact OE1-NZ 3.33Å; V37-K61 HydrophobicContact CG2-CB 4.31Å; S59-K61 PolarHBondContact O-N 3.41Å; S59-K61 PolarHBondContact OG-N 2.94Å; K61-T63 PolarHBondContact O-N 3.47Å
62F96.1Very high96.8Very high20 Ų2037.5 Ų37.59%0.08819%0.187CC..G310 helixtrans-71.1-17.1179.8-70.9-94.1000113.4I34 V37 F58 S59 A60 Y157 I261I34-F62 HydrophobicContact CG2-CE2 4.21Å; I34-F62 HydrophobicContact CG2-CZ 3.94Å; V37-F62 HydrophobicContact CB-CE1 4.1Å; V37-F62 HydrophobicContact CB-CZ 4.21Å; V37-F62 HydrophobicContact CG1-CE1 4.15Å; V37-F62 HydrophobicContact CG2-CD1 3.85Å; V37-F62 HydrophobicContact CG2-CD2 4.06Å; V37-F62 HydrophobicContact CG2-CE1 3.71Å; V37-F62 HydrophobicContact CG2-CE2 3.95Å; V37-F62 HydrophobicContact CG2-CG 4.03Å; V37-F62 HydrophobicContact CG2-CZ 3.78Å; F58-F62 HydrophobicContact CB-CB 4.36Å; F58-F62 HydrophobicContact CB-CD2 3.74Å; F58-F62 HydrophobicContact CB-CE2 4.16Å; F58-F62 HydrophobicContact CB-CG 4Å; F58-F62 AromaticContact CD1-CD1 3.85Å; F58-F62 HydrophobicContact CD1-CD1 3.85Å; F58-F62 HydrophobicContact CD1-CD2 4.11Å; F58-F62 AromaticContact CD1-CE1 3.73Å; F58-F62 HydrophobicContact CD1-CE1 3.73Å; F58-F62 AromaticContact CD1-CE2 3.98Å; F58-F62 HydrophobicContact CD1-CE2 3.98Å; F58-F62 HydrophobicContact CD1-CG 4.04Å; F58-F62 AromaticContact CD1-CZ 3.79Å; F58-F62 HydrophobicContact CD1-CZ 3.79Å; F58-F62 HydrophobicContact CE1-CE1 4.27Å; F58-F62 HydrophobicContact CE1-CZ 4.49Å; F58-F62 HydrophobicContact CG-CD2 4.46Å; S59-F62 WeakPolarHBondContact O-CD2 3.49Å; S59-F62 PolarHBondContact O-N 3.05Å; S59-F62 VanDerWaalsContact O-N 3.16Å; A60-F62 PolarHBondContact O-N 3.33Å; F62-Y157 HydrophobicContact CD1-CD2 4.47Å; F62-Y157 AromaticContact CD1-CE2 3.77Å; F62-Y157 HydrophobicContact CD1-CE2 3.77Å; F62-Y157 HydrophobicContact CE1-CD2 4.38Å; F62-Y157 AromaticContact CE1-CE2 3.43Å; F62-Y157 HydrophobicContact CE1-CE2 3.43Å; F62-Y157 VanDerWaalsContact CE1-CE2 3.43Å; F62-Y157 AromaticContact CE1-CZ 3.81Å; F62-I261 HydrophobicContact CB-CD1 4.15Å
63T97Very high97.1Very high0 Ų037.1 Ų37.10%019%0.185CC..THydrogen-bonded Turntrans-116.7-5.7-178.766.40000113.5A60 K61 G65 W66 R69 A201 G259 I261A60-T63 PolarHBondContact O-N 3.23Å; A60-T63 PolarHBondContact O-OG1 3.25Å; K61-T63 PolarHBondContact O-N 3.47Å; T63-G65 PolarHBondContact O-N 2.98Å; T63-W66 HydrophobicContact CG2-CD2 4Å; T63-W66 HydrophobicContact CG2-CE3 3.92Å; T63-W66 HydrophobicContact CG2-CH2 3.64Å; T63-W66 HydrophobicContact CG2-CZ2 3.7Å; T63-W66 HydrophobicContact CG2-CZ3 3.76Å; T63-W66 VanDerWaalsContact O-CB 3.26Å; T63-W66 WeakPolarHBondContact O-CB 3.33Å; T63-W66 VanDerWaalsContact O-CG 3.27Å; T63-W66 PolarHBondContact O-N 3.08Å; T63-R69 WeakPolarHBondContact O-CG 3.17Å; T63-R69 PolarHBondContact OG1-NH1 3.42Å; T63-A201 HydrophobicContact CG2-CB 4.26Å; T63-G259 WeakPolarHBondContact CG2-O 3.28Å; T63-G259 PolarHBondContact OG1-O 2.84Å; T63-I261 HydrophobicContact CG2-CD1 3.6Å; T63-I261 HydrophobicContact CG2-CG1 3.55Å
64E94.8Very high97.2Very high145 Ų14537.7 Ų37.768%0.67819%0.189SC*.THydrogen-bonded Turntrans-53-36.2-173.6-174.2172.4-134.700113.3A60 W66A60-E64 PolarHBondContact O-N 3.47Å; E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 3.3Å
65G95.2Very high97.2Very high56 Ų5645 Ų4558%0.57722%0.217SC*.THydrogen-bonded Turntrans-79.63.3178.500000116T63 R70T63-G65 PolarHBondContact O-N 2.98Å; G65-R70 PolarHBondContact O-NH1 3.3Å
66W97.8Very high97.1Very high11 Ų1149.1 Ų49.14%0.04224%0.239CC..  trans-80.6142.8-175.6-66.52.6000113T63 E64 S68 R69 R70 Y152 T153 P155 W199 A201 I203 I261 I281T63-W66 HydrophobicContact CG2-CD2 4Å; T63-W66 HydrophobicContact CG2-CE3 3.92Å; T63-W66 HydrophobicContact CG2-CH2 3.64Å; T63-W66 HydrophobicContact CG2-CZ2 3.7Å; T63-W66 HydrophobicContact CG2-CZ3 3.76Å; T63-W66 VanDerWaalsContact O-CB 3.26Å; T63-W66 WeakPolarHBondContact O-CB 3.33Å; T63-W66 VanDerWaalsContact O-CG 3.27Å; T63-W66 PolarHBondContact O-N 3.08Å; E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 3.3Å; W66-S68 VanDerWaalsContact C-N 3.27Å; W66-S68 PolarHBondContact O-N 3.03Å; W66-R69 HydrophobicContact CB-CB 4.44Å; W66-R69 HydrophobicContact CB-CG 4.16Å; W66-R69 PolarHBondContact O-N 3.25Å; W66-R69 VanDerWaalsContact O-N 3.14Å; W66-R70 PolarHBondContact O-N 2.97Å; W66-Y152 VanDerWaalsContact CE3-CB 3.41Å; W66-Y152 HydrophobicContact CE3-CG 4.41Å; W66-Y152 HydrophobicContact CZ3-CG 4.38Å; W66-T153 PolarHBondContact NE1-O 3.31Å; W66-P155 HydrophobicContact CZ2-CG 3.96Å; W66-W199 AromaticContact CH2-CH2 3.8Å; W66-W199 HydrophobicContact CH2-CH2 3.8Å; W66-W199 AromaticContact CH2-CZ3 3.77Å; W66-W199 HydrophobicContact CH2-CZ3 3.77Å; W66-W199 HydrophobicContact CZ3-CH2 4.44Å; W66-W199 HydrophobicContact CZ3-CZ3 4.3Å; W66-A201 HydrophobicContact CH2-CB 3.63Å; W66-A201 HydrophobicContact CZ3-CB 3.39Å; W66-I203 HydrophobicContact CE3-CD1 3.83Å; W66-I203 HydrophobicContact CZ3-CD1 4.02Å; W66-I261 HydrophobicContact CH2-CD1 4.22Å; W66-I261 HydrophobicContact CZ2-CD1 4.3Å; W66-I281 HydrophobicContact CE3-CD1 4.46Å; W66-I281 HydrophobicContact CZ3-CD1 4.35Å
67G98.1Very high97.1Very high0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-62.7-33.1176.200000113.3R70 N71 D150 V151G67-R70 PolarHBondContact O-N 3.41Å; G67-N71 WeakPolarHBondContact O-CB 3.12Å; G67-N71 PolarHBondContact O-N 3.33Å; G67-N71 PolarHBondContact O-ND2 3.23Å; G67-D150 CarbonylContact C-O 3.59Å; G67-D150 VanDerWaalsContact CA-O 3.31Å; G67-D150 WeakPolarHBondContact CA-O 3.49Å; G67-D150 WeakPolarHBondContact CA-OD2 3.44Å; G67-V151 PolarHBondContact N-O 3.37Å
68S98.1Very high97Very high0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-61-42.5171.151.80000112.6W66 R70 N71 W72 V151W66-S68 VanDerWaalsContact C-N 3.27Å; W66-S68 PolarHBondContact O-N 3.03Å; S68-R70 VanDerWaalsContact C-N 3.28Å; S68-R70 PolarHBondContact O-N 3.1Å; S68-N71 PolarHBondContact O-N 3.41Å; S68-W72 VanDerWaalsContact O-CB 3.23Å; S68-W72 WeakPolarHBondContact O-CB 3.46Å; S68-W72 PolarHBondContact O-N 2.63Å; S68-V151 WeakPolarHBondContact CB-O 3.15Å; S68-V151 PolarHBondContact N-O 2.97Å; S68-V151 PolarHBondContact OG-O 2.85Å
69R97.5Very high97Very high67 Ų6754.1 Ų54.125%0.25327%0.271SS..Hα-helixtrans-63.9-33175.4-69.1-63.2-59.9-79.13.7112.5A60 T63 W66 I203 G259A60-R69 PolarHBondContact O-NH1 3.01Å; T63-R69 WeakPolarHBondContact O-CG 3.17Å; T63-R69 PolarHBondContact OG1-NH1 3.42Å; W66-R69 HydrophobicContact CB-CB 4.44Å; W66-R69 HydrophobicContact CB-CG 4.16Å; W66-R69 PolarHBondContact O-N 3.25Å; W66-R69 VanDerWaalsContact O-N 3.14Å; R69-I203 HydrophobicContact CG-CD1 4.49Å; R69-G259 VanDerWaalsContact CZ-CA 3.46Å
70R96.8Very high97Very high127 Ų12755.6 Ų55.648%0.47928%0.278SS..Hα-helixtrans-77.1-40.5177.6-69.6-171.9-70.2-85.31.9113.6G65 W66 G67 S68 D150G65-R70 PolarHBondContact O-NH1 3.3Å; W66-R70 PolarHBondContact O-N 2.97Å; G67-R70 PolarHBondContact O-N 3.41Å; S68-R70 VanDerWaalsContact C-N 3.28Å; S68-R70 PolarHBondContact O-N 3.1Å; R70-D150 IonicContact CZ-OD2 3.21Å; R70-D150 IonicContact NH2-OD1 3.23Å; R70-D150 IonicContact NH2-OD2 3.88Å; R70-D150 PolarHBondContact NH2-OD2 3.18Å
71N97.9Very high97.1Very high49 Ų4955.3 Ų55.326%0.26227%0.271SS..Hα-helixtrans-110.3-31.1-163.2-61.9-47.2000113.8G67 S68 V73 N80 Y83G67-N71 WeakPolarHBondContact O-CB 3.12Å; G67-N71 PolarHBondContact O-N 3.33Å; G67-N71 PolarHBondContact O-ND2 3.23Å; S68-N71 PolarHBondContact O-N 3.41Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-N80 WeakPolarHBondContact O-CB 3.33Å; N71-N80 PolarHBondContact O-ND2 3.04Å; N71-N80 VanDerWaalsContact O-ND2 3.09Å; N71-Y83 HydrophobicContact CB-CD1 4Å; N71-Y83 HydrophobicContact CB-CD2 4.26Å; N71-Y83 HydrophobicContact CB-CE1 3.58Å; N71-Y83 HydrophobicContact CB-CE2 3.85Å; N71-Y83 HydrophobicContact CB-CG 4.33Å; N71-Y83 VanDerWaalsContact CB-CZ 3.49Å; N71-Y83 WeakPolarHBondContact O-CD1 3.36Å
72W98.4Very high97.2Very high4 Ų456.1 Ų56.12%0.01528%0.28CS..SBendtrans-87.6-3.6-175.9-59.7-0.5000113.1S68 N80 Y83 L84 F88 L142 V151 V178 M180 I203 V279 I281S68-W72 VanDerWaalsContact O-CB 3.23Å; S68-W72 WeakPolarHBondContact O-CB 3.46Å; S68-W72 PolarHBondContact O-N 2.63Å; W72-N80 PolarHBondContact O-N 3.4Å; W72-Y83 AromaticContact CD1-CD1 3.89Å; W72-Y83 AromaticContact CD1-CE1 3.67Å; W72-Y83 AromaticContact NE1-CE1 3.91Å; W72-L84 HydrophobicContact CB-CD2 4.25Å; W72-L84 HydrophobicContact CD2-CD2 4.07Å; W72-L84 HydrophobicContact CG-CD2 3.8Å; W72-F88 HydrophobicContact CZ2-CE2 4.26Å; W72-F88 HydrophobicContact CZ2-CZ 4.45Å; W72-L142 HydrophobicContact CH2-CD1 3.82Å; W72-L142 HydrophobicContact CZ2-CD1 3.86Å; W72-L142 HydrophobicContact CZ2-CD2 4.49Å; W72-V151 HydrophobicContact CH2-CG1 3.3Å; W72-V151 HydrophobicContact CH2-CG2 4.41Å; W72-V151 HydrophobicContact CZ2-CB 4.36Å; W72-V151 HydrophobicContact CZ2-CG1 3.51Å; W72-V151 HydrophobicContact CZ2-CG2 3.98Å; W72-V151 HydrophobicContact CZ3-CG1 4.01Å; W72-V178 HydrophobicContact CH2-CG1 4.21Å; W72-V178 HydrophobicContact CH2-CG2 3.93Å; W72-V178 HydrophobicContact CZ3-CG1 4.03Å; W72-V178 HydrophobicContact CZ3-CG2 4.3Å; W72-M180 HydrophobicContact CE3-CE 4.4Å; W72-M180 HydrophobicContact CZ3-CE 4.23Å; W72-I203 HydrophobicContact CB-CG2 4.44Å; W72-V279 HydrophobicContact CE3-CG1 3.64Å; W72-V279 HydrophobicContact CZ3-CG1 4.02Å; W72-I281 HydrophobicContact CH2-CD1 4.48Å; W72-I281 HydrophobicContact CZ3-CD1 4.08Å; W72-I281 HydrophobicContact CZ3-CG1 4.1Å
73V98Very high97.3Very high23 Ų2357.2 Ų57.214%0.13928%0.284CS..BIsolated β-bridgetrans-123.2137.4-176.8-165.10000109.2N71 K78 I203 C204N71-V73 VanDerWaalsContact C-N 3.31Å; V73-K78 CarbonylContact C-O 3.56Å; V73-K78 VanDerWaalsContact CA-O 3.31Å; V73-K78 WeakPolarHBondContact CA-O 3.44Å; V73-I203 HydrophobicContact CG2-CG2 3.59Å; V73-C204 HydrophobicContact CG1-CB 3.86Å; V73-C204 HydrophobicContact CG2-CB 3.87Å
74T97.8Very high97.3Very high42 Ų4257.2 Ų57.226%0.25828%0.284SS..  trans-78.8167.8172.654.20000111D76 G77 K78 N80T74-D76 WeakPolarHBondContact CB-OD1 3.42Å; T74-D76 PolarHBondContact O-N 3.44Å; T74-D76 VanDerWaalsContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.18Å; T74-G77 PolarHBondContact O-N 2.93Å; T74-K78 PolarHBondContact N-O 3.37Å; T74-K78 PolarHBondContact OG1-N 3.49Å; T74-K78 VanDerWaalsContact OG1-N 3.1Å; T74-K78 PolarHBondContact OG1-O 2.91Å; T74-N80 HydrophobicContact CG2-CB 3.9Å
75W95.1Very high97.5Very high246 Ų24652.3 Ų52.393%0.93226%0.262SS*.THydrogen-bonded Turntrans-60.6-24.8-179.867.1-91.2000113.8
76D94.9Very high97.6Very high90 Ų9057.2 Ų57.248%0.48127%0.27SS..THydrogen-bonded Turntrans-92.910.4176.166.6-34.2000113.3T74T74-D76 WeakPolarHBondContact CB-OD1 3.42Å; T74-D76 PolarHBondContact O-N 3.44Å; T74-D76 VanDerWaalsContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.18Å
77G95.7Very high97.6Very high35 Ų3560.9 Ų60.936%0.36129%0.286SS..SBendtrans8217171.600000115.1T74T74-G77 PolarHBondContact O-N 2.93Å
78K97.6Very high97.6Very high76 Ų7661 Ų6133%0.3329%0.287SS..SBendtrans-101.3163.3179.1-61.1-58.7-179.8-172.50111.8V73 T74 N80 E276V73-K78 CarbonylContact C-O 3.56Å; V73-K78 VanDerWaalsContact CA-O 3.31Å; V73-K78 WeakPolarHBondContact CA-O 3.44Å; T74-K78 PolarHBondContact N-O 3.37Å; T74-K78 PolarHBondContact OG1-N 3.49Å; T74-K78 VanDerWaalsContact OG1-N 3.1Å; T74-K78 PolarHBondContact OG1-O 2.91Å; K78-N80 PolarHBondContact O-N 2.9Å; K78-E276 IonicContact NZ-OE2 2.74Å; K78-E276 PolarHBondContact NZ-OE2 3.45Å
79P98.4Very high97.6Very high8 Ų861.4 Ų61.45%0.05229%0.291CS..BIsolated β-bridgetrans-57.6127.8174.3-2433.2000111.8F81 W120 D277 V279P79-F81 VanDerWaalsContact C-N 3.3Å; P79-F81 HydrophobicContact CB-CD1 4.03Å; P79-F81 HydrophobicContact CB-CE1 3.63Å; P79-F81 HydrophobicContact CB-CZ 4.03Å; P79-F81 HydrophobicContact CG-CE1 4.32Å; P79-F81 HydrophobicContact CG-CZ 4.36Å; P79-F81 PolarHBondContact O-N 3.21Å; P79-W120 HydrophobicContact CG-CH2 4.12Å; P79-W120 HydrophobicContact CG-CZ2 4.08Å; P79-D277 HydrophobicContact CG-CB 4.13Å; P79-V279 HydrophobicContact CB-CG2 4.14Å; P79-V279 HydrophobicContact CG-CG2 4.19Å
80N98.6Very high97.6Very high39 Ų3964.1 Ų64.121%0.20931%0.306CS..  trans-80.177.9175.7-171.9-9.5000110.5N71 W72 T74 K78 D82 Y83 L84N71-N80 WeakPolarHBondContact O-CB 3.33Å; N71-N80 PolarHBondContact O-ND2 3.04Å; N71-N80 VanDerWaalsContact O-ND2 3.09Å; W72-N80 PolarHBondContact O-N 3.4Å; T74-N80 HydrophobicContact CG2-CB 3.9Å; K78-N80 PolarHBondContact O-N 2.9Å; N80-D82 PolarHBondContact O-N 2.78Å; N80-Y83 VanDerWaalsContact CG-CB 3.48Å; N80-Y83 WeakPolarHBondContact ND2-CB 3.26Å; N80-Y83 PolarHBondContact O-N 2.97Å; N80-Y83 PolarHBondContact OD1-N 3.15Å; N80-L84 WeakPolarHBondContact O-CB 3.36Å; N80-L84 VanDerWaalsContact O-CG 3.29Å; N80-L84 WeakPolarHBondContact O-CG 3.2Å; N80-L84 PolarHBondContact O-N 3.49Å
81F98.6Very high97.7Very high26 Ų2658.7 Ų58.711%0.11429%0.289CS..Hα-helixtrans-59.3-32.8-177.1-66.3-41.6000113.7P79 L84 L85 I117 W120 K121 I124P79-F81 VanDerWaalsContact C-N 3.3Å; P79-F81 HydrophobicContact CB-CD1 4.03Å; P79-F81 HydrophobicContact CB-CE1 3.63Å; P79-F81 HydrophobicContact CB-CZ 4.03Å; P79-F81 HydrophobicContact CG-CE1 4.32Å; P79-F81 HydrophobicContact CG-CZ 4.36Å; P79-F81 PolarHBondContact O-N 3.21Å; F81-L84 PolarHBondContact O-N 3.31Å; F81-L85 VanDerWaalsContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CB 3.19Å; F81-L85 WeakPolarHBondContact O-CD1 3.49Å; F81-L85 WeakPolarHBondContact O-CG 3.23Å; F81-L85 PolarHBondContact O-N 3.37Å; F81-I117 HydrophobicContact CB-CG2 3.91Å; F81-I117 HydrophobicContact CD1-CD1 3.79Å; F81-I117 HydrophobicContact CD1-CG2 3.88Å; F81-I117 HydrophobicContact CE1-CD1 3.97Å; F81-I117 HydrophobicContact CG-CG2 3.92Å; F81-W120 AromaticContact CE1-CD2 3.76Å; F81-W120 HydrophobicContact CE1-CD2 3.76Å; F81-W120 AromaticContact CE1-CE3 3.61Å; F81-W120 HydrophobicContact CE1-CE3 3.61Å; F81-W120 HydrophobicContact CE1-CG 4.32Å; F81-W120 HydrophobicContact CE1-CH2 4.23Å; F81-W120 HydrophobicContact CE1-CZ2 4.38Å; F81-W120 AromaticContact CE1-CZ3 3.84Å; F81-W120 HydrophobicContact CE1-CZ3 3.84Å; F81-W120 AromaticContact CZ-CD2 3.66Å; F81-W120 HydrophobicContact CZ-CD2 3.66Å; F81-W120 AromaticContact CZ-CE2 3.8Å; F81-W120 HydrophobicContact CZ-CE3 4.03Å; F81-W120 AromaticContact CZ-CG 3.9Å; F81-W120 HydrophobicContact CZ-CG 3.9Å; F81-W120 HydrophobicContact CZ-CZ2 4.29Å; F81-W120 HydrophobicContact CZ-CZ3 4.46Å; F81-K121 VanDerWaalsContact CB-CE 3.41Å; F81-K121 HydrophobicContact CD2-CD 4.36Å; F81-K121 HydrophobicContact CD2-CG 3.83Å; F81-K121 HydrophobicContact CE2-CG 4.05Å; F81-I124 HydrophobicContact CE2-CD1 4.07Å; F81-I124 HydrophobicContact CZ-CD1 4.24Å
82D98.1Very high97.7Very high114 Ų11460.6 Ų60.661%0.6130%0.298SS*.Hα-helixtrans-71.7-42.8-177-64.1-17.8000111N80 Q86 K121N80-D82 PolarHBondContact O-N 2.78Å; D82-Q86 WeakPolarHBondContact O-CB 3.34Å; D82-Q86 PolarHBondContact O-N 3.32Å; D82-K121 IonicContact OD1-NZ 2.63Å; D82-K121 PolarHBondContact OD1-NZ 3.41Å
83Y98.2Very high97.7Very high44 Ų4460.4 Ų60.417%0.17330%0.297CS..Hα-helixtrans-62.1-47.4171.6180-89000111.7N71 W72 N80 L85 Q86 K87N71-Y83 HydrophobicContact CB-CD1 4Å; N71-Y83 HydrophobicContact CB-CD2 4.26Å; N71-Y83 HydrophobicContact CB-CE1 3.58Å; N71-Y83 HydrophobicContact CB-CE2 3.85Å; N71-Y83 HydrophobicContact CB-CG 4.33Å; N71-Y83 VanDerWaalsContact CB-CZ 3.49Å; N71-Y83 WeakPolarHBondContact O-CD1 3.36Å; W72-Y83 AromaticContact CD1-CD1 3.89Å; W72-Y83 AromaticContact CD1-CE1 3.67Å; W72-Y83 AromaticContact NE1-CE1 3.91Å; N80-Y83 VanDerWaalsContact CG-CB 3.48Å; N80-Y83 WeakPolarHBondContact ND2-CB 3.26Å; N80-Y83 PolarHBondContact O-N 2.97Å; N80-Y83 PolarHBondContact OD1-N 3.15Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 2.9Å; Y83-Q86 WeakPolarHBondContact O-CB 3.36Å; Y83-Q86 PolarHBondContact O-N 3.27Å; Y83-K87 HydrophobicContact CD1-CG 4.17Å; Y83-K87 HydrophobicContact CE1-CG 3.66Å; Y83-K87 HydrophobicContact CE2-CG 4.15Å; Y83-K87 WeakPolarHBondContact O-CG 3.33Å; Y83-K87 PolarHBondContact O-N 3.28Å; Y83-K87 WeakPolarHBondContact OH-CE 3.49Å
84L98.2Very high97.7Very high0 Ų059.9 Ų59.90%029%0.294CS..Hα-helixtrans-62.2-41.7-178.9-69.9172000111.7W72 N80 F81 K87 F88 F113 M180W72-L84 HydrophobicContact CB-CD2 4.25Å; W72-L84 HydrophobicContact CD2-CD2 4.07Å; W72-L84 HydrophobicContact CG-CD2 3.8Å; N80-L84 WeakPolarHBondContact O-CB 3.36Å; N80-L84 VanDerWaalsContact O-CG 3.29Å; N80-L84 WeakPolarHBondContact O-CG 3.2Å; N80-L84 PolarHBondContact O-N 3.49Å; F81-L84 PolarHBondContact O-N 3.31Å; L84-K87 PolarHBondContact O-N 3.32Å; L84-F88 HydrophobicContact CD2-CD2 4.06Å; L84-F88 HydrophobicContact CD2-CE2 4.06Å; L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.37Å; L84-F113 HydrophobicContact CB-CE1 3.85Å; L84-F113 HydrophobicContact CB-CZ 4.01Å; L84-M180 HydrophobicContact CD1-CE 4.43Å; L84-M180 HydrophobicContact CD1-SD 4.16Å; L84-M180 HydrophobicContact CD2-CE 4.02Å
85L98.3Very high97.7Very high42 Ų4258.2 Ų58.222%0.2228%0.284CS..Hα-helixtrans-64.3-42.5174.5-79.2169.7000112F81 Y83 K87 G89 K114 I117F81-L85 VanDerWaalsContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CB 3.19Å; F81-L85 WeakPolarHBondContact O-CD1 3.49Å; F81-L85 WeakPolarHBondContact O-CG 3.23Å; F81-L85 PolarHBondContact O-N 3.37Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 2.9Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.91Å; L85-G89 VanDerWaalsContact O-CA 3.27Å; L85-G89 WeakPolarHBondContact O-CA 3.21Å; L85-G89 PolarHBondContact O-N 3.44Å; L85-K114 HydrophobicContact CD2-CB 3.79Å; L85-I117 HydrophobicContact CD1-CG2 3.78Å; L85-I117 HydrophobicContact CD2-CB 3.89Å; L85-I117 HydrophobicContact CD2-CG1 4.15Å; L85-I117 HydrophobicContact CD2-CG2 4.04Å; L85-I117 HydrophobicContact CG-CB 4.23Å; L85-I117 HydrophobicContact CG-CG1 4.4Å; L85-I117 HydrophobicContact CG-CG2 3.87Å
86Q97.8Very high97.8Very high158 Ų15846.6 Ų46.674%0.73824%0.24SC*.Hα-helixtrans-61.1-39.4178-174.9-174.815.400111.8D82 Y83D82-Q86 WeakPolarHBondContact O-CB 3.34Å; D82-Q86 PolarHBondContact O-N 3.32Å; Y83-Q86 WeakPolarHBondContact O-CB 3.36Å; Y83-Q86 PolarHBondContact O-N 3.27Å
87K97.6Very high97.8Very high89 Ų8943.9 Ų43.939%0.38723%0.226SC..Hα-helixtrans-83.6-40.5-177.4-68.6-61.6-173.7172.50113.6Y83 L84 L85Y83-K87 HydrophobicContact CD1-CG 4.17Å; Y83-K87 HydrophobicContact CE1-CG 3.66Å; Y83-K87 HydrophobicContact CE2-CG 4.15Å; Y83-K87 WeakPolarHBondContact O-CG 3.33Å; Y83-K87 PolarHBondContact O-N 3.28Å; Y83-K87 WeakPolarHBondContact OH-CE 3.49Å; L84-K87 PolarHBondContact O-N 3.32Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.91Å
88F98.3Very high97.8Very high2 Ų242.4 Ų42.41%0.00921%0.21CC..Hα-helixtrans-1275.9-165.1-50.6-62.6000114.2W72 L84 E90 A91 F113 W140 L142 F146 Q149W72-F88 HydrophobicContact CZ2-CE2 4.26Å; W72-F88 HydrophobicContact CZ2-CZ 4.45Å; L84-F88 HydrophobicContact CD2-CD2 4.06Å; L84-F88 HydrophobicContact CD2-CE2 4.06Å; L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.37Å; F88-E90 PolarHBondContact O-N 3.31Å; F88-A91 HydrophobicContact CB-CB 4.46Å; F88-A91 WeakPolarHBondContact O-CB 3.45Å; F88-A91 PolarHBondContact O-N 3Å; F88-F113 HydrophobicContact CB-CD1 3.85Å; F88-F113 HydrophobicContact CB-CE1 4.07Å; F88-F113 HydrophobicContact CB-CG 4.38Å; F88-F113 VanDerWaalsContact O-CB 3.27Å; F88-F113 WeakPolarHBondContact O-CB 3.45Å; F88-F113 WeakPolarHBondContact O-CD1 3.37Å; F88-W140 HydrophobicContact CB-CH2 3.74Å; F88-W140 HydrophobicContact CB-CZ2 4.39Å; F88-W140 HydrophobicContact CD1-CH2 4.08Å; F88-W140 HydrophobicContact CD1-CZ2 4.47Å; F88-W140 HydrophobicContact CD2-CH2 4.15Å; F88-W140 AromaticContact CG-CH2 3.74Å; F88-W140 HydrophobicContact CG-CH2 3.74Å; F88-W140 HydrophobicContact CG-CZ2 4.48Å; F88-L142 HydrophobicContact CE1-CD1 4.21Å; F88-L142 HydrophobicContact CE1-CD2 4.42Å; F88-L142 HydrophobicContact CE1-CG 4.4Å; F88-L142 HydrophobicContact CE2-CD1 4.15Å; F88-L142 HydrophobicContact CZ-CD1 3.95Å; F88-L142 HydrophobicContact CZ-CD2 4.34Å; F88-L142 HydrophobicContact CZ-CG 4.49Å; F88-F146 HydrophobicContact CD1-CD1 4.23Å; F88-F146 HydrophobicContact CD1-CD2 4.02Å; F88-F146 HydrophobicContact CD1-CE1 4.23Å; F88-F146 HydrophobicContact CD1-CE2 4.04Å; F88-F146 HydrophobicContact CD1-CG 4.13Å; F88-F146 HydrophobicContact CD1-CZ 4.14Å; F88-F146 HydrophobicContact CE1-CB 4.21Å; F88-F146 HydrophobicContact CE1-CD1 4.22Å; F88-F146 HydrophobicContact CE1-CD2 4.05Å; F88-F146 AromaticContact CE1-CG 3.89Å; F88-F146 HydrophobicContact CE1-CG 3.89Å; F88-Q149 HydrophobicContact CE1-CG 4Å; F88-Q149 HydrophobicContact CZ-CG 4.14Å
89G97.5Very high97.6Very high8 Ų844 Ų448%0.08222%0.222CC..THydrogen-bonded Turntrans-52.3-35.6-171.700000115.4L85 K114L85-G89 VanDerWaalsContact O-CA 3.27Å; L85-G89 WeakPolarHBondContact O-CA 3.21Å; L85-G89 PolarHBondContact O-N 3.44Å; G89-K114 VanDerWaalsContact O-CB 3.3Å; G89-K114 WeakPolarHBondContact O-CB 3.23Å; G89-K114 WeakPolarHBondContact O-CG 3.35Å; G89-K114 PolarHBondContact O-N 2.91Å
90E97.9Very high97.2Very high125 Ų12546.5 Ų46.558%0.58424%0.237SC*.THydrogen-bonded Turntrans-87.5-9.3179.9-60.9-54.3136.600114F88 H112 K114F88-E90 PolarHBondContact O-N 3.31Å; E90-H112 PolarHBondContact O-ND1 3.45Å; E90-K114 WeakPolarHBondContact OE1-CD 3.22Å; E90-K114 IonicContact OE1-NZ 2.83Å; E90-K114 PolarHBondContact OE1-NZ 3.32Å; E90-K114 IonicContact OE2-NZ 3.75Å; E90-K114 PolarHBondContact OE2-NZ 3.22Å
91A98.3Very high96.8Very high13 Ų1350.3 Ų50.311%0.10725%0.252CS..  trans-59.3142.7178.600000111F88 V93 H112 F113 W140 F146F88-A91 HydrophobicContact CB-CB 4.46Å; F88-A91 WeakPolarHBondContact O-CB 3.45Å; F88-A91 PolarHBondContact O-N 3Å; A91-V93 HydrophobicContact CB-CG1 4.27Å; A91-H112 CarbonylContact O-C 3.56Å; A91-H112 WeakPolarHBondContact O-CA 3.47Å; A91-F113 HydrophobicContact CB-CB 4.34Å; A91-F113 PolarHBondContact O-N 3.31Å; A91-W140 HydrophobicContact CB-CZ2 3.93Å; A91-F146 HydrophobicContact CB-CE2 4.1Å; A91-F146 HydrophobicContact CB-CZ 3.89Å
92I98.3Very high96.3Very high88 Ų8853.8 Ų53.845%0.45127%0.268SS..EExtended strand (participates in β ladder)trans-88.7126.8167.5-58.5-59.7000107.6Q110 I111 H112I92-Q110 HydrophobicContact CG2-CB 3.74Å; I92-Q110 HydrophobicContact CG2-CG 4.49Å; I92-I111 WeakPolarHBondContact CA-O 3.27Å; I92-H112 VanDerWaalsContact CD1-CE1 3.47Å; I92-H112 WeakPolarHBondContact CD1-CE1 3.49Å; I92-H112 WeakPolarHBondContact CD1-ND1 2.9Å
93V98.3Very high95.4Very high0 Ų058.6 Ų58.60%028%0.28CS..EExtended strand (participates in β ladder)trans-128143.2-172.7-64.80000112.1A91 V95 Q110 I111 F113 L137 W140A91-V93 HydrophobicContact CB-CG1 4.27Å; V93-V95 HydrophobicContact CG2-CG2 3.98Å; V93-Q110 VanDerWaalsContact C-OE1 3.23Å; V93-Q110 PolarHBondContact O-OE1 2.85Å; V93-I111 HydrophobicContact CG2-CG1 4.45Å; V93-I111 WeakPolarHBondContact CG2-O 3.37Å; V93-I111 PolarHBondContact N-O 3.26Å; V93-I111 PolarHBondContact O-N 2.7Å; V93-I111 VanDerWaalsContact O-N 3.08Å; V93-F113 HydrophobicContact CG1-CB 4.01Å; V93-F113 HydrophobicContact CG1-CD2 3.9Å; V93-F113 HydrophobicContact CG1-CG 4.37Å; V93-F113 HydrophobicContact CG2-CB 4.12Å; V93-F113 HydrophobicContact CG2-CD2 4.09Å; V93-L137 HydrophobicContact CB-CD1 3.82Å; V93-L137 HydrophobicContact CB-CG 4.19Å; V93-L137 HydrophobicContact CG1-CD1 4.08Å; V93-L137 HydrophobicContact CG2-CD1 3.86Å; V93-L137 HydrophobicContact CG2-CG 4.42Å; V93-W140 HydrophobicContact CG1-CD2 3.75Å; V93-W140 HydrophobicContact CG1-CE3 4.18Å; V93-W140 HydrophobicContact CG1-CG 4.16Å; V93-W140 HydrophobicContact CG1-CH2 4.25Å; V93-W140 HydrophobicContact CG1-CZ2 3.82Å; V93-W140 HydrophobicContact CG1-CZ3 4.39Å
94P98.1Very high94.5Very high13 Ų1359.6 Ų59.68%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-74.5122.4173.228.2-33.7000111.2K108 E109 L137 K138 W140P94-K108 HydrophobicContact CB-CD 4.26Å; P94-E109 WeakPolarHBondContact CA-O 3.22Å; P94-L137 WeakPolarHBondContact O-CA 3.49Å; P94-K138 WeakPolarHBondContact CB-O 3.17Å; P94-K138 WeakPolarHBondContact CG-O 3.16Å; P94-K138 PolarHBondContact O-N 3.37Å; P94-W140 HydrophobicContact CG-CB 4.14Å
95V98.2Very high93.8Very high7 Ų762.6 Ų62.64%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-126.6119.7-179.5178.40000110.2V93 K108 E109 I111 Y116 L135 L137V93-V95 HydrophobicContact CG2-CG2 3.98Å; V95-K108 WeakPolarHBondContact O-CA 3.38Å; V95-E109 PolarHBondContact N-O 3.36Å; V95-E109 PolarHBondContact O-N 3.38Å; V95-I111 HydrophobicContact CB-CD1 4.1Å; V95-I111 HydrophobicContact CB-CG1 4.16Å; V95-I111 HydrophobicContact CG1-CD1 4.32Å; V95-I111 HydrophobicContact CG2-CD1 3.81Å; V95-I111 HydrophobicContact CG2-CG1 3.67Å; V95-Y116 HydrophobicContact CB-CD2 4.39Å; V95-Y116 HydrophobicContact CG1-CD2 3.73Å; V95-Y116 HydrophobicContact CG1-CE2 3.72Å; V95-Y116 HydrophobicContact CG2-CD2 3.69Å; V95-Y116 HydrophobicContact CG2-CE2 4.19Å; V95-Y116 HydrophobicContact CG2-CG 3.96Å; V95-L135 HydrophobicContact CG1-CB 3.67Å; V95-L135 HydrophobicContact CG1-CD1 4.33Å; V95-L135 HydrophobicContact CG1-CG 4.43Å; V95-L137 HydrophobicContact CG2-CB 4.24Å
96A97.1Very high93.3Very high1 Ų160.9 Ų60.91%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-91.1144.2178.800000111.9N106 P107 K108 L135 Y136 K138A96-N106 HydrophobicContact CB-CB 3.82Å; A96-P107 VanDerWaalsContact CA-O 3.26Å; A96-P107 WeakPolarHBondContact CA-O 3.35Å; A96-K108 HydrophobicContact CB-CG 3.88Å; A96-L135 CarbonylContact O-C 3.23Å; A96-L135 VanDerWaalsContact O-CA 3.31Å; A96-L135 WeakPolarHBondContact O-CA 3.46Å; A96-Y136 PolarHBondContact N-O 2.95Å; A96-Y136 PolarHBondContact O-N 2.69Å; A96-K138 HydrophobicContact CB-CD 4.15Å; A96-K138 HydrophobicContact CB-CG 4.4Å
97N95.9Very high92.9Very high34 Ų3455.1 Ų55.118%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-94.4110.8167.7-168.9-19000110.8D99 V100 N106 P107 R132 L135N97-D99 PolarHBondContact O-N 3.05Å; N97-D99 PolarHBondContact OD1-N 3.08Å; N97-V100 HydrophobicContact CB-CB 4.33Å; N97-V100 HydrophobicContact CB-CG2 4.13Å; N97-V100 PolarHBondContact O-N 3.04Å; N97-N106 WeakPolarHBondContact O-CB 3.15Å; N97-N106 PolarHBondContact O-ND2 3.2Å; N97-P107 PolarHBondContact N-O 3.16Å; N97-R132 PolarHBondContact ND2-O 2.73Å; N97-L135 HydrophobicContact CB-CD2 3.85Å
98C95.4Very high92.7Very high4 Ų456.1 Ų56.13%0.02728%0.28CS..THydrogen-bonded Turntrans-65.4-20.1-178.1-73.40000113.9N106 C134 W186C98-N106 WeakPolarHBondContact CA-ND2 3.27Å; C98-N106 PolarHBondContact O-ND2 3.07Å; C98-C134 HydrophobicContact CB-CB 4.04Å; C98-C134 VanDerWaalsContact CB-O 3.25Å; C98-C134 WeakPolarHBondContact CB-O 3.38Å; C98-C134 PolarHBondContact N-O 3.34Å; C98-W186 PolarHBondContact O-NE1 3.07Å; C98-W186 PolarHBondContact SG-N 3.42Å; C98-W186 VanDerWaalsContact SG-N 3.43Å; C98-W186 PolarHBondContact SG-O 2.66Å; C98-W186 VanDerWaalsContact SG-O 3.36Å
99D92.1Very high92.5Very high108 Ų10862.4 Ų62.458%0.57831%0.31SS*.THydrogen-bonded Turntrans-90.5-5.8-178.2-58.5-28.7000112.6N97 G133 C134N97-D99 PolarHBondContact O-N 3.05Å; N97-D99 PolarHBondContact OD1-N 3.08Å; D99-G133 WeakPolarHBondContact OD2-CA 3.47Å; D99-C134 PolarHBondContact OD2-N 2.98Å
100V91.1Very high92.5Very high62 Ų6268.1 Ų68.138%0.37633%0.334SS..  trans-111133.7179.7-175.80000109.6N97 N106 P107N97-V100 HydrophobicContact CB-CB 4.33Å; N97-V100 HydrophobicContact CB-CG2 4.13Å; N97-V100 PolarHBondContact O-N 3.04Å; V100-N106 PolarHBondContact O-ND2 2.9Å; V100-N106 VanDerWaalsContact O-ND2 3.08Å; V100-P107 HydrophobicContact CB-CG 3.97Å; V100-P107 HydrophobicContact CG1-CG 3.66Å; V100-P107 WeakPolarHBondContact O-CD 3.41Å
101K90.6Very high92.5Very high118 Ų11863 Ų6351%0.51331%0.311SS..  trans-109.8121.9174.7177.9-177.7177.9178.60109.5N104 F229K101-N104 WeakPolarHBondContact CE-OD1 3.48Å; K101-N104 PolarHBondContact NZ-OD1 3.07Å; K101-F229 HydrophobicContact CB-CE1 4.1Å; K101-F229 HydrophobicContact CB-CE2 4.25Å; K101-F229 HydrophobicContact CB-CZ 3.93Å; K101-F229 HydrophobicContact CD-CB 4.07Å; K101-F229 HydrophobicContact CD-CD1 4Å; K101-F229 HydrophobicContact CD-CD2 4.04Å; K101-F229 HydrophobicContact CD-CE1 4.39Å; K101-F229 HydrophobicContact CD-CE2 4.42Å; K101-F229 HydrophobicContact CD-CG 3.78Å; K101-F229 HydrophobicContact CG-CD1 4.32Å; K101-F229 HydrophobicContact CG-CD2 3.92Å; K101-F229 HydrophobicContact CG-CE1 4.26Å; K101-F229 HydrophobicContact CG-CE2 3.85Å; K101-F229 HydrophobicContact CG-CG 4.13Å; K101-F229 HydrophobicContact CG-CZ 4.03Å
102E86.1Confident92.5Very high99 Ų9965.9 Ų65.946%0.46332%0.322SS..BIsolated β-bridgetrans-136.1122.6172.3-162.3179.9156.900109N104 S105 P107E102-N104 VanDerWaalsContact C-N 3.31Å; E102-N104 PolarHBondContact O-N 3.38Å; E102-S105 PolarHBondContact N-O 2.96Å; E102-S105 CarbonylContact O-C 3.38Å; E102-S105 WeakPolarHBondContact O-CA 3.37Å; E102-S105 PolarHBondContact O-N 2.91Å; E102-S105 VanDerWaalsContact O-O 3.05Å; E102-P107 HydrophobicContact CB-CB 4.28Å; E102-P107 HydrophobicContact CB-CG 4.29Å; E102-P107 WeakPolarHBondContact OE2-CB 3.2Å
103Y79.9Confident92.5Very high216 Ų21661.7 Ų61.785%0.84730%0.301SS*.THydrogen-bonded Turntrans46.845.4-176.2-55.8-73.8000115S105Y103-S105 PolarHBondContact O-N 2.88Å
104N80.1Confident92.6Very high64 Ų6465.4 Ų65.434%0.34232%0.317SS..THydrogen-bonded Turntrans59.120.9-175.5-69.4-30.7000115.1K101 E102 F229K101-N104 WeakPolarHBondContact CE-OD1 3.48Å; K101-N104 PolarHBondContact NZ-OD1 3.07Å; E102-N104 VanDerWaalsContact C-N 3.31Å; E102-N104 PolarHBondContact O-N 3.38Å; N104-F229 HydrophobicContact CB-CD2 4.46Å; N104-F229 WeakPolarHBondContact O-CD2 3.36Å
105S83.2Confident92.6Very high64 Ų6468.5 Ų68.545%0.44833%0.33SS..BIsolated β-bridgetrans-130.8175.1172.1-166.30000111E102 Y103E102-S105 PolarHBondContact N-O 2.96Å; E102-S105 CarbonylContact O-C 3.38Å; E102-S105 WeakPolarHBondContact O-CA 3.37Å; E102-S105 PolarHBondContact O-N 2.91Å; E102-S105 VanDerWaalsContact O-O 3.05Å; Y103-S105 PolarHBondContact O-N 2.88Å
106N88.6Confident92.6Very high6 Ų668.2 Ų68.23%0.03233%0.328CS..  trans-92.2124.8169-59125.1000108.8A96 N97 C98 V100 K138 P188A96-N106 HydrophobicContact CB-CB 3.82Å; N97-N106 WeakPolarHBondContact O-CB 3.15Å; N97-N106 PolarHBondContact O-ND2 3.2Å; C98-N106 WeakPolarHBondContact CA-ND2 3.27Å; C98-N106 PolarHBondContact O-ND2 3.07Å; V100-N106 PolarHBondContact O-ND2 2.9Å; V100-N106 VanDerWaalsContact O-ND2 3.08Å; N106-K138 PolarHBondContact OD1-NZ 2.75Å; N106-P188 WeakPolarHBondContact OD1-CD 3.19Å
107P88Confident92.7Very high37 Ų3768.1 Ų68.124%0.2433%0.328CS..  trans-65142.8177.827.7-33.4000110.7A96 N97 V100 E102A96-P107 VanDerWaalsContact CA-O 3.26Å; A96-P107 WeakPolarHBondContact CA-O 3.35Å; N97-P107 PolarHBondContact N-O 3.16Å; V100-P107 HydrophobicContact CB-CG 3.97Å; V100-P107 HydrophobicContact CG1-CG 3.66Å; V100-P107 WeakPolarHBondContact O-CD 3.41Å; E102-P107 HydrophobicContact CB-CB 4.28Å; E102-P107 HydrophobicContact CB-CG 4.29Å; E102-P107 WeakPolarHBondContact OE2-CB 3.2Å
108K93.1Very high92.8Very high109 Ų10970.6 Ų70.647%0.47434%0.341SS..EExtended strand (participates in β ladder)trans-111135.5-176.8-72.8-179.1-73.9-177.40111.2P94 V95 A96 D139P94-K108 HydrophobicContact CB-CD 4.26Å; V95-K108 WeakPolarHBondContact O-CA 3.38Å; A96-K108 HydrophobicContact CB-CG 3.88Å; K108-D139 IonicContact NZ-OD2 3.78Å; K108-D139 PolarHBondContact NZ-OD2 3.04Å
109E94.9Very high92.9Very high134 Ų13470.6 Ų70.663%0.62634%0.34SS*.EExtended strand (participates in β ladder)trans-112.5151.3169.8-67.3179.3-176.900110.2P94 V95 I111P94-E109 WeakPolarHBondContact CA-O 3.22Å; V95-E109 PolarHBondContact N-O 3.36Å; V95-E109 PolarHBondContact O-N 3.38Å; E109-I111 HydrophobicContact CB-CG2 4.38Å
110Q97.7Very high93.2Very high128 Ų12865.5 Ų65.560%0.59831%0.313SS*.EExtended strand (participates in β ladder)trans-95.5113174.2-64.5-65.2-7.500108.8I92 V93I92-Q110 HydrophobicContact CG2-CB 3.74Å; I92-Q110 HydrophobicContact CG2-CG 4.49Å; V93-Q110 VanDerWaalsContact C-OE1 3.23Å; V93-Q110 PolarHBondContact O-OE1 2.85Å
111I97.7Very high93.6Very high18 Ų1865.2 Ų65.29%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-130162.6-179.867.7173.1000111.2I92 V93 V95 E109 Y116I92-I111 WeakPolarHBondContact CA-O 3.27Å; V93-I111 HydrophobicContact CG2-CG1 4.45Å; V93-I111 WeakPolarHBondContact CG2-O 3.37Å; V93-I111 PolarHBondContact N-O 3.26Å; V93-I111 PolarHBondContact O-N 2.7Å; V93-I111 VanDerWaalsContact O-N 3.08Å; V95-I111 HydrophobicContact CB-CD1 4.1Å; V95-I111 HydrophobicContact CB-CG1 4.16Å; V95-I111 HydrophobicContact CG1-CD1 4.32Å; V95-I111 HydrophobicContact CG2-CD1 3.81Å; V95-I111 HydrophobicContact CG2-CG1 3.67Å; E109-I111 HydrophobicContact CB-CG2 4.38Å; I111-Y116 HydrophobicContact CD1-CD2 4.3Å
112H98.4Very high94Very high74 Ų7465.1 Ų65.134%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-67.7136.5173-78.8-82.1000110.9E90 A91 I92 K114 E115 Y116E90-H112 PolarHBondContact O-ND1 3.45Å; A91-H112 CarbonylContact O-C 3.56Å; A91-H112 WeakPolarHBondContact O-CA 3.47Å; I92-H112 VanDerWaalsContact CD1-CE1 3.47Å; I92-H112 WeakPolarHBondContact CD1-CE1 3.49Å; I92-H112 WeakPolarHBondContact CD1-ND1 2.9Å; H112-K114 VanDerWaalsContact C-N 3.25Å; H112-K114 HydrophobicContact CB-CG 4.09Å; H112-K114 PolarHBondContact O-N 3.23Å; H112-E115 HydrophobicContact CB-CB 4.42Å; H112-E115 WeakPolarHBondContact O-CA 3.32Å; H112-E115 VanDerWaalsContact O-CB 3.31Å; H112-E115 WeakPolarHBondContact O-CB 3.48Å; H112-E115 PolarHBondContact O-N 3.09Å; H112-Y116 PolarHBondContact O-N 3.33Å; H112-Y116 VanDerWaalsContact O-N 3.07Å
113F98.7Very high94.5Very high0 Ų061.5 Ų61.50%029%0.29CS..Hα-helixtrans-57.2-38.4179.3-174.8-106.5000112.2L84 F88 A91 V93 E115 Y116 I117 L137 W140 M180L84-F113 HydrophobicContact CB-CE1 3.85Å; L84-F113 HydrophobicContact CB-CZ 4.01Å; F88-F113 HydrophobicContact CB-CD1 3.85Å; F88-F113 HydrophobicContact CB-CE1 4.07Å; F88-F113 HydrophobicContact CB-CG 4.38Å; F88-F113 VanDerWaalsContact O-CB 3.27Å; F88-F113 WeakPolarHBondContact O-CB 3.45Å; F88-F113 WeakPolarHBondContact O-CD1 3.37Å; A91-F113 HydrophobicContact CB-CB 4.34Å; A91-F113 PolarHBondContact O-N 3.31Å; V93-F113 HydrophobicContact CG1-CB 4.01Å; V93-F113 HydrophobicContact CG1-CD2 3.9Å; V93-F113 HydrophobicContact CG1-CG 4.37Å; V93-F113 HydrophobicContact CG2-CB 4.12Å; V93-F113 HydrophobicContact CG2-CD2 4.09Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 3.26Å; F113-Y116 WeakPolarHBondContact O-CB 3.46Å; F113-Y116 PolarHBondContact O-N 2.8Å; F113-I117 HydrophobicContact CD1-CG1 4.01Å; F113-I117 HydrophobicContact CE1-CD1 4.06Å; F113-I117 HydrophobicContact CE1-CG1 3.58Å; F113-I117 HydrophobicContact CE2-CD1 4.04Å; F113-I117 HydrophobicContact CE2-CG1 4.19Å; F113-I117 HydrophobicContact CG-CG1 4.48Å; F113-I117 HydrophobicContact CZ-CD1 3.64Å; F113-I117 HydrophobicContact CZ-CG1 3.7Å; F113-I117 WeakPolarHBondContact O-CG1 3.21Å; F113-I117 PolarHBondContact O-N 3.19Å; F113-L137 HydrophobicContact CD2-CD1 3.72Å; F113-L137 HydrophobicContact CE2-CD1 3.66Å; F113-W140 HydrophobicContact CD2-CH2 4.42Å; F113-W140 HydrophobicContact CD2-CZ3 4.24Å; F113-W140 HydrophobicContact CE2-CH2 4.48Å; F113-W140 AromaticContact CE2-CZ3 4Å; F113-W140 HydrophobicContact CE2-CZ3 4Å; F113-M180 HydrophobicContact CE2-SD 3.84Å; F113-M180 HydrophobicContact CZ-SD 3.89Å
114K98.7Very high95.4Very high78 Ų7853.9 Ų53.934%0.33926%0.264SS..Hα-helixtrans-59.8-37173.567.6-170.4172.5-166.50113.6L85 G89 E90 H112 N118L85-K114 HydrophobicContact CD2-CB 3.79Å; G89-K114 VanDerWaalsContact O-CB 3.3Å; G89-K114 WeakPolarHBondContact O-CB 3.23Å; G89-K114 WeakPolarHBondContact O-CG 3.35Å; G89-K114 PolarHBondContact O-N 2.91Å; E90-K114 WeakPolarHBondContact OE1-CD 3.22Å; E90-K114 IonicContact OE1-NZ 2.83Å; E90-K114 PolarHBondContact OE1-NZ 3.32Å; E90-K114 IonicContact OE2-NZ 3.75Å; E90-K114 PolarHBondContact OE2-NZ 3.22Å; H112-K114 VanDerWaalsContact C-N 3.25Å; H112-K114 HydrophobicContact CB-CG 4.09Å; H112-K114 PolarHBondContact O-N 3.23Å; K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 PolarHBondContact O-N 3.07Å; K114-N118 PolarHBondContact O-ND2 2.86Å
115E98.5Very high96.3Very high78 Ų7859 Ų5936%0.36428%0.283SS..Hα-helixtrans-67.5-44175.7-167.9-160.9137.400110.1H112 F113 I117 N118 Y119 R132H112-E115 HydrophobicContact CB-CB 4.42Å; H112-E115 WeakPolarHBondContact O-CA 3.32Å; H112-E115 VanDerWaalsContact O-CB 3.31Å; H112-E115 WeakPolarHBondContact O-CB 3.48Å; H112-E115 PolarHBondContact O-N 3.09Å; F113-E115 VanDerWaalsContact C-N 3.29Å; F113-E115 PolarHBondContact O-N 3.26Å; E115-I117 PolarHBondContact O-N 3.09Å; E115-N118 PolarHBondContact O-N 3.36Å; E115-Y119 PolarHBondContact O-N 3.13Å; E115-R132 IonicContact OE1-CZ 3.49Å; E115-R132 IonicContact OE1-NH1 3.54Å; E115-R132 PolarHBondContact OE1-NH1 2.89Å; E115-R132 IonicContact OE1-NH2 2.76Å; E115-R132 PolarHBondContact OE1-NH2 3.02Å
116Y98.7Very high97Very high0 Ų060.7 Ų60.70%029%0.287CS..Hα-helixtrans-58.5-46.9176.5-178.5-115.1000112.5V95 I111 H112 F113 N118 Y119 W120 L135 L137 M180 G181V95-Y116 HydrophobicContact CB-CD2 4.39Å; V95-Y116 HydrophobicContact CG1-CD2 3.73Å; V95-Y116 HydrophobicContact CG1-CE2 3.72Å; V95-Y116 HydrophobicContact CG2-CD2 3.69Å; V95-Y116 HydrophobicContact CG2-CE2 4.19Å; V95-Y116 HydrophobicContact CG2-CG 3.96Å; I111-Y116 HydrophobicContact CD1-CD2 4.3Å; H112-Y116 PolarHBondContact O-N 3.33Å; H112-Y116 VanDerWaalsContact O-N 3.07Å; F113-Y116 WeakPolarHBondContact O-CB 3.46Å; F113-Y116 PolarHBondContact O-N 2.8Å; Y116-N118 VanDerWaalsContact C-N 3.34Å; Y116-N118 PolarHBondContact O-N 3.36Å; Y116-Y119 HydrophobicContact CD2-CD1 4.21Å; Y116-Y119 HydrophobicContact CE2-CD1 4.07Å; Y116-Y119 HydrophobicContact CE2-CE1 4.35Å; Y116-Y119 WeakPolarHBondContact O-CB 3.46Å; Y116-Y119 PolarHBondContact O-N 3.41Å; Y116-W120 HydrophobicContact CD1-CE3 4.47Å; Y116-W120 AromaticContact CE1-CE3 3.69Å; Y116-W120 HydrophobicContact CE1-CE3 3.69Å; Y116-W120 HydrophobicContact CE1-CZ3 4.07Å; Y116-W120 PolarHBondContact O-N 3.24Å; Y116-L135 HydrophobicContact CE2-CB 3.97Å; Y116-L135 PolarHBondContact OH-O 3.43Å; Y116-L137 HydrophobicContact CD1-CB 4.06Å; Y116-L137 HydrophobicContact CD1-CD1 3.99Å; Y116-L137 HydrophobicContact CE1-CB 3.56Å; Y116-L137 HydrophobicContact CE1-CD1 4.18Å; Y116-L137 PolarHBondContact OH-N 3.4Å; Y116-M180 PolarHBondContact OH-O 2.98Å; Y116-G181 VanDerWaalsContact OH-CA 3.3Å; Y116-G181 WeakPolarHBondContact OH-CA 3.43Å
117I98.6Very high97.4Very high0 Ų065.9 Ų65.90%032%0.315CS..Hα-helixtrans-65.9-36.4177.9-64.4-54.2000111.7F81 L85 F113 E115 W120 K121F81-I117 HydrophobicContact CB-CG2 3.91Å; F81-I117 HydrophobicContact CD1-CD1 3.79Å; F81-I117 HydrophobicContact CD1-CG2 3.88Å; F81-I117 HydrophobicContact CE1-CD1 3.97Å; F81-I117 HydrophobicContact CG-CG2 3.92Å; L85-I117 HydrophobicContact CD1-CG2 3.78Å; L85-I117 HydrophobicContact CD2-CB 3.89Å; L85-I117 HydrophobicContact CD2-CG1 4.15Å; L85-I117 HydrophobicContact CD2-CG2 4.04Å; L85-I117 HydrophobicContact CG-CB 4.23Å; L85-I117 HydrophobicContact CG-CG1 4.4Å; L85-I117 HydrophobicContact CG-CG2 3.87Å; F113-I117 HydrophobicContact CD1-CG1 4.01Å; F113-I117 HydrophobicContact CE1-CD1 4.06Å; F113-I117 HydrophobicContact CE1-CG1 3.58Å; F113-I117 HydrophobicContact CE2-CD1 4.04Å; F113-I117 HydrophobicContact CE2-CG1 4.19Å; F113-I117 HydrophobicContact CG-CG1 4.48Å; F113-I117 HydrophobicContact CZ-CD1 3.64Å; F113-I117 HydrophobicContact CZ-CG1 3.7Å; F113-I117 WeakPolarHBondContact O-CG1 3.21Å; F113-I117 PolarHBondContact O-N 3.19Å; E115-I117 PolarHBondContact O-N 3.09Å; I117-W120 HydrophobicContact CD1-CE3 3.97Å; I117-W120 HydrophobicContact CD1-CZ3 4.38Å; I117-W120 PolarHBondContact O-N 3.28Å; I117-K121 HydrophobicContact CG2-CD 4.24Å; I117-K121 HydrophobicContact CG2-CG 4.4Å; I117-K121 WeakPolarHBondContact O-CB 3.49Å; I117-K121 WeakPolarHBondContact O-CG 3.22Å; I117-K121 PolarHBondContact O-N 2.78Å
118N98.4Very high97.8Very high85 Ų8567.1 Ų67.146%0.45532%0.315SS..Hα-helixtrans-62.7-46.3173.8-73.2-21.3000111.2K114 E115 Y116 W120 K121 E122K114-N118 WeakPolarHBondContact O-CB 3.42Å; K114-N118 PolarHBondContact O-N 3.07Å; K114-N118 PolarHBondContact O-ND2 2.86Å; E115-N118 PolarHBondContact O-N 3.36Å; Y116-N118 VanDerWaalsContact C-N 3.34Å; Y116-N118 PolarHBondContact O-N 3.36Å; N118-W120 VanDerWaalsContact C-N 3.3Å; N118-W120 PolarHBondContact O-N 2.71Å; N118-K121 PolarHBondContact O-N 3.03Å; N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 2.74Å
119Y98.4Very high97.9Very high5 Ų570.3 Ų70.32%0.0232%0.324CS..Hα-helixtrans-54.4-47.5172156.7-90.6000111.2E115 Y116 K121 E122 Y123 R132 G133 C134 L135E115-Y119 PolarHBondContact O-N 3.13Å; Y116-Y119 HydrophobicContact CD2-CD1 4.21Å; Y116-Y119 HydrophobicContact CE2-CD1 4.07Å; Y116-Y119 HydrophobicContact CE2-CE1 4.35Å; Y116-Y119 WeakPolarHBondContact O-CB 3.46Å; Y116-Y119 PolarHBondContact O-N 3.41Å; Y119-K121 PolarHBondContact O-N 3.39Å; Y119-E122 PolarHBondContact O-N 3.33Å; Y119-Y123 HydrophobicContact CE2-CD2 4.28Å; Y119-Y123 AromaticContact CZ-CD2 3.96Å; Y119-Y123 WeakPolarHBondContact O-CB 3.28Å; Y119-Y123 PolarHBondContact O-N 3.13Å; Y119-Y123 WeakPolarHBondContact OH-CD2 3.47Å; Y119-R132 HydrophobicContact CE2-CB 4.18Å; Y119-G133 PolarHBondContact OH-O 2.87Å; Y119-C134 WeakPolarHBondContact OH-CA 3.38Å; Y119-L135 HydrophobicContact CD1-CB 4.03Å; Y119-L135 HydrophobicContact CD1-CD1 3.99Å; Y119-L135 HydrophobicContact CD1-CG 4.31Å; Y119-L135 HydrophobicContact CD2-CD1 3.85Å; Y119-L135 HydrophobicContact CD2-CG 4.37Å; Y119-L135 HydrophobicContact CE1-CB 3.46Å; Y119-L135 VanDerWaalsContact CE1-CB 3.46Å; Y119-L135 HydrophobicContact CE1-CD1 4.04Å; Y119-L135 HydrophobicContact CE1-CG 3.85Å; Y119-L135 HydrophobicContact CE2-CB 4.4Å; Y119-L135 HydrophobicContact CE2-CD1 3.83Å; Y119-L135 HydrophobicContact CE2-CG 3.85Å; Y119-L135 HydrophobicContact CG-CD1 3.93Å; Y119-L135 PolarHBondContact OH-N 3.49Å
120W98.6Very high98Very high0 Ų065.6 Ų65.60%031%0.306CS..Hα-helixtrans-65.3-43.4-177.1-168.2-8.6000111.5P79 F81 Y116 I117 N118 E122 Y123 I124 M180 G181 P182 D277 T278 V279P79-W120 HydrophobicContact CG-CH2 4.12Å; P79-W120 HydrophobicContact CG-CZ2 4.08Å; F81-W120 AromaticContact CE1-CD2 3.76Å; F81-W120 HydrophobicContact CE1-CD2 3.76Å; F81-W120 AromaticContact CE1-CE3 3.61Å; F81-W120 HydrophobicContact CE1-CE3 3.61Å; F81-W120 HydrophobicContact CE1-CG 4.32Å; F81-W120 HydrophobicContact CE1-CH2 4.23Å; F81-W120 HydrophobicContact CE1-CZ2 4.38Å; F81-W120 AromaticContact CE1-CZ3 3.84Å; F81-W120 HydrophobicContact CE1-CZ3 3.84Å; F81-W120 AromaticContact CZ-CD2 3.66Å; F81-W120 HydrophobicContact CZ-CD2 3.66Å; F81-W120 AromaticContact CZ-CE2 3.8Å; F81-W120 HydrophobicContact CZ-CE3 4.03Å; F81-W120 AromaticContact CZ-CG 3.9Å; F81-W120 HydrophobicContact CZ-CG 3.9Å; F81-W120 HydrophobicContact CZ-CZ2 4.29Å; F81-W120 HydrophobicContact CZ-CZ3 4.46Å; Y116-W120 HydrophobicContact CD1-CE3 4.47Å; Y116-W120 AromaticContact CE1-CE3 3.69Å; Y116-W120 HydrophobicContact CE1-CE3 3.69Å; Y116-W120 HydrophobicContact CE1-CZ3 4.07Å; Y116-W120 PolarHBondContact O-N 3.24Å; I117-W120 HydrophobicContact CD1-CE3 3.97Å; I117-W120 HydrophobicContact CD1-CZ3 4.38Å; I117-W120 PolarHBondContact O-N 3.28Å; N118-W120 VanDerWaalsContact C-N 3.3Å; N118-W120 PolarHBondContact O-N 2.71Å; W120-E122 VanDerWaalsContact C-N 3.3Å; W120-E122 PolarHBondContact O-N 3.48Å; W120-Y123 WeakPolarHBondContact O-CB 3.29Å; W120-Y123 PolarHBondContact O-N 3.14Å; W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 2.72Å; W120-M180 HydrophobicContact CH2-CB 3.96Å; W120-M180 HydrophobicContact CZ3-CB 3.6Å; W120-G181 VanDerWaalsContact CH2-N 3.28Å; W120-G181 WeakPolarHBondContact CZ2-O 3.39Å; W120-P182 HydrophobicContact CG-CB 4.48Å; W120-P182 VanDerWaalsContact NE1-CA 3.25Å; W120-D277 HydrophobicContact CZ2-CB 3.92Å; W120-D277 PolarHBondContact NE1-OD1 3.47Å; W120-T278 WeakPolarHBondContact CH2-O 3.44Å; W120-V279 HydrophobicContact CH2-CG2 4.33Å
121K98.5Very high97.8Very high57 Ų5766.3 Ų66.325%0.24832%0.321CS..Hα-helixtrans-58.2-40.9173.4-74.8178.8175.8-1770111.7F81 D82 I117 N118 Y119 K125F81-K121 VanDerWaalsContact CB-CE 3.41Å; F81-K121 HydrophobicContact CD2-CD 4.36Å; F81-K121 HydrophobicContact CD2-CG 3.83Å; F81-K121 HydrophobicContact CE2-CG 4.05Å; D82-K121 IonicContact OD1-NZ 2.63Å; D82-K121 PolarHBondContact OD1-NZ 3.41Å; I117-K121 HydrophobicContact CG2-CD 4.24Å; I117-K121 HydrophobicContact CG2-CG 4.4Å; I117-K121 WeakPolarHBondContact O-CB 3.49Å; I117-K121 WeakPolarHBondContact O-CG 3.22Å; I117-K121 PolarHBondContact O-N 2.78Å; N118-K121 PolarHBondContact O-N 3.03Å; Y119-K121 PolarHBondContact O-N 3.39Å; K121-K125 VanDerWaalsContact O-CG 3.3Å; K121-K125 WeakPolarHBondContact O-CG 3.15Å; K121-K125 PolarHBondContact O-N 3.08Å
122E98.4Very high97.6Very high116 Ų11670.2 Ų70.254%0.54234%0.335SS..Hα-helixtrans-69.7-40.6175.8-72.5176.4179.700112.6N118 Y119 W120 I124 K125 N126N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 2.74Å; Y119-E122 PolarHBondContact O-N 3.33Å; W120-E122 VanDerWaalsContact C-N 3.3Å; W120-E122 PolarHBondContact O-N 3.48Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 2.94Å; E122-K125 PolarHBondContact O-N 3.43Å; E122-N126 WeakPolarHBondContact O-CB 3.45Å; E122-N126 PolarHBondContact O-N 3.48Å; E122-N126 PolarHBondContact O-ND2 3.32Å
123Y98.3Very high97.5Very high22 Ų2267.2 Ų67.29%0.08632%0.324CS..Hα-helixtrans-57.8-45.9177.1-168-109.2000111Y119 W120 N126 Y128 P182Y119-Y123 HydrophobicContact CE2-CD2 4.28Å; Y119-Y123 AromaticContact CZ-CD2 3.96Å; Y119-Y123 WeakPolarHBondContact O-CB 3.28Å; Y119-Y123 PolarHBondContact O-N 3.13Å; Y119-Y123 WeakPolarHBondContact OH-CD2 3.47Å; W120-Y123 WeakPolarHBondContact O-CB 3.29Å; W120-Y123 PolarHBondContact O-N 3.14Å; Y123-N126 CarbonylContact O-C 3.51Å; Y123-N126 PolarHBondContact O-N 2.91Å; Y123-Y128 AromaticContact CD1-CD1 3.63Å; Y123-Y128 HydrophobicContact CD1-CD1 3.63Å; Y123-Y128 HydrophobicContact CD1-CG 4.26Å; Y123-Y128 AromaticContact CE1-CD1 3.63Å; Y123-Y128 HydrophobicContact CE1-CD1 3.63Å; Y123-Y128 HydrophobicContact CE1-CG 4.11Å; Y123-Y128 VanDerWaalsContact CE2-C 3.42Å; Y123-Y128 WeakPolarHBondContact CE2-O 3.22Å; Y123-Y128 WeakPolarHBondContact O-CA 3.31Å; Y123-Y128 PolarHBondContact O-N 3.01Å; Y123-Y128 PolarHBondContact OH-O 2.92Å; Y123-P182 HydrophobicContact CD1-CB 3.47Å; Y123-P182 VanDerWaalsContact CD1-CB 3.47Å; Y123-P182 HydrophobicContact CD1-CG 3.74Å; Y123-P182 HydrophobicContact CE1-CB 3.69Å; Y123-P182 HydrophobicContact CE1-CG 3.79Å
124I98.1Very high97.4Very high57 Ų5767.4 Ų67.429%0.29233%0.325SS..Hα-helixtrans-61.3-47.6174.9-66.7165000111F81 W120 E122 N126 D127 Y128F81-I124 HydrophobicContact CE2-CD1 4.07Å; F81-I124 HydrophobicContact CZ-CD1 4.24Å; W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 2.72Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 2.94Å; I124-N126 PolarHBondContact O-N 3.22Å; I124-D127 PolarHBondContact O-N 3.41Å; I124-Y128 HydrophobicContact CG1-CE1 3.83Å
125K98.1Very high97.4Very high171 Ų17164.3 Ų64.374%0.74331%0.313SS*.Hα-helixtrans-60.8-29179.7-74.7173.2-176.61790113K121 E122 D127K121-K125 VanDerWaalsContact O-CG 3.3Å; K121-K125 WeakPolarHBondContact O-CG 3.15Å; K121-K125 PolarHBondContact O-N 3.08Å; E122-K125 PolarHBondContact O-N 3.43Å; K125-D127 VanDerWaalsContact C-N 3.34Å
126N97.7Very high97.4Very high100 Ų10060.8 Ų60.854%0.53530%0.296SS..THydrogen-bonded Turntrans-96.728.5-179.3-66.4-42000112.9E122 Y123 I124 Y128 R129E122-N126 WeakPolarHBondContact O-CB 3.45Å; E122-N126 PolarHBondContact O-N 3.48Å; E122-N126 PolarHBondContact O-ND2 3.32Å; Y123-N126 CarbonylContact O-C 3.51Å; Y123-N126 PolarHBondContact O-N 2.91Å; I124-N126 PolarHBondContact O-N 3.22Å; N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.43Å; N126-R129 WeakPolarHBondContact CB-O 3.32Å; N126-R129 WeakPolarHBondContact O-CB 3.32Å; N126-R129 PolarHBondContact O-N 3.39Å
127D97.4Very high97.4Very high114 Ų11460.8 Ų60.861%0.6130%0.296SS*.THydrogen-bonded Turntrans56.444.3178.3-168.842.8000112.8I124 K125 R129I124-D127 PolarHBondContact O-N 3.41Å; K125-D127 VanDerWaalsContact C-N 3.34Å; D127-R129 PolarHBondContact O-N 3.37Å
128Y97.6Very high97.2Very high63 Ų6361.2 Ų61.225%0.24730%0.298CS..SBendtrans57.746.1-178.8-59.5-88.1000112.8Y123 I124 N126 P182 K183 D277Y123-Y128 AromaticContact CD1-CD1 3.63Å; Y123-Y128 HydrophobicContact CD1-CD1 3.63Å; Y123-Y128 HydrophobicContact CD1-CG 4.26Å; Y123-Y128 AromaticContact CE1-CD1 3.63Å; Y123-Y128 HydrophobicContact CE1-CD1 3.63Å; Y123-Y128 HydrophobicContact CE1-CG 4.11Å; Y123-Y128 VanDerWaalsContact CE2-C 3.42Å; Y123-Y128 WeakPolarHBondContact CE2-O 3.22Å; Y123-Y128 WeakPolarHBondContact O-CA 3.31Å; Y123-Y128 PolarHBondContact O-N 3.01Å; Y123-Y128 PolarHBondContact OH-O 2.92Å; I124-Y128 HydrophobicContact CG1-CE1 3.83Å; N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.43Å; Y128-P182 HydrophobicContact CD1-CB 4.29Å; Y128-P182 HydrophobicContact CE1-CB 4.41Å; Y128-K183 HydrophobicContact CD1-CB 3.76Å; Y128-K183 HydrophobicContact CE1-CB 3.51Å; Y128-K183 HydrophobicContact CE2-CD 4.33Å; Y128-K183 HydrophobicContact CG-CB 4.45Å; Y128-D277 WeakPolarHBondContact CE1-OD1 3.37Å; Y128-D277 PolarHBondContact OH-OD2 3.4Å
129R95.4Very high97.1Very high177 Ų17759.2 Ų59.267%0.66829%0.287SS*.  trans-133138.7175-60.4177.8-172.6-174.71.8111N126 D127N126-R129 WeakPolarHBondContact CB-O 3.32Å; N126-R129 WeakPolarHBondContact O-CB 3.32Å; N126-R129 PolarHBondContact O-N 3.39Å; D127-R129 PolarHBondContact O-N 3.37Å
130S96.4Very high97Very high35 Ų3559.5 Ų59.525%0.24529%0.288CS..  trans-153.1144.1172.5173.30000110.4R132 G133S130-R132 PolarHBondContact O-N 2.61Å; S130-R132 PolarHBondContact OG-N 2.78Å; S130-R132 VanDerWaalsContact OG-N 3.14Å; S130-G133 PolarHBondContact O-N 3.02Å
131P94.1Very high96.9Very high142 Ų14262.1 Ų62.192%0.92230%0.3SS*.THydrogen-bonded Turntrans-64-17.8171.528.6-36.4000113G133P131-G133 PolarHBondContact O-N 3.31Å
132R93.1Very high96.9Very high100 Ų10059.4 Ų59.438%0.37729%0.289SS..THydrogen-bonded Turntrans-76.4-5.5173.2-64.1177.468.6169.95.4112.9N97 E115 Y119 S130 L135N97-R132 PolarHBondContact ND2-O 2.73Å; E115-R132 IonicContact OE1-CZ 3.49Å; E115-R132 IonicContact OE1-NH1 3.54Å; E115-R132 PolarHBondContact OE1-NH1 2.89Å; E115-R132 IonicContact OE1-NH2 2.76Å; E115-R132 PolarHBondContact OE1-NH2 3.02Å; Y119-R132 HydrophobicContact CE2-CB 4.18Å; S130-R132 PolarHBondContact O-N 2.61Å; S130-R132 PolarHBondContact OG-N 2.78Å; S130-R132 VanDerWaalsContact OG-N 3.14Å; R132-L135 HydrophobicContact CB-CD1 4.41Å
133G95Very high96.6Very high11 Ų1155.1 Ų55.111%0.11327%0.272CS..  trans79.1-168.7-170.900000112.9D99 Y119 S130 P131D99-G133 WeakPolarHBondContact OD2-CA 3.47Å; Y119-G133 PolarHBondContact OH-O 2.87Å; S130-G133 PolarHBondContact O-N 3.02Å; P131-G133 PolarHBondContact O-N 3.31Å
134C97.4Very high96.3Very high4 Ų460 Ų603%0.02729%0.29CS..  trans-87105.4174.9178.10000111.3C98 D99 Y119 S185C98-C134 HydrophobicContact CB-CB 4.04Å; C98-C134 VanDerWaalsContact CB-O 3.25Å; C98-C134 WeakPolarHBondContact CB-O 3.38Å; C98-C134 PolarHBondContact N-O 3.34Å; D99-C134 PolarHBondContact OD2-N 2.98Å; Y119-C134 WeakPolarHBondContact OH-CA 3.38Å; C134-S185 WeakPolarHBondContact SG-CA 3.33Å; C134-S185 VanDerWaalsContact SG-CB 3.6Å; C134-S185 PolarHBondContact SG-N 3.03Å
135L98.3Very high96.2Very high13 Ų1360 Ų607%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-94.5134.1-178.6-53.7-177.9000112V95 A96 N97 Y116 Y119 R132 P182V95-L135 HydrophobicContact CG1-CB 3.67Å; V95-L135 HydrophobicContact CG1-CD1 4.33Å; V95-L135 HydrophobicContact CG1-CG 4.43Å; A96-L135 CarbonylContact O-C 3.23Å; A96-L135 VanDerWaalsContact O-CA 3.31Å; A96-L135 WeakPolarHBondContact O-CA 3.46Å; N97-L135 HydrophobicContact CB-CD2 3.85Å; Y116-L135 HydrophobicContact CE2-CB 3.97Å; Y116-L135 PolarHBondContact OH-O 3.43Å; Y119-L135 HydrophobicContact CD1-CB 4.03Å; Y119-L135 HydrophobicContact CD1-CD1 3.99Å; Y119-L135 HydrophobicContact CD1-CG 4.31Å; Y119-L135 HydrophobicContact CD2-CD1 3.85Å; Y119-L135 HydrophobicContact CD2-CG 4.37Å; Y119-L135 HydrophobicContact CE1-CB 3.46Å; Y119-L135 VanDerWaalsContact CE1-CB 3.46Å; Y119-L135 HydrophobicContact CE1-CD1 4.04Å; Y119-L135 HydrophobicContact CE1-CG 3.85Å; Y119-L135 HydrophobicContact CE2-CB 4.4Å; Y119-L135 HydrophobicContact CE2-CD1 3.83Å; Y119-L135 HydrophobicContact CE2-CG 3.85Å; Y119-L135 HydrophobicContact CG-CD1 3.93Å; Y119-L135 PolarHBondContact OH-N 3.49Å; R132-L135 HydrophobicContact CB-CD1 4.41Å; L135-P182 WeakPolarHBondContact O-CD 3.18Å
136Y98.5Very high96.1Very high4 Ų454.2 Ų54.22%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-129.1116.8-175.5-167.7-179.1000110.5A96 K138 Y179 M180 N274A96-Y136 PolarHBondContact N-O 2.95Å; A96-Y136 PolarHBondContact O-N 2.69Å; Y136-K138 HydrophobicContact CD1-CD 3.93Å; Y136-K138 HydrophobicContact CD1-CG 3.8Å; Y136-K138 HydrophobicContact CD2-CG 3.96Å; Y136-K138 HydrophobicContact CE1-CD 4.12Å; Y136-K138 HydrophobicContact CE1-CG 3.99Å; Y136-K138 HydrophobicContact CE2-CG 4.21Å; Y136-K138 HydrophobicContact CG-CD 4.28Å; Y136-K138 HydrophobicContact CG-CG 3.71Å; Y136-K138 PolarHBondContact O-N 2.75Å; Y136-Y179 HydrophobicContact CE2-CD1 4.4Å; Y136-Y179 WeakPolarHBondContact OH-CB 3.26Å; Y136-M180 VanDerWaalsContact CD2-O 3.25Å; Y136-M180 WeakPolarHBondContact CD2-O 3.06Å; Y136-N274 VanDerWaalsContact CZ-ND2 3.34Å; Y136-N274 PolarHBondContact OH-ND2 3.32Å
137L98.5Very high95.8Very high0 Ų054.3 Ų54.30%028%0.279CS..EExtended strand (participates in β ladder)trans-69.4118.2168.9-175.3169.7000109.2V93 P94 V95 F113 Y116 W140 V178 Y179 M180V93-L137 HydrophobicContact CB-CD1 3.82Å; V93-L137 HydrophobicContact CB-CG 4.19Å; V93-L137 HydrophobicContact CG1-CD1 4.08Å; V93-L137 HydrophobicContact CG2-CD1 3.86Å; V93-L137 HydrophobicContact CG2-CG 4.42Å; P94-L137 WeakPolarHBondContact O-CA 3.49Å; V95-L137 HydrophobicContact CG2-CB 4.24Å; F113-L137 HydrophobicContact CD2-CD1 3.72Å; F113-L137 HydrophobicContact CE2-CD1 3.66Å; Y116-L137 HydrophobicContact CD1-CB 4.06Å; Y116-L137 HydrophobicContact CD1-CD1 3.99Å; Y116-L137 HydrophobicContact CE1-CB 3.56Å; Y116-L137 HydrophobicContact CE1-CD1 4.18Å; Y116-L137 PolarHBondContact OH-N 3.4Å; L137-W140 HydrophobicContact CD1-CE3 4.04Å; L137-W140 HydrophobicContact CD1-CZ3 4.48Å; L137-W140 HydrophobicContact CD2-CB 3.52Å; L137-W140 HydrophobicContact CD2-CD2 4.43Å; L137-W140 HydrophobicContact CD2-CE3 4.02Å; L137-W140 HydrophobicContact CD2-CG 4.29Å; L137-V178 WeakPolarHBondContact CD2-O 3.43Å; L137-Y179 VanDerWaalsContact O-CA 3.31Å; L137-Y179 WeakPolarHBondContact O-CA 3.22Å; L137-M180 HydrophobicContact CB-CB 4.38Å; L137-M180 VanDerWaalsContact CB-O 3.3Å; L137-M180 WeakPolarHBondContact CB-O 3.36Å; L137-M180 HydrophobicContact CD2-CG 4.49Å; L137-M180 PolarHBondContact N-O 2.93Å; L137-M180 PolarHBondContact O-N 3.24Å
138K95.3Very high95.6Very high10 Ų1054.8 Ų54.84%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-136.2146.5-175.7-61.8-169-178174.70111.4P94 A96 N106 Y136 W140 Y179 W186 T187P94-K138 WeakPolarHBondContact CB-O 3.17Å; P94-K138 WeakPolarHBondContact CG-O 3.16Å; P94-K138 PolarHBondContact O-N 3.37Å; A96-K138 HydrophobicContact CB-CD 4.15Å; A96-K138 HydrophobicContact CB-CG 4.4Å; N106-K138 PolarHBondContact OD1-NZ 2.75Å; Y136-K138 HydrophobicContact CD1-CD 3.93Å; Y136-K138 HydrophobicContact CD1-CG 3.8Å; Y136-K138 HydrophobicContact CD2-CG 3.96Å; Y136-K138 HydrophobicContact CE1-CD 4.12Å; Y136-K138 HydrophobicContact CE1-CG 3.99Å; Y136-K138 HydrophobicContact CE2-CG 4.21Å; Y136-K138 HydrophobicContact CG-CD 4.28Å; Y136-K138 HydrophobicContact CG-CG 3.71Å; Y136-K138 PolarHBondContact O-N 2.75Å; K138-W140 VanDerWaalsContact C-N 3.29Å; K138-W140 PolarHBondContact O-N 2.98Å; K138-Y179 VanDerWaalsContact CA-CD1 3.49Å; K138-Y179 HydrophobicContact CB-CD1 3.68Å; K138-Y179 HydrophobicContact CB-CE1 3.61Å; K138-Y179 HydrophobicContact CD-CE1 4.42Å; K138-Y179 HydrophobicContact CG-CD1 3.76Å; K138-Y179 HydrophobicContact CG-CE1 4.01Å; K138-W186 WeakPolarHBondContact CE-O 3.37Å; K138-W186 PolarHBondContact NZ-O 3.47Å; K138-T187 WeakPolarHBondContact CE-OG1 3.25Å; K138-T187 PolarHBondContact NZ-OG1 2.82Å; K138-T187 VanDerWaalsContact NZ-OG1 3.12Å
139D95.3Very high95.5Very high43 Ų4353.8 Ų53.823%0.2328%0.275CS..EExtended strand (participates in β ladder)trans62.634.4174.1-40.2-40.1000112.7K108 H141 F177 Y179K108-D139 IonicContact NZ-OD2 3.78Å; K108-D139 PolarHBondContact NZ-OD2 3.04Å; D139-H141 PolarHBondContact O-CD2 2.83Å; D139-H141 VanDerWaalsContact O-CD2 3.27Å; D139-H141 PolarHBondContact O-N 3.14Å; D139-F177 HydrophobicContact CB-CD1 4.06Å; D139-F177 HydrophobicContact CB-CE1 4.33Å; D139-Y179 VanDerWaalsContact OD1-CE1 3.31Å; D139-Y179 WeakPolarHBondContact OD1-CE1 3.5Å; D139-Y179 VanDerWaalsContact OD1-CZ 3.25Å; D139-Y179 PolarHBondContact OD1-OH 3.21Å
140W97.8Very high95.4Very high10 Ų1049.4 Ų49.44%0.03827%0.265CS..EExtended strand (participates in β ladder)trans-82.9114.1177-17830.1000110.9F88 A91 V93 P94 F113 L137 K138 L142 F146 F177 V178 M180F88-W140 HydrophobicContact CB-CH2 3.74Å; F88-W140 HydrophobicContact CB-CZ2 4.39Å; F88-W140 HydrophobicContact CD1-CH2 4.08Å; F88-W140 HydrophobicContact CD1-CZ2 4.47Å; F88-W140 HydrophobicContact CD2-CH2 4.15Å; F88-W140 AromaticContact CG-CH2 3.74Å; F88-W140 HydrophobicContact CG-CH2 3.74Å; F88-W140 HydrophobicContact CG-CZ2 4.48Å; A91-W140 HydrophobicContact CB-CZ2 3.93Å; V93-W140 HydrophobicContact CG1-CD2 3.75Å; V93-W140 HydrophobicContact CG1-CE3 4.18Å; V93-W140 HydrophobicContact CG1-CG 4.16Å; V93-W140 HydrophobicContact CG1-CH2 4.25Å; V93-W140 HydrophobicContact CG1-CZ2 3.82Å; V93-W140 HydrophobicContact CG1-CZ3 4.39Å; P94-W140 HydrophobicContact CG-CB 4.14Å; F113-W140 HydrophobicContact CD2-CH2 4.42Å; F113-W140 HydrophobicContact CD2-CZ3 4.24Å; F113-W140 HydrophobicContact CE2-CH2 4.48Å; F113-W140 AromaticContact CE2-CZ3 4Å; F113-W140 HydrophobicContact CE2-CZ3 4Å; L137-W140 HydrophobicContact CD1-CE3 4.04Å; L137-W140 HydrophobicContact CD1-CZ3 4.48Å; L137-W140 HydrophobicContact CD2-CB 3.52Å; L137-W140 HydrophobicContact CD2-CD2 4.43Å; L137-W140 HydrophobicContact CD2-CE3 4.02Å; L137-W140 HydrophobicContact CD2-CG 4.29Å; K138-W140 VanDerWaalsContact C-N 3.29Å; K138-W140 PolarHBondContact O-N 2.98Å; W140-L142 HydrophobicContact CD2-CB 4.02Å; W140-L142 HydrophobicContact CD2-CD1 4.39Å; W140-L142 HydrophobicContact CE3-CB 4.26Å; W140-L142 HydrophobicContact CE3-CD1 3.89Å; W140-L142 HydrophobicContact CG-CB 4.46Å; W140-L142 HydrophobicContact CH2-CD1 3.51Å; W140-L142 HydrophobicContact CH2-CG 4.11Å; W140-L142 HydrophobicContact CZ2-CB 4.39Å; W140-L142 HydrophobicContact CZ2-CD1 4.04Å; W140-L142 HydrophobicContact CZ2-CG 4.13Å; W140-L142 HydrophobicContact CZ3-CD1 3.45Å; W140-L142 VanDerWaalsContact CZ3-CD1 3.45Å; W140-L142 HydrophobicContact CZ3-CG 4.33Å; W140-L142 PolarHBondContact O-N 2.9Å; W140-F146 HydrophobicContact CZ2-CD2 4.32Å; W140-F146 AromaticContact CZ2-CE2 3.83Å; W140-F146 HydrophobicContact CZ2-CE2 3.83Å; W140-F177 WeakPolarHBondContact O-CA 3.25Å; W140-V178 HydrophobicContact CE3-CB 4.18Å; W140-V178 HydrophobicContact CE3-CG1 4.19Å; W140-V178 PolarHBondContact N-O 3.01Å; W140-V178 PolarHBondContact O-N 3.02Å; W140-M180 HydrophobicContact CE3-CE 4.49Å; W140-M180 HydrophobicContact CZ3-CE 4Å
141H97Very high95.4Very high56 Ų5648 Ų4826%0.25926%0.255SS..  trans-72.557176.6-62.6-103.2000112.3D139 R144 A145 D173 D174 F177D139-H141 PolarHBondContact O-CD2 2.83Å; D139-H141 VanDerWaalsContact O-CD2 3.27Å; D139-H141 PolarHBondContact O-N 3.14Å; H141-R144 HydrophobicContact CB-CB 4.39Å; H141-R144 PolarHBondContact O-N 2.74Å; H141-A145 WeakPolarHBondContact O-CB 3.41Å; H141-A145 PolarHBondContact O-N 3.46Å; H141-D173 IonicContact CE1-OD1 3.77Å; H141-D173 PolarHBondContact CE1-OD1 3.47Å; H141-D173 IonicContact ND1-OD1 3.69Å; H141-D173 PolarHBondContact ND1-OD1 3.24Å; H141-D174 WeakPolarHBondContact CB-OD1 3.32Å; H141-D174 PolarHBondContact CE1-O 2.71Å; H141-D174 IonicContact CE1-OD1 3.35Å; H141-D174 IonicContact CG-OD1 3.82Å; H141-D174 PolarHBondContact ND1-O 3.48Å; H141-D174 VanDerWaalsContact ND1-O 3.08Å; H141-D174 IonicContact ND1-OD1 2.69Å; H141-D174 PolarHBondContact ND1-OD1 2.55Å; H141-F177 AromaticContact CE1-CE1 3.42Å; H141-F177 VanDerWaalsContact CE1-CE1 3.42Å; H141-F177 WeakPolarHBondContact CE1-CE1 3.31Å; H141-F177 AromaticContact ND1-CE1 3.95Å; H141-F177 AromaticContact NE2-CE1 3.54Å
142L96.6Very high95.5Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-63-44.4-174.7-173.9160.5000111.5W72 F88 W140 R144 A145 F146 V151 V178W72-L142 HydrophobicContact CH2-CD1 3.82Å; W72-L142 HydrophobicContact CZ2-CD1 3.86Å; W72-L142 HydrophobicContact CZ2-CD2 4.49Å; F88-L142 HydrophobicContact CE1-CD1 4.21Å; F88-L142 HydrophobicContact CE1-CD2 4.42Å; F88-L142 HydrophobicContact CE1-CG 4.4Å; F88-L142 HydrophobicContact CE2-CD1 4.15Å; F88-L142 HydrophobicContact CZ-CD1 3.95Å; F88-L142 HydrophobicContact CZ-CD2 4.34Å; F88-L142 HydrophobicContact CZ-CG 4.49Å; W140-L142 HydrophobicContact CD2-CB 4.02Å; W140-L142 HydrophobicContact CD2-CD1 4.39Å; W140-L142 HydrophobicContact CE3-CB 4.26Å; W140-L142 HydrophobicContact CE3-CD1 3.89Å; W140-L142 HydrophobicContact CG-CB 4.46Å; W140-L142 HydrophobicContact CH2-CD1 3.51Å; W140-L142 HydrophobicContact CH2-CG 4.11Å; W140-L142 HydrophobicContact CZ2-CB 4.39Å; W140-L142 HydrophobicContact CZ2-CD1 4.04Å; W140-L142 HydrophobicContact CZ2-CG 4.13Å; W140-L142 HydrophobicContact CZ3-CD1 3.45Å; W140-L142 VanDerWaalsContact CZ3-CD1 3.45Å; W140-L142 HydrophobicContact CZ3-CG 4.33Å; W140-L142 PolarHBondContact O-N 2.9Å; L142-R144 PolarHBondContact O-N 3.38Å; L142-A145 PolarHBondContact O-N 3.22Å; L142-A145 VanDerWaalsContact O-N 3.1Å; L142-F146 HydrophobicContact CD2-CB 4.35Å; L142-F146 HydrophobicContact CG-CD2 4.2Å; L142-F146 PolarHBondContact O-N 3.07Å; L142-V151 HydrophobicContact CD2-CG2 3.75Å; L142-V178 HydrophobicContact CB-CB 4.26Å; L142-V178 HydrophobicContact CB-CG2 3.66Å; L142-V178 HydrophobicContact CD1-CB 4.5Å; L142-V178 HydrophobicContact CD1-CG2 3.99Å; L142-V178 HydrophobicContact CG-CG2 4.36Å
143S92.7Very high95.5Very high26 Ų2641.8 Ų41.818%0.18222%0.223CC..Hα-helixtrans-58.9-36.6-178.4-61.50000112.3P147 Y152S143-P147 VanDerWaalsContact O-CA 3.27Å; S143-P147 WeakPolarHBondContact O-CA 3.5Å; S143-Y152 PolarHBondContact OG-OH 3.08Å
144R93.1Very high95.4Very high124 Ų12443.4 Ų43.447%0.46823%0.231SC..Hα-helixtrans-74.2-41174-178.2-179.1174.3-167.15.5113H141 L142 V172 D173 D174H141-R144 HydrophobicContact CB-CB 4.39Å; H141-R144 PolarHBondContact O-N 2.74Å; L142-R144 PolarHBondContact O-N 3.38Å; R144-V172 PolarHBondContact NH1-O 3.23Å; R144-V172 PolarHBondContact NH2-O 3.44Å; R144-D173 IonicContact NH1-OD1 3.5Å; R144-D173 PolarHBondContact NH1-OD1 3.42Å; R144-D174 WeakPolarHBondContact CB-OD1 3.28Å
145A94.6Very high95.1Very high57 Ų5744 Ų4447%0.47124%0.235SC..Hα-helixtrans-74-28.7-17800000113.3H141 L142H141-A145 WeakPolarHBondContact O-CB 3.41Å; H141-A145 PolarHBondContact O-N 3.46Å; L142-A145 PolarHBondContact O-N 3.22Å; L142-A145 VanDerWaalsContact O-N 3.1Å
146F95.8Very high94.9Very high49 Ų4945.9 Ų45.922%0.21525%0.246CC..  trans-137.762.8-175.5-56.9-86000111.3F88 A91 W140 L142 E148 Q149F88-F146 HydrophobicContact CD1-CD1 4.23Å; F88-F146 HydrophobicContact CD1-CD2 4.02Å; F88-F146 HydrophobicContact CD1-CE1 4.23Å; F88-F146 HydrophobicContact CD1-CE2 4.04Å; F88-F146 HydrophobicContact CD1-CG 4.13Å; F88-F146 HydrophobicContact CD1-CZ 4.14Å; F88-F146 HydrophobicContact CE1-CB 4.21Å; F88-F146 HydrophobicContact CE1-CD1 4.22Å; F88-F146 HydrophobicContact CE1-CD2 4.05Å; F88-F146 AromaticContact CE1-CG 3.89Å; F88-F146 HydrophobicContact CE1-CG 3.89Å; A91-F146 HydrophobicContact CB-CE2 4.1Å; A91-F146 HydrophobicContact CB-CZ 3.89Å; W140-F146 HydrophobicContact CZ2-CD2 4.32Å; W140-F146 AromaticContact CZ2-CE2 3.83Å; W140-F146 HydrophobicContact CZ2-CE2 3.83Å; L142-F146 HydrophobicContact CD2-CB 4.35Å; L142-F146 HydrophobicContact CG-CD2 4.2Å; L142-F146 PolarHBondContact O-N 3.07Å; F146-E148 VanDerWaalsContact C-OE2 3.27Å; F146-E148 PolarHBondContact O-N 2.87Å; F146-E148 VanDerWaalsContact O-N 3.15Å; F146-Q149 HydrophobicContact CB-CG 3.62Å; F146-Q149 WeakPolarHBondContact O-CB 3.39Å; F146-Q149 WeakPolarHBondContact O-CG 3.31Å; F146-Q149 PolarHBondContact O-N 3.41Å; F146-Q149 VanDerWaalsContact O-N 3.14Å
147P92.2Very high94.7Very high102 Ų10246.3 Ų46.366%0.66225%0.248SC*.THydrogen-bonded Turntrans-65.8-16.9-17328.5-36.8000114.1S143 Q149S143-P147 VanDerWaalsContact O-CA 3.27Å; S143-P147 WeakPolarHBondContact O-CA 3.5Å; P147-Q149 VanDerWaalsContact C-N 3.3Å
148E93.8Very high94.6Very high125 Ų12546.3 Ų46.358%0.58425%0.248SC*.THydrogen-bonded Turntrans-79.3-9.3177.176.4-66.6161.100114F146F146-E148 VanDerWaalsContact C-OE2 3.27Å; F146-E148 PolarHBondContact O-N 2.87Å; F146-E148 VanDerWaalsContact O-N 3.15Å
149Q94.9Very high94.5Very high42 Ų4247 Ų4720%0.19625%0.253CS..SBendtrans-79.8131.2-177.5-58.1-62.3-42.600111.3F88 F146 P147 V151F88-Q149 HydrophobicContact CE1-CG 4Å; F88-Q149 HydrophobicContact CZ-CG 4.14Å; F146-Q149 HydrophobicContact CB-CG 3.62Å; F146-Q149 WeakPolarHBondContact O-CB 3.39Å; F146-Q149 WeakPolarHBondContact O-CG 3.31Å; F146-Q149 PolarHBondContact O-N 3.41Å; F146-Q149 VanDerWaalsContact O-N 3.14Å; P147-Q149 VanDerWaalsContact C-N 3.3Å; Q149-V151 VanDerWaalsContact C-N 3.35Å; Q149-V151 HydrophobicContact CB-CG2 3.8Å; Q149-V151 PolarHBondContact O-N 3.14Å
150D94.3Very high94.5Very high84 Ų8445 Ų4545%0.44924%0.242SC..  trans-74.188.3167.5173.728.8000109.5G67 R70G67-D150 CarbonylContact C-O 3.59Å; G67-D150 VanDerWaalsContact CA-O 3.31Å; G67-D150 WeakPolarHBondContact CA-O 3.49Å; G67-D150 WeakPolarHBondContact CA-OD2 3.44Å; R70-D150 IonicContact CZ-OD2 3.21Å; R70-D150 IonicContact NH2-OD1 3.23Å; R70-D150 IonicContact NH2-OD2 3.88Å; R70-D150 PolarHBondContact NH2-OD2 3.18Å
151V96Very high94.4Very high6 Ų645.3 Ų45.34%0.03625%0.245CC..  trans-96.8-56.2179.7-169.80000111.1G67 S68 W72 L142 Q149 I281G67-V151 PolarHBondContact N-O 3.37Å; S68-V151 WeakPolarHBondContact CB-O 3.15Å; S68-V151 PolarHBondContact N-O 2.97Å; S68-V151 PolarHBondContact OG-O 2.85Å; W72-V151 HydrophobicContact CH2-CG1 3.3Å; W72-V151 HydrophobicContact CH2-CG2 4.41Å; W72-V151 HydrophobicContact CZ2-CB 4.36Å; W72-V151 HydrophobicContact CZ2-CG1 3.51Å; W72-V151 HydrophobicContact CZ2-CG2 3.98Å; W72-V151 HydrophobicContact CZ3-CG1 4.01Å; L142-V151 HydrophobicContact CD2-CG2 3.75Å; Q149-V151 VanDerWaalsContact C-N 3.35Å; Q149-V151 HydrophobicContact CB-CG2 3.8Å; Q149-V151 PolarHBondContact O-N 3.14Å; V151-I281 HydrophobicContact CG1-CD1 3.55Å
152Y96.1Very high94.4Very high30 Ų3042.6 Ų42.612%0.11823%0.232CC..  trans-160.5167.4-179.864.4-78.3000110.2W66 S143 R176 W199 I281 H283W66-Y152 VanDerWaalsContact CE3-CB 3.41Å; W66-Y152 HydrophobicContact CE3-CG 4.41Å; W66-Y152 HydrophobicContact CZ3-CG 4.38Å; S143-Y152 PolarHBondContact OG-OH 3.08Å; Y152-R176 WeakPolarHBondContact OH-CD 3.38Å; Y152-W199 HydrophobicContact CD2-CH2 4.09Å; Y152-W199 HydrophobicContact CD2-CZ2 4.46Å; Y152-W199 HydrophobicContact CE2-CH2 4.12Å; Y152-W199 HydrophobicContact CE2-CZ2 4.21Å; Y152-I281 HydrophobicContact CD1-CD1 3.79Å; Y152-I281 HydrophobicContact CD1-CG2 4.11Å; Y152-I281 HydrophobicContact CE1-CG2 4.02Å; Y152-I281 HydrophobicContact CG-CD1 4.36Å; Y152-H283 AromaticContact CE1-NE2 3.93Å; Y152-H283 AromaticContact CE2-CE1 3.32Å; Y152-H283 WeakPolarHBondContact CE2-CE1 3.38Å; Y152-H283 AromaticContact CE2-NE2 3.17Å; Y152-H283 WeakPolarHBondContact CE2-NE2 3.3Å; Y152-H283 AromaticContact CZ-CE1 3.46Å; Y152-H283 VanDerWaalsContact CZ-CE1 3.46Å; Y152-H283 AromaticContact CZ-NE2 2.97Å; Y152-H283 PolarHBondContact OH-CE1 3.08Å; Y152-H283 PolarHBondContact OH-NE2 3.44Å
153T91.8Very high94.3Very high82 Ų8242.7 Ų42.750%0.50323%0.233SC..  trans-116.6128.1166-59.40000107.9W66 P155W66-T153 PolarHBondContact NE1-O 3.31Å; T153-P155 WeakPolarHBondContact O-CD 3.17Å
154T93Very high94.5Very high45 Ų4541.5 Ų41.528%0.27622%0.224SC..  trans-61118.2179.9-540000110.3F158 T159T154-F158 HydrophobicContact CG2-CB 3.99Å; T154-T159 HydrophobicContact CG2-CG2 3.98Å
155P92.8Very high94.5Very high17 Ų1735.8 Ų35.811%0.1120%0.203CC..  trans-58.7144.3174.1-24.934.2000111.7W66 T153 Y157 F158 I261W66-P155 HydrophobicContact CZ2-CG 3.96Å; T153-P155 WeakPolarHBondContact O-CD 3.17Å; P155-Y157 HydrophobicContact CB-CD2 3.86Å; P155-Y157 HydrophobicContact CB-CE2 4.48Å; P155-Y157 PolarHBondContact O-N 3.22Å; P155-F158 HydrophobicContact CB-CD2 3.96Å; P155-F158 HydrophobicContact CB-CE2 4.14Å; P155-F158 HydrophobicContact CG-CD2 3.98Å; P155-F158 HydrophobicContact CG-CE2 4.05Å; P155-F158 PolarHBondContact O-N 3.23Å; P155-I261 HydrophobicContact CG-CD1 4.16Å
156V92.8Very high94.6Very high52 Ų5233.6 Ų33.632%0.31518%0.183SC..G310 helixtrans-51.9-29-177.368.80000113.9Y42 F158 T159 T373 L374Y42-V156 HydrophobicContact CD2-CG2 4.46Å; Y42-V156 VanDerWaalsContact CD2-O 3.23Å; Y42-V156 WeakPolarHBondContact CD2-O 3.39Å; Y42-V156 WeakPolarHBondContact CE2-O 3.49Å; V156-F158 PolarHBondContact O-N 2.99Å; V156-T159 PolarHBondContact O-N 3.37Å; V156-T159 PolarHBondContact O-OG1 2.7Å; V156-T373 HydrophobicContact CG2-CG2 4.2Å; V156-L374 HydrophobicContact CG2-CD2 3.98Å
157Y95.6Very high94.5Very high13 Ų1332 Ų325%0.05118%0.175CC..G310 helixtrans-59-27.9176.9-48.5-73.2000113.1F40 F45 F58 F62 P155F40-Y157 HydrophobicContact CD1-CD1 4.14Å; F40-Y157 AromaticContact CD1-CE1 3.51Å; F40-Y157 HydrophobicContact CD1-CE1 3.51Å; F40-Y157 AromaticContact CD1-CZ 3.93Å; F40-Y157 HydrophobicContact CE1-CD1 4.04Å; F40-Y157 AromaticContact CE1-CE1 3.89Å; F40-Y157 HydrophobicContact CE1-CE1 3.89Å; F40-Y157 HydrophobicContact CG-CE1 4.48Å; F40-Y157 WeakPolarHBondContact O-CE1 3.4Å; F40-Y157 PolarHBondContact O-OH 2.96Å; F45-Y157 HydrophobicContact CB-CD1 3.74Å; F45-Y157 HydrophobicContact CD1-CD1 4.35Å; F45-Y157 HydrophobicContact CD1-CG 4.47Å; F45-Y157 WeakPolarHBondContact CD1-O 3.28Å; F45-Y157 WeakPolarHBondContact CE1-O 3.38Å; F45-Y157 HydrophobicContact CG-CD1 4.13Å; F58-Y157 HydrophobicContact CD1-CD2 4.37Å; F58-Y157 HydrophobicContact CE1-CD1 4.18Å; F58-Y157 AromaticContact CE1-CD2 3.67Å; F58-Y157 HydrophobicContact CE1-CD2 3.67Å; F58-Y157 HydrophobicContact CE1-CE1 4.45Å; F58-Y157 HydrophobicContact CE1-CE2 4.02Å; F58-Y157 AromaticContact CE1-CG 3.78Å; F58-Y157 HydrophobicContact CE1-CG 3.78Å; F58-Y157 HydrophobicContact CZ-CD2 4.34Å; F58-Y157 HydrophobicContact CZ-CG 4.08Å; F62-Y157 HydrophobicContact CD1-CD2 4.47Å; F62-Y157 AromaticContact CD1-CE2 3.77Å; F62-Y157 HydrophobicContact CD1-CE2 3.77Å; F62-Y157 HydrophobicContact CE1-CD2 4.38Å; F62-Y157 AromaticContact CE1-CE2 3.43Å; F62-Y157 HydrophobicContact CE1-CE2 3.43Å; F62-Y157 VanDerWaalsContact CE1-CE2 3.43Å; F62-Y157 AromaticContact CE1-CZ 3.81Å; P155-Y157 HydrophobicContact CB-CD2 3.86Å; P155-Y157 HydrophobicContact CB-CE2 4.48Å; P155-Y157 PolarHBondContact O-N 3.22Å
158F95.4Very high94.5Very high0 Ų030.2 Ų30.20%016%0.16CC..G310 helixtrans-114.513.1-173.1-43.8-51.5000112.9F45 F58 T154 P155 V156 W199 I261 W285F45-F158 HydrophobicContact CE1-CD1 4.1Å; F45-F158 HydrophobicContact CE1-CE1 4.05Å; F45-F158 HydrophobicContact CE2-CE1 4.49Å; F45-F158 HydrophobicContact CZ-CD1 4.22Å; F45-F158 AromaticContact CZ-CE1 3.78Å; F45-F158 HydrophobicContact CZ-CE1 3.78Å; F58-F158 HydrophobicContact CD2-CZ 4Å; F58-F158 HydrophobicContact CE2-CE1 4.02Å; F58-F158 AromaticContact CE2-CZ 3.61Å; F58-F158 HydrophobicContact CE2-CZ 3.61Å; F58-F158 HydrophobicContact CZ-CE1 4.21Å; F58-F158 AromaticContact CZ-CZ 3.92Å; F58-F158 HydrophobicContact CZ-CZ 3.92Å; T154-F158 HydrophobicContact CG2-CB 3.99Å; P155-F158 HydrophobicContact CB-CD2 3.96Å; P155-F158 HydrophobicContact CB-CE2 4.14Å; P155-F158 HydrophobicContact CG-CD2 3.98Å; P155-F158 HydrophobicContact CG-CE2 4.05Å; P155-F158 PolarHBondContact O-N 3.23Å; V156-F158 PolarHBondContact O-N 2.99Å; F158-W199 VanDerWaalsContact CB-CD1 3.44Å; F158-W199 VanDerWaalsContact CB-NE1 3.32Å; F158-W199 HydrophobicContact CD1-CB 4.43Å; F158-W199 AromaticContact CD1-CD1 3.63Å; F158-W199 HydrophobicContact CD1-CG 4.26Å; F158-W199 AromaticContact CD2-CD1 3.41Å; F158-W199 VanDerWaalsContact CD2-CD1 3.41Å; F158-W199 HydrophobicContact CD2-CD2 4.08Å; F158-W199 AromaticContact CD2-CE2 3.9Å; F158-W199 AromaticContact CD2-CG 3.81Å; F158-W199 HydrophobicContact CD2-CG 3.81Å; F158-W199 AromaticContact CD2-NE1 3.5Å; F158-W199 HydrophobicContact CE1-CB 4.2Å; F158-W199 HydrophobicContact CE1-CG 4.41Å; F158-W199 HydrophobicContact CE2-CB 4.29Å; F158-W199 HydrophobicContact CE2-CD2 4.31Å; F158-W199 AromaticContact CE2-CG 4Å; F158-W199 HydrophobicContact CE2-CG 4Å; F158-W199 AromaticContact CG-CD1 3.19Å; F158-W199 AromaticContact CG-CG 3.96Å; F158-W199 HydrophobicContact CG-CG 3.96Å; F158-W199 AromaticContact CG-NE1 3.48Å; F158-W199 HydrophobicContact CZ-CB 4.13Å; F158-W199 HydrophobicContact CZ-CG 4.29Å; F158-I261 HydrophobicContact CE2-CD1 4.05Å; F158-I261 HydrophobicContact CE2-CG2 4.06Å; F158-I261 HydrophobicContact CZ-CG2 4.13Å; F158-W285 AromaticContact CD1-CH2 3.46Å; F158-W285 HydrophobicContact CD1-CH2 3.46Å; F158-W285 VanDerWaalsContact CD1-CH2 3.46Å; F158-W285 AromaticContact CD1-CZ2 3.77Å; F158-W285 HydrophobicContact CD1-CZ2 3.77Å; F158-W285 HydrophobicContact CD1-CZ3 4.23Å; F158-W285 HydrophobicContact CE1-CH2 4.01Å; F158-W285 HydrophobicContact CG-CH2 4.28Å
159T93.4Very high94.4Very high24 Ų2427.4 Ų27.415%0.14716%0.158CC..  trans-88.6-11.1-174.757.50000114.6T154 V156 D161 A370T154-T159 HydrophobicContact CG2-CG2 3.98Å; V156-T159 PolarHBondContact O-N 3.37Å; V156-T159 PolarHBondContact O-OG1 2.7Å; T159-D161 PolarHBondContact O-N 3.45Å; T159-A370 HydrophobicContact CG2-CB 4.37Å
160S94.9Very high94.2Very high1 Ų128.7 Ų28.71%0.00717%0.165CC..  trans-77.564.2166.8178.30000109.6W285 N287 H378S160-W285 VanDerWaalsContact O-CD1 3.3Å; S160-N287 VanDerWaalsContact O-CB 3.25Å; S160-N287 WeakPolarHBondContact O-CB 3.2Å; S160-N287 WeakPolarHBondContact OG-CB 3.37Å; S160-H378 PolarHBondContact OG-CE1 2.73Å; S160-H378 VanDerWaalsContact OG-CE1 3.26Å
161D95.5Very high94Very high16 Ų1628.4 Ų28.49%0.08618%0.175CC..  trans-106.683.4-170-176.1-11.2000110.7T159 L163 N164 E165 W285T159-D161 PolarHBondContact O-N 3.45Å; D161-L163 PolarHBondContact O-N 3.37Å; D161-L163 PolarHBondContact OD1-N 3.36Å; D161-N164 VanDerWaalsContact CG-ND2 3.3Å; D161-N164 PolarHBondContact OD1-N 3.49Å; D161-N164 PolarHBondContact OD1-ND2 2.73Å; D161-N164 VanDerWaalsContact OD1-ND2 3.13Å; D161-N164 WeakPolarHBondContact OD2-CB 3.2Å; D161-N164 PolarHBondContact OD2-ND2 3Å; D161-E165 WeakPolarHBondContact O-CB 3.44Å; D161-E165 PolarHBondContact O-N 2.79Å; D161-W285 HydrophobicContact CB-CB 3.96Å; D161-W285 HydrophobicContact CB-CG 4.49Å; D161-W285 WeakPolarHBondContact OD1-CB 3.29Å
162W97.1Very high93.7Very high0 Ų032 Ų320%020%0.196CC..Hα-helixtrans-66-31-177.6-62.810.8000111.6Y166 V286 N287 G288 V291 F341 I345 R349 D382 R385 T386W162-Y166 PolarHBondContact O-N 3.47Å; W162-V286 WeakPolarHBondContact CB-O 3.38Å; W162-V286 PolarHBondContact N-O 2.72Å; W162-N287 HydrophobicContact CG-CB 4.48Å; W162-G288 VanDerWaalsContact CZ2-CA 3.44Å; W162-V291 HydrophobicContact CE3-CB 4.16Å; W162-V291 HydrophobicContact CE3-CG2 4.2Å; W162-V291 HydrophobicContact CH2-CB 4.45Å; W162-V291 HydrophobicContact CH2-CG1 4.02Å; W162-V291 HydrophobicContact CZ3-CB 3.71Å; W162-V291 HydrophobicContact CZ3-CG1 3.71Å; W162-V291 HydrophobicContact CZ3-CG2 3.79Å; W162-F341 HydrophobicContact CB-CE2 3.99Å; W162-F341 HydrophobicContact CB-CZ 3.62Å; W162-F341 HydrophobicContact CE3-CE1 4.04Å; W162-F341 HydrophobicContact CE3-CZ 4.06Å; W162-F341 VanDerWaalsContact O-CE2 3.3Å; W162-F341 WeakPolarHBondContact O-CE2 3.38Å; W162-I345 HydrophobicContact CB-CD1 3.58Å; W162-I345 HydrophobicContact CB-CG1 3.85Å; W162-I345 HydrophobicContact CD2-CB 4.42Å; W162-I345 HydrophobicContact CD2-CD1 4.48Å; W162-I345 HydrophobicContact CD2-CG1 4.05Å; W162-I345 HydrophobicContact CD2-CG2 3.61Å; W162-I345 HydrophobicContact CE3-CB 4.43Å; W162-I345 HydrophobicContact CE3-CG1 4.08Å; W162-I345 HydrophobicContact CE3-CG2 3.89Å; W162-I345 HydrophobicContact CG-CD1 3.9Å; W162-I345 HydrophobicContact CG-CG1 3.97Å; W162-I345 HydrophobicContact CG-CG2 4.01Å; W162-I345 HydrophobicContact CH2-CG2 4.25Å; W162-I345 HydrophobicContact CZ2-CG2 4.02Å; W162-I345 HydrophobicContact CZ3-CG2 4.18Å; W162-R349 VanDerWaalsContact CD1-NH2 3.32Å; W162-D382 HydrophobicContact CH2-CB 4.4Å; W162-D382 HydrophobicContact CZ2-CB 3.54Å; W162-D382 VanDerWaalsContact CZ2-CG 3.42Å; W162-D382 WeakPolarHBondContact CZ2-OD1 3.49Å; W162-D382 PolarHBondContact NE1-OD2 3.1Å; W162-R385 HydrophobicContact CH2-CB 4.36Å; W162-T386 WeakPolarHBondContact CH2-OG1 3.44Å
163L95.5Very high93.5Very high2 Ų232.8 Ų32.81%0.0120%0.203CC..Hα-helixtrans-64.4-57.4-177-170.858.3000109.6D161 E165 Y166 W167 Y175 F194 N284D161-L163 PolarHBondContact O-N 3.37Å; D161-L163 PolarHBondContact OD1-N 3.36Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 3.14Å; L163-Y166 PolarHBondContact O-N 3.06Å; L163-W167 VanDerWaalsContact CD1-NE1 3.3Å; L163-W167 PolarHBondContact O-N 2.92Å; L163-W167 VanDerWaalsContact O-N 3.14Å; L163-Y175 HydrophobicContact CD1-CD2 4.13Å; L163-Y175 HydrophobicContact CD1-CE2 4.14Å; L163-Y175 HydrophobicContact CD2-CD1 3.7Å; L163-Y175 HydrophobicContact CD2-CD2 3.69Å; L163-Y175 HydrophobicContact CD2-CE1 4.21Å; L163-Y175 HydrophobicContact CD2-CE2 4.22Å; L163-Y175 HydrophobicContact CD2-CG 3.38Å; L163-Y175 HydrophobicContact CG-CD2 3.67Å; L163-Y175 HydrophobicContact CG-CE2 4.19Å; L163-Y175 HydrophobicContact CG-CG 3.88Å; L163-F194 HydrophobicContact CD1-CD2 4Å; L163-F194 HydrophobicContact CD1-CE2 3.96Å; L163-F194 HydrophobicContact CD2-CD2 4.32Å; L163-N284 HydrophobicContact CD2-CB 4.3Å
164N95.1Very high93.7Very high0 Ų029 Ų290%018%0.18CC..Hα-helixtrans-72.6-27.9-179.9-67-71.9000112.9D161 Y166 W167 D168 Y175 R176 N284D161-N164 VanDerWaalsContact CG-ND2 3.3Å; D161-N164 PolarHBondContact OD1-N 3.49Å; D161-N164 PolarHBondContact OD1-ND2 2.73Å; D161-N164 VanDerWaalsContact OD1-ND2 3.13Å; D161-N164 WeakPolarHBondContact OD2-CB 3.2Å; D161-N164 PolarHBondContact OD2-ND2 3Å; N164-Y166 VanDerWaalsContact C-N 3.29Å; N164-Y166 PolarHBondContact O-N 3.24Å; N164-W167 PolarHBondContact O-N 3.13Å; N164-D168 WeakPolarHBondContact O-CB 3.4Å; N164-D168 PolarHBondContact O-N 3.29Å; N164-Y175 PolarHBondContact OD1-N 3.02Å; N164-R176 VanDerWaalsContact CB-CZ 3.44Å; N164-R176 VanDerWaalsContact CB-NH2 3.29Å; N164-N284 PolarHBondContact ND2-O 3.12Å; N164-N284 VanDerWaalsContact ND2-O 3.13Å
165E94.6Very high93.8Very high5 Ų527.9 Ų27.92%0.02317%0.171CC..Hα-helixtrans-57-42.8170.2175.9178.3164.500112.2D161 L163 A169 I345 N348 R349 P367D161-E165 WeakPolarHBondContact O-CB 3.44Å; D161-E165 PolarHBondContact O-N 2.79Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 3.14Å; E165-A169 WeakPolarHBondContact O-CB 3.38Å; E165-A169 PolarHBondContact O-N 2.76Å; E165-I345 HydrophobicContact CB-CD1 4.01Å; E165-I345 HydrophobicContact CG-CD1 3.77Å; E165-N348 WeakPolarHBondContact OE1-CB 3.1Å; E165-N348 PolarHBondContact OE1-ND2 3.48Å; E165-R349 VanDerWaalsContact CD-NH1 3.3Å; E165-R349 IonicContact OE1-CZ 3.09Å; E165-R349 IonicContact OE1-NH1 3.6Å; E165-R349 PolarHBondContact OE1-NH1 2.73Å; E165-R349 IonicContact OE1-NH2 3.59Å; E165-R349 IonicContact OE2-CZ 2.69Å; E165-R349 IonicContact OE2-NH1 3.82Å; E165-R349 PolarHBondContact OE2-NH1 2.84Å; E165-R349 IonicContact OE2-NH2 3.42Å; E165-R349 PolarHBondContact OE2-NH2 3.4Å; E165-P367 HydrophobicContact CB-CB 3.88Å; E165-P367 HydrophobicContact CB-CG 4.22Å; E165-P367 HydrophobicContact CG-CB 3.61Å; E165-P367 HydrophobicContact CG-CG 4.22Å
166Y95.7Very high94Very high11 Ų1129 Ų294%0.04317%0.172CC..Hα-helixtrans-66.6-49.5175.6171.5-110.2000111.9W162 L163 N164 D168 A169 I170 N340 F341 V344W162-Y166 PolarHBondContact O-N 3.47Å; L163-Y166 PolarHBondContact O-N 3.06Å; N164-Y166 VanDerWaalsContact C-N 3.29Å; N164-Y166 PolarHBondContact O-N 3.24Å; Y166-D168 PolarHBondContact O-N 3.3Å; Y166-A169 WeakPolarHBondContact O-CB 3.48Å; Y166-A169 PolarHBondContact O-N 3.34Å; Y166-A169 VanDerWaalsContact O-N 3.14Å; Y166-I170 HydrophobicContact CD1-CD1 4.47Å; Y166-I170 HydrophobicContact CE1-CD1 3.78Å; Y166-I170 HydrophobicContact CE2-CD1 4.36Å; Y166-I170 HydrophobicContact CE2-CG2 4.21Å; Y166-I170 PolarHBondContact O-N 3.25Å; Y166-N340 HydrophobicContact CE2-CB 4.2Å; Y166-F341 HydrophobicContact CD1-CB 4.43Å; Y166-F341 HydrophobicContact CD1-CD2 4Å; Y166-F341 HydrophobicContact CD2-CB 4.14Å; Y166-F341 HydrophobicContact CD2-CD2 4.38Å; Y166-F341 HydrophobicContact CE2-CB 4.26Å; Y166-F341 HydrophobicContact CG-CB 4.21Å; Y166-F341 AromaticContact CG-CD2 3.73Å; Y166-F341 HydrophobicContact CG-CD2 3.73Å; Y166-F341 HydrophobicContact CG-CG 4.46Å; Y166-V344 HydrophobicContact CD2-CB 4.12Å; Y166-V344 HydrophobicContact CD2-CG2 3.95Å; Y166-V344 HydrophobicContact CE2-CG2 4.32Å
167W94.4Very high94.2Very high14 Ų1427.4 Ų27.45%0.05316%0.161CC..Hα-helixtrans-68.2-35.8-175.8-66.9115000113.4L163 N164 A169 I170 A171 V172 D173 Y175 I333L163-W167 VanDerWaalsContact CD1-NE1 3.3Å; L163-W167 PolarHBondContact O-N 2.92Å; L163-W167 VanDerWaalsContact O-N 3.14Å; N164-W167 PolarHBondContact O-N 3.13Å; W167-A169 VanDerWaalsContact C-N 3.31Å; W167-A169 PolarHBondContact O-N 2.88Å; W167-I170 HydrophobicContact CE3-CD1 3.67Å; W167-I170 HydrophobicContact CE3-CG1 4.12Å; W167-I170 HydrophobicContact CZ3-CD1 3.74Å; W167-I170 PolarHBondContact O-N 3.16Å; W167-A171 WeakPolarHBondContact O-CA 3.26Å; W167-A171 PolarHBondContact O-N 3.06Å; W167-V172 HydrophobicContact CE3-CB 4.15Å; W167-V172 HydrophobicContact CE3-CG1 4.48Å; W167-V172 HydrophobicContact CZ3-CB 4.13Å; W167-V172 HydrophobicContact CZ3-CG1 4.04Å; W167-D173 WeakPolarHBondContact CB-O 3.41Å; W167-D173 HydrophobicContact CD2-CB 3.99Å; W167-D173 HydrophobicContact CE3-CB 3.67Å; W167-D173 HydrophobicContact CG-CB 4.43Å; W167-D173 HydrophobicContact CZ3-CB 4.1Å; W167-Y175 AromaticContact CD1-CD2 3.42Å; W167-Y175 VanDerWaalsContact CD1-CD2 3.42Å; W167-Y175 AromaticContact CD1-CE2 3.54Å; W167-Y175 HydrophobicContact CD2-CE2 4.37Å; W167-Y175 AromaticContact CE2-CE2 3.59Å; W167-Y175 HydrophobicContact CG-CD2 4.35Å; W167-Y175 HydrophobicContact CG-CE2 4.37Å; W167-Y175 HydrophobicContact CZ2-CE2 4.06Å; W167-Y175 AromaticContact NE1-CD2 3.44Å; W167-Y175 AromaticContact NE1-CE2 3.04Å; W167-I333 HydrophobicContact CH2-CG2 4.03Å; W167-I333 HydrophobicContact CZ2-CG2 3.9Å
168D92Very high94.3Very high66 Ų6626.9 Ų26.935%0.35316%0.16SC..Hα-helixtrans-62.8-38.9171.7-68.7-17000110.9N164 Y166 I170 A171 R176N164-D168 WeakPolarHBondContact O-CB 3.4Å; N164-D168 PolarHBondContact O-N 3.29Å; Y166-D168 PolarHBondContact O-N 3.3Å; D168-I170 VanDerWaalsContact C-N 3.35Å; D168-I170 PolarHBondContact O-N 2.95Å; D168-A171 PolarHBondContact O-N 3.36Å; D168-R176 IonicContact OD1-CZ 2.71Å; D168-R176 IonicContact OD1-NH1 3.03Å; D168-R176 PolarHBondContact OD1-NH1 2.95Å; D168-R176 IonicContact OD1-NH2 3.36Å; D168-R176 PolarHBondContact OD1-NH2 2.82Å; D168-R176 IonicContact OD2-CZ 3.53Å; D168-R176 IonicContact OD2-NH1 2.78Å; D168-R176 IonicContact OD2-NH2 3.94Å; D168-R176 PolarHBondContact OD2-NH2 2.88Å
169A91.1Very high94.5Very high65 Ų6528 Ų2854%0.53716%0.164SC..Hα-helixtrans-67.3-33.8-179.100000113E165 Y166 W167 V344E165-A169 WeakPolarHBondContact O-CB 3.38Å; E165-A169 PolarHBondContact O-N 2.76Å; Y166-A169 WeakPolarHBondContact O-CB 3.48Å; Y166-A169 PolarHBondContact O-N 3.34Å; Y166-A169 VanDerWaalsContact O-N 3.14Å; W167-A169 VanDerWaalsContact C-N 3.31Å; W167-A169 PolarHBondContact O-N 2.88Å; A169-V344 HydrophobicContact CB-CG1 3.96Å
170I91.9Very high94.7Very high69 Ų6926.9 Ų26.935%0.35416%0.157SC..Hα-helixtrans-97-8.9177.966.8169.5000113.6Y166 W167 D168 V172Y166-I170 HydrophobicContact CD1-CD1 4.47Å; Y166-I170 HydrophobicContact CE1-CD1 3.78Å; Y166-I170 HydrophobicContact CE2-CD1 4.36Å; Y166-I170 HydrophobicContact CE2-CG2 4.21Å; Y166-I170 PolarHBondContact O-N 3.25Å; W167-I170 HydrophobicContact CE3-CD1 3.67Å; W167-I170 HydrophobicContact CE3-CG1 4.12Å; W167-I170 HydrophobicContact CZ3-CD1 3.74Å; W167-I170 PolarHBondContact O-N 3.16Å; D168-I170 VanDerWaalsContact C-N 3.35Å; D168-I170 PolarHBondContact O-N 2.95Å; I170-V172 HydrophobicContact CB-CG2 4.31Å; I170-V172 HydrophobicContact CD1-CB 3.95Å; I170-V172 HydrophobicContact CD1-CG2 3.87Å; I170-V172 HydrophobicContact CG1-CB 4.02Å; I170-V172 HydrophobicContact CG1-CG2 3.93Å; I170-V172 WeakPolarHBondContact O-CG2 3.16Å; I170-V172 PolarHBondContact O-N 3.09Å
171A90.1Very high94.9Very high79 Ų7926.9 Ų26.965%0.65316%0.157SC*.THydrogen-bonded Turntrans56.230.3179.200000114.9W167 D168W167-A171 WeakPolarHBondContact O-CA 3.26Å; W167-A171 PolarHBondContact O-N 3.06Å; D168-A171 PolarHBondContact O-N 3.36Å
172V89.4Confident95Very high80 Ų8026.1 Ų26.149%0.48515%0.153SC..SBendtrans-99.3-33.2-176.4175.40000113.1R144 W167 I170R144-V172 PolarHBondContact NH1-O 3.23Å; R144-V172 PolarHBondContact NH2-O 3.44Å; W167-V172 HydrophobicContact CE3-CB 4.15Å; W167-V172 HydrophobicContact CE3-CG1 4.48Å; W167-V172 HydrophobicContact CZ3-CB 4.13Å; W167-V172 HydrophobicContact CZ3-CG1 4.04Å; I170-V172 HydrophobicContact CB-CG2 4.31Å; I170-V172 HydrophobicContact CD1-CB 3.95Å; I170-V172 HydrophobicContact CD1-CG2 3.87Å; I170-V172 HydrophobicContact CG1-CB 4.02Å; I170-V172 HydrophobicContact CG1-CG2 3.93Å; I170-V172 WeakPolarHBondContact O-CG2 3.16Å; I170-V172 PolarHBondContact O-N 3.09Å
173D91.7Very high95.1Very high47 Ų4731 Ų3125%0.25117%0.174SC..  trans-155.9-177.3-176.8-142.9-12.9000113.4H141 R144 W167H141-D173 IonicContact CE1-OD1 3.77Å; H141-D173 PolarHBondContact CE1-OD1 3.47Å; H141-D173 IonicContact ND1-OD1 3.69Å; H141-D173 PolarHBondContact ND1-OD1 3.24Å; R144-D173 IonicContact NH1-OD1 3.5Å; R144-D173 PolarHBondContact NH1-OD1 3.42Å; W167-D173 WeakPolarHBondContact CB-O 3.41Å; W167-D173 HydrophobicContact CD2-CB 3.99Å; W167-D173 HydrophobicContact CE3-CB 3.67Å; W167-D173 HydrophobicContact CG-CB 4.43Å; W167-D173 HydrophobicContact CZ3-CB 4.1Å
174D94.7Very high95.2Very high3 Ų332.9 Ų32.92%0.01619%0.194CC..  trans-151.8158.916367.6-30.5000111.4H141 R144 R176H141-D174 WeakPolarHBondContact CB-OD1 3.32Å; H141-D174 PolarHBondContact CE1-O 2.71Å; H141-D174 IonicContact CE1-OD1 3.35Å; H141-D174 IonicContact CG-OD1 3.82Å; H141-D174 PolarHBondContact ND1-O 3.48Å; H141-D174 VanDerWaalsContact ND1-O 3.08Å; H141-D174 IonicContact ND1-OD1 2.69Å; H141-D174 PolarHBondContact ND1-OD1 2.55Å; R144-D174 WeakPolarHBondContact CB-OD1 3.28Å; D174-R176 HydrophobicContact CB-CG 4.44Å
175Y96.1Very high95.4Very high22 Ų2232.9 Ų32.99%0.08619%0.194CC..  trans-112.546.3176.7-78.4-97.1000110.1L163 N164 W167 F177 V193 F194 H283 N284L163-Y175 HydrophobicContact CD1-CD2 4.13Å; L163-Y175 HydrophobicContact CD1-CE2 4.14Å; L163-Y175 HydrophobicContact CD2-CD1 3.7Å; L163-Y175 HydrophobicContact CD2-CD2 3.69Å; L163-Y175 HydrophobicContact CD2-CE1 4.21Å; L163-Y175 HydrophobicContact CD2-CE2 4.22Å; L163-Y175 HydrophobicContact CD2-CG 3.38Å; L163-Y175 HydrophobicContact CG-CD2 3.67Å; L163-Y175 HydrophobicContact CG-CE2 4.19Å; L163-Y175 HydrophobicContact CG-CG 3.88Å; N164-Y175 PolarHBondContact OD1-N 3.02Å; W167-Y175 AromaticContact CD1-CD2 3.42Å; W167-Y175 VanDerWaalsContact CD1-CD2 3.42Å; W167-Y175 AromaticContact CD1-CE2 3.54Å; W167-Y175 HydrophobicContact CD2-CE2 4.37Å; W167-Y175 AromaticContact CE2-CE2 3.59Å; W167-Y175 HydrophobicContact CG-CD2 4.35Å; W167-Y175 HydrophobicContact CG-CE2 4.37Å; W167-Y175 HydrophobicContact CZ2-CE2 4.06Å; W167-Y175 AromaticContact NE1-CD2 3.44Å; W167-Y175 AromaticContact NE1-CE2 3.04Å; Y175-F177 HydrophobicContact CD1-CE2 4.13Å; Y175-F177 AromaticContact CD1-CZ 3.97Å; Y175-F177 HydrophobicContact CD1-CZ 3.97Å; Y175-F177 HydrophobicContact CG-CZ 4.37Å; Y175-V193 HydrophobicContact CD1-CG2 3.58Å; Y175-V193 HydrophobicContact CE1-CB 4.13Å; Y175-V193 HydrophobicContact CE1-CG1 4.44Å; Y175-V193 HydrophobicContact CE1-CG2 3.34Å; Y175-F194 HydrophobicContact CE1-CE2 4.24Å; Y175-F194 HydrophobicContact CE2-CE2 4.47Å; Y175-F194 AromaticContact CZ-CE2 3.77Å; Y175-F194 VanDerWaalsContact OH-CE2 3.29Å; Y175-F194 WeakPolarHBondContact OH-CE2 3.42Å; Y175-H283 WeakPolarHBondContact O-CA 3.49Å; Y175-N284 HydrophobicContact CD1-CB 4.23Å; Y175-N284 PolarHBondContact O-N 3.33Å
176R96.4Very high95.5Very high39 Ų3934 Ų3415%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-126.3111.9-179.1-52.7171.9-179.1113.5-14.2107.8Y152 N164 D168 D174Y152-R176 WeakPolarHBondContact OH-CD 3.38Å; N164-R176 VanDerWaalsContact CB-CZ 3.44Å; N164-R176 VanDerWaalsContact CB-NH2 3.29Å; D168-R176 IonicContact OD1-CZ 2.71Å; D168-R176 IonicContact OD1-NH1 3.03Å; D168-R176 PolarHBondContact OD1-NH1 2.95Å; D168-R176 IonicContact OD1-NH2 3.36Å; D168-R176 PolarHBondContact OD1-NH2 2.82Å; D168-R176 IonicContact OD2-CZ 3.53Å; D168-R176 IonicContact OD2-NH1 2.78Å; D168-R176 IonicContact OD2-NH2 3.94Å; D168-R176 PolarHBondContact OD2-NH2 2.88Å; D174-R176 HydrophobicContact CB-CG 4.44Å
177F97.4Very high95.6Very high20 Ų2034.7 Ų34.79%0.08820%0.203CC..EExtended strand (participates in β ladder)trans-123139.4-165.3-55.9-68.9000110.8D139 W140 H141 Y175 Y179 I281 N282 N284D139-F177 HydrophobicContact CB-CD1 4.06Å; D139-F177 HydrophobicContact CB-CE1 4.33Å; W140-F177 WeakPolarHBondContact O-CA 3.25Å; H141-F177 AromaticContact CE1-CE1 3.42Å; H141-F177 VanDerWaalsContact CE1-CE1 3.42Å; H141-F177 WeakPolarHBondContact CE1-CE1 3.31Å; H141-F177 AromaticContact ND1-CE1 3.95Å; H141-F177 AromaticContact NE2-CE1 3.54Å; Y175-F177 HydrophobicContact CD1-CE2 4.13Å; Y175-F177 AromaticContact CD1-CZ 3.97Å; Y175-F177 HydrophobicContact CD1-CZ 3.97Å; Y175-F177 HydrophobicContact CG-CZ 4.37Å; F177-Y179 HydrophobicContact CB-CD2 4.19Å; F177-Y179 HydrophobicContact CB-CE2 3.43Å; F177-Y179 VanDerWaalsContact CB-CE2 3.43Å; F177-Y179 HydrophobicContact CG-CE2 4.37Å; F177-I281 CarbonylContact O-C 3.43Å; F177-I281 WeakPolarHBondContact O-CA 3.49Å; F177-N282 PolarHBondContact N-O 3.03Å; F177-N282 PolarHBondContact O-N 2.84Å; F177-N284 WeakPolarHBondContact CE2-OD1 3.2Å
178V98.4Very high95.7Very high2 Ų234.3 Ų34.31%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-102.2134.1166.1178.50000108.8W72 L137 W140 L142 M180W72-V178 HydrophobicContact CH2-CG1 4.21Å; W72-V178 HydrophobicContact CH2-CG2 3.93Å; W72-V178 HydrophobicContact CZ3-CG1 4.03Å; W72-V178 HydrophobicContact CZ3-CG2 4.3Å; L137-V178 WeakPolarHBondContact CD2-O 3.43Å; W140-V178 HydrophobicContact CE3-CB 4.18Å; W140-V178 HydrophobicContact CE3-CG1 4.19Å; W140-V178 PolarHBondContact N-O 3.01Å; W140-V178 PolarHBondContact O-N 3.02Å; L142-V178 HydrophobicContact CB-CB 4.26Å; L142-V178 HydrophobicContact CB-CG2 3.66Å; L142-V178 HydrophobicContact CD1-CB 4.5Å; L142-V178 HydrophobicContact CD1-CG2 3.99Å; L142-V178 HydrophobicContact CG-CG2 4.36Å; V178-M180 HydrophobicContact CG1-CE 3.44Å; V178-M180 VanDerWaalsContact CG1-CE 3.44Å; V178-M180 HydrophobicContact CG1-CG 3.92Å
179Y98.6Very high96Very high24 Ų2431.7 Ų31.79%0.09419%0.188CC..EExtended strand (participates in β ladder)trans-119.8134.6174-62.4-99000108.7Y136 L137 K138 D139 F177 V279 S280 N282Y136-Y179 HydrophobicContact CE2-CD1 4.4Å; Y136-Y179 WeakPolarHBondContact OH-CB 3.26Å; L137-Y179 VanDerWaalsContact O-CA 3.31Å; L137-Y179 WeakPolarHBondContact O-CA 3.22Å; K138-Y179 VanDerWaalsContact CA-CD1 3.49Å; K138-Y179 HydrophobicContact CB-CD1 3.68Å; K138-Y179 HydrophobicContact CB-CE1 3.61Å; K138-Y179 HydrophobicContact CD-CE1 4.42Å; K138-Y179 HydrophobicContact CG-CD1 3.76Å; K138-Y179 HydrophobicContact CG-CE1 4.01Å; D139-Y179 VanDerWaalsContact OD1-CE1 3.31Å; D139-Y179 WeakPolarHBondContact OD1-CE1 3.5Å; D139-Y179 VanDerWaalsContact OD1-CZ 3.25Å; D139-Y179 PolarHBondContact OD1-OH 3.21Å; F177-Y179 HydrophobicContact CB-CD2 4.19Å; F177-Y179 HydrophobicContact CB-CE2 3.43Å; F177-Y179 VanDerWaalsContact CB-CE2 3.43Å; F177-Y179 HydrophobicContact CG-CE2 4.37Å; Y179-V279 WeakPolarHBondContact O-CA 3.32Å; Y179-S280 WeakPolarHBondContact CB-OG 3.46Å; Y179-S280 PolarHBondContact N-O 2.86Å; Y179-S280 PolarHBondContact O-N 3.25Å; Y179-N282 HydrophobicContact CD2-CB 4.23Å; Y179-N282 HydrophobicContact CE2-CB 3.73Å
180M98.7Very high96.3Very high0 Ų031.6 Ų31.60%018%0.176CC..EExtended strand (participates in β ladder)trans-141.8128.3175.5-45.1-168.6174.500109.5W72 L84 F113 Y116 W120 Y136 L137 W140 V178 T278 V279W72-M180 HydrophobicContact CE3-CE 4.4Å; W72-M180 HydrophobicContact CZ3-CE 4.23Å; L84-M180 HydrophobicContact CD1-CE 4.43Å; L84-M180 HydrophobicContact CD1-SD 4.16Å; L84-M180 HydrophobicContact CD2-CE 4.02Å; F113-M180 HydrophobicContact CE2-SD 3.84Å; F113-M180 HydrophobicContact CZ-SD 3.89Å; Y116-M180 PolarHBondContact OH-O 2.98Å; W120-M180 HydrophobicContact CH2-CB 3.96Å; W120-M180 HydrophobicContact CZ3-CB 3.6Å; Y136-M180 VanDerWaalsContact CD2-O 3.25Å; Y136-M180 WeakPolarHBondContact CD2-O 3.06Å; L137-M180 HydrophobicContact CB-CB 4.38Å; L137-M180 VanDerWaalsContact CB-O 3.3Å; L137-M180 WeakPolarHBondContact CB-O 3.36Å; L137-M180 HydrophobicContact CD2-CG 4.49Å; L137-M180 PolarHBondContact N-O 2.93Å; L137-M180 PolarHBondContact O-N 3.24Å; W140-M180 HydrophobicContact CE3-CE 4.49Å; W140-M180 HydrophobicContact CZ3-CE 4Å; V178-M180 HydrophobicContact CG1-CE 3.44Å; V178-M180 VanDerWaalsContact CG1-CE 3.44Å; V178-M180 HydrophobicContact CG1-CG 3.92Å; M180-T278 WeakPolarHBondContact CA-O 3.4Å; M180-V279 HydrophobicContact CB-CG2 4.25Å; M180-V279 HydrophobicContact CE-CG1 4.07Å; M180-V279 HydrophobicContact CG-CG1 4.09Å; M180-V279 HydrophobicContact CG-CG2 4.12Å; M180-V279 HydrophobicContact SD-CG1 4.44Å; M180-V279 HydrophobicContact SD-CG2 4.27Å
181G98.2Very high96.5Very high0 Ų029.2 Ų29.20%017%0.167CC..EExtended strand (participates in β ladder)trans-167.7162.4173.900000115.8Y116 W120 T278Y116-G181 VanDerWaalsContact OH-CA 3.3Å; Y116-G181 WeakPolarHBondContact OH-CA 3.43Å; W120-G181 VanDerWaalsContact CH2-N 3.28Å; W120-G181 WeakPolarHBondContact CZ2-O 3.39Å; G181-T278 PolarHBondContact N-O 3.02Å; G181-T278 PolarHBondContact O-N 3.49Å
182P98.4Very high96.8Very high0 Ų026.4 Ų26.40%014%0.141CC..  trans-65.8161.8-17826.3-32.9000112.3W120 Y123 Y128 L135 G184 S185 D277W120-P182 HydrophobicContact CG-CB 4.48Å; W120-P182 VanDerWaalsContact NE1-CA 3.25Å; Y123-P182 HydrophobicContact CD1-CB 3.47Å; Y123-P182 VanDerWaalsContact CD1-CB 3.47Å; Y123-P182 HydrophobicContact CD1-CG 3.74Å; Y123-P182 HydrophobicContact CE1-CB 3.69Å; Y123-P182 HydrophobicContact CE1-CG 3.79Å; Y128-P182 HydrophobicContact CD1-CB 4.29Å; Y128-P182 HydrophobicContact CE1-CB 4.41Å; L135-P182 WeakPolarHBondContact O-CD 3.18Å; P182-G184 PolarHBondContact O-N 3.3Å; P182-S185 WeakPolarHBondContact O-CB 3.43Å; P182-S185 PolarHBondContact O-N 3.4Å; P182-S185 PolarHBondContact O-OG 3.36Å; P182-D277 WeakPolarHBondContact CA-OD1 3.4Å
183K98.5Very high96.9Very high103 Ų10325.9 Ų25.945%0.44814%0.138SC..THydrogen-bonded Turntrans-46.3134.1162.7173.5175.4179.4-172.90110.5Y128 S185 L275 D277Y128-K183 HydrophobicContact CD1-CB 3.76Å; Y128-K183 HydrophobicContact CE1-CB 3.51Å; Y128-K183 HydrophobicContact CE2-CD 4.33Å; Y128-K183 HydrophobicContact CG-CB 4.45Å; K183-S185 VanDerWaalsContact C-N 3.34Å; K183-L275 WeakPolarHBondContact CD-O 3.47Å; K183-L275 VanDerWaalsContact CG-O 3.3Å; K183-L275 WeakPolarHBondContact CG-O 3.16Å; K183-D277 PolarHBondContact N-OD1 3.32Å
184G97.9Very high97.1Very high42 Ų4223.8 Ų23.843%0.43313%0.127SC..THydrogen-bonded Turntrans92.8-13.8-178.600000113.8P182 N274P182-G184 PolarHBondContact O-N 3.3Å; G184-N274 PolarHBondContact N-O 2.69Å
185S98.4Very high97.2Very high0 Ų027 Ų270%014%0.139CC..  trans-68.714717277.10000111.3C134 P182 K183 N274C134-S185 WeakPolarHBondContact SG-CA 3.33Å; C134-S185 VanDerWaalsContact SG-CB 3.6Å; C134-S185 PolarHBondContact SG-N 3.03Å; P182-S185 WeakPolarHBondContact O-CB 3.43Å; P182-S185 PolarHBondContact O-N 3.4Å; P182-S185 PolarHBondContact O-OG 3.36Å; K183-S185 VanDerWaalsContact C-N 3.34Å; S185-N274 WeakPolarHBondContact O-CB 3.39Å; S185-N274 PolarHBondContact O-N 3.19Å; S185-N274 PolarHBondContact OG-ND2 2.95Å
186W98.2Very high97.3Very high29 Ų2926 Ų2611%0.1114%0.135CC..EExtended strand (participates in β ladder)trans-154.6161.8-170.772.4-75.4000111.9C98 K138 P188 F229 D230 Q271 V272 Y273C98-W186 PolarHBondContact O-NE1 3.07Å; C98-W186 PolarHBondContact SG-N 3.42Å; C98-W186 VanDerWaalsContact SG-N 3.43Å; C98-W186 PolarHBondContact SG-O 2.66Å; C98-W186 VanDerWaalsContact SG-O 3.36Å; K138-W186 WeakPolarHBondContact CE-O 3.37Å; K138-W186 PolarHBondContact NZ-O 3.47Å; W186-P188 HydrophobicContact CH2-CB 4.42Å; W186-P188 HydrophobicContact CH2-CG 4.12Å; W186-P188 HydrophobicContact CZ3-CB 4.2Å; W186-P188 HydrophobicContact CZ3-CG 4.14Å; W186-F229 AromaticContact CH2-CD1 3.69Å; W186-F229 HydrophobicContact CH2-CD1 3.69Å; W186-F229 AromaticContact CH2-CE1 3.39Å; W186-F229 HydrophobicContact CH2-CE1 3.39Å; W186-F229 HydrophobicContact CH2-CG 4.5Å; W186-F229 AromaticContact CH2-CZ 4Å; W186-F229 HydrophobicContact CH2-CZ 4Å; W186-F229 HydrophobicContact CZ2-CD1 4.2Å; W186-F229 AromaticContact CZ2-CE1 3.48Å; W186-F229 HydrophobicContact CZ2-CE1 3.48Å; W186-F229 VanDerWaalsContact CZ2-CE1 3.48Å; W186-F229 HydrophobicContact CZ2-CZ 4.03Å; W186-D230 HydrophobicContact CH2-CB 4Å; W186-D230 HydrophobicContact CZ3-CB 4.26Å; W186-Q271 HydrophobicContact CE3-CG 4.2Å; W186-Q271 HydrophobicContact CZ3-CG 4.29Å; W186-V272 CarbonylContact C-O 3.59Å; W186-V272 WeakPolarHBondContact CA-O 3.36Å; W186-V272 VanDerWaalsContact CB-O 3.25Å; W186-V272 WeakPolarHBondContact CB-O 3.38Å; W186-Y273 HydrophobicContact CB-CD1 3.46Å; W186-Y273 VanDerWaalsContact CB-CD1 3.46Å; W186-Y273 HydrophobicContact CB-CE1 3.94Å; W186-Y273 HydrophobicContact CB-CG 4.16Å; W186-Y273 HydrophobicContact CD2-CE1 4.14Å; W186-Y273 HydrophobicContact CE3-CE1 4.08Å; W186-Y273 HydrophobicContact CG-CD1 4.08Å; W186-Y273 HydrophobicContact CG-CE1 4.09Å
187T96.9Very high97.4Very high24 Ų2424.4 Ų24.415%0.14713%0.129CC..EExtended strand (participates in β ladder)trans-117.6125.5175.6-61.80000110K138 H190 Q271 V272K138-T187 WeakPolarHBondContact CE-OG1 3.25Å; K138-T187 PolarHBondContact NZ-OG1 2.82Å; K138-T187 VanDerWaalsContact NZ-OG1 3.12Å; T187-H190 VanDerWaalsContact CG2-CE1 3.44Å; T187-H190 WeakPolarHBondContact CG2-CE1 3.15Å; T187-Q271 WeakPolarHBondContact O-CG 3.37Å; T187-V272 PolarHBondContact N-O 3.41Å; T187-V272 PolarHBondContact O-N 3.4Å
188P97.3Very high97.4Very high6 Ų623.5 Ų23.54%0.03913%0.125CC..EExtended strand (participates in β ladder)trans-53.2164.2176.8-29.636.6000114.6N106 W186 H190 F229N106-P188 WeakPolarHBondContact OD1-CD 3.19Å; W186-P188 HydrophobicContact CH2-CB 4.42Å; W186-P188 HydrophobicContact CH2-CG 4.12Å; W186-P188 HydrophobicContact CZ3-CB 4.2Å; W186-P188 HydrophobicContact CZ3-CG 4.14Å; P188-H190 PolarHBondContact O-N 2.75Å; P188-H190 PolarHBondContact O-ND1 2.94Å; P188-F229 HydrophobicContact CB-CD2 3.7Å; P188-F229 HydrophobicContact CB-CE2 3.62Å; P188-F229 HydrophobicContact CB-CG 4.41Å; P188-F229 HydrophobicContact CB-CZ 4.25Å; P188-F229 WeakPolarHBondContact CB-O 3.26Å; P188-F229 HydrophobicContact CG-CD2 3.83Å; P188-F229 HydrophobicContact CG-CE1 4.34Å; P188-F229 HydrophobicContact CG-CE2 3.19Å; P188-F229 HydrophobicContact CG-CZ 3.5Å
189F97.7Very high97.4Very high11 Ų1123.4 Ų23.45%0.04812%0.124CC..EExtended strand (participates in β ladder)trans-64.1119.5177.8-173.2-121.4000111.9Y212 E217 L220 L227 P228 F229 V231 H269 H270 Q271F189-Y212 HydrophobicContact CD2-CD2 4.49Å; F189-Y212 AromaticContact CE2-CD2 3.49Å; F189-Y212 HydrophobicContact CE2-CD2 3.49Å; F189-Y212 VanDerWaalsContact CE2-CD2 3.49Å; F189-Y212 HydrophobicContact CE2-CE2 4.06Å; F189-Y212 HydrophobicContact CE2-CG 4.21Å; F189-Y212 AromaticContact CZ-CD2 3.89Å; F189-Y212 HydrophobicContact CZ-CD2 3.89Å; F189-Y212 HydrophobicContact CZ-CE2 4.48Å; F189-Y212 HydrophobicContact CZ-CG 4.22Å; F189-E217 HydrophobicContact CE1-CB 4.4Å; F189-E217 HydrophobicContact CZ-CB 4.46Å; F189-L220 HydrophobicContact CE1-CD1 3.7Å; F189-L220 HydrophobicContact CE2-CD1 4.4Å; F189-L220 HydrophobicContact CZ-CD1 3.51Å; F189-L227 HydrophobicContact CD1-CB 4.4Å; F189-L227 HydrophobicContact CE1-CD2 4.3Å; F189-P228 WeakPolarHBondContact CB-O 3.17Å; F189-P228 HydrophobicContact CD1-CG 4Å; F189-P228 HydrophobicContact CE1-CG 4.44Å; F189-F229 PolarHBondContact N-O 2.96Å; F189-F229 VanDerWaalsContact N-O 3.15Å; F189-V231 HydrophobicContact CB-CG1 3.8Å; F189-V231 HydrophobicContact CD1-CG1 3.6Å; F189-V231 HydrophobicContact CD2-CG1 3.48Å; F189-V231 VanDerWaalsContact CD2-CG1 3.48Å; F189-V231 HydrophobicContact CD2-CG2 4.29Å; F189-V231 HydrophobicContact CE1-CG1 3.93Å; F189-V231 HydrophobicContact CE2-CG1 3.83Å; F189-V231 HydrophobicContact CG-CG1 3.34Å; F189-V231 HydrophobicContact CZ-CG1 4.02Å; F189-H269 HydrophobicContact CD2-CB 4.23Å; F189-H269 HydrophobicContact CE1-CB 3.93Å; F189-H269 HydrophobicContact CE2-CB 3.36Å; F189-H269 HydrophobicContact CZ-CB 3.2Å; F189-H270 WeakPolarHBondContact CA-O 3.34Å; F189-Q271 HydrophobicContact CB-CB 4.46Å; F189-Q271 HydrophobicContact CD2-CB 4.36Å
190H96.6Very high97.4Very high63 Ų6322.2 Ų22.229%0.29212%0.12SC..EExtended strand (participates in β ladder)trans-154.8167.4-177.368.3-64.6000110.6T187 P188 H269 H270T187-H190 VanDerWaalsContact CG2-CE1 3.44Å; T187-H190 WeakPolarHBondContact CG2-CE1 3.15Å; P188-H190 PolarHBondContact O-N 2.75Å; P188-H190 PolarHBondContact O-ND1 2.94Å; H190-H269 CarbonylContact O-C 3.44Å; H190-H269 WeakPolarHBondContact O-CA 3.18Å; H190-H270 AromaticContact CE1-CD2 3.76Å; H190-H270 AromaticContact CE1-NE2 3.38Å; H190-H270 PolarHBondContact CE1-NE2 2.88Å; H190-H270 PolarHBondContact N-O 2.54Å; H190-H270 PolarHBondContact ND1-O 3Å; H190-H270 AromaticContact NE2-CE1 3.83Å; H190-H270 AromaticContact NE2-NE2 3.45Å; H190-H270 PolarHBondContact NE2-NE2 3.18Å; H190-H270 PolarHBondContact O-N 3.25Å
191A96.6Very high97.4Very high20 Ų2022.2 Ų22.217%0.16512%0.12CC..  trans-111.2155.4158.900000108.9
192D96.4Very high97.4Very high20 Ų2022.2 Ų22.211%0.10712%0.12CC..  trans-61148.7178-77.3-59.2000112.9R195 S198 H270 N284D192-R195 WeakPolarHBondContact O-CA 3.29Å; D192-R195 PolarHBondContact O-N 2.76Å; D192-S198 WeakPolarHBondContact OD2-CB 3.36Å; D192-H270 IonicContact OD2-CE1 2.88Å; D192-H270 PolarHBondContact OD2-CE1 2.93Å; D192-N284 VanDerWaalsContact CB-ND2 3.25Å; D192-N284 WeakPolarHBondContact CB-ND2 3.28Å; D192-N284 PolarHBondContact OD1-ND2 2.91Å
193V92.6Very high97.4Very high69 Ų6922.3 Ų22.342%0.41812%0.12SC..G310 helixtrans-46.6140.8174.9-67.50000111.8Y175 R195 S196 N284Y175-V193 HydrophobicContact CD1-CG2 3.58Å; Y175-V193 HydrophobicContact CE1-CB 4.13Å; Y175-V193 HydrophobicContact CE1-CG1 4.44Å; Y175-V193 HydrophobicContact CE1-CG2 3.34Å; V193-R195 PolarHBondContact O-N 2.81Å; V193-S196 WeakPolarHBondContact O-CB 3.42Å; V193-S196 PolarHBondContact O-N 2.83Å; V193-S196 PolarHBondContact O-OG 3.16Å; V193-N284 HydrophobicContact CG2-CB 4.33Å
194F95.8Very high97.4Very high3 Ų317.5 Ų17.51%0.01310%0.099CC..G310 helixtrans57.712.7-176.9-55-51.6000115.6L163 Y175 S196 M294 F297 L298 T331 I333L163-F194 HydrophobicContact CD1-CD2 4Å; L163-F194 HydrophobicContact CD1-CE2 3.96Å; L163-F194 HydrophobicContact CD2-CD2 4.32Å; Y175-F194 HydrophobicContact CE1-CE2 4.24Å; Y175-F194 HydrophobicContact CE2-CE2 4.47Å; Y175-F194 AromaticContact CZ-CE2 3.77Å; Y175-F194 VanDerWaalsContact OH-CE2 3.29Å; Y175-F194 WeakPolarHBondContact OH-CE2 3.42Å; F194-S196 PolarHBondContact O-N 3.08Å; F194-M294 HydrophobicContact CB-CB 4.48Å; F194-M294 HydrophobicContact CB-CE 4.22Å; F194-M294 HydrophobicContact CB-CG 3.93Å; F194-M294 HydrophobicContact CB-SD 4.16Å; F194-M294 HydrophobicContact CD1-CE 3.85Å; F194-M294 HydrophobicContact CD2-CE 3.99Å; F194-M294 HydrophobicContact CE1-CE 4.18Å; F194-M294 HydrophobicContact CE2-CE 4.3Å; F194-M294 HydrophobicContact CG-CE 3.76Å; F194-M294 HydrophobicContact CG-CG 4.38Å; F194-M294 HydrophobicContact CG-SD 4.33Å; F194-M294 HydrophobicContact CZ-CE 4.39Å; F194-F297 HydrophobicContact CD1-CD1 4.18Å; F194-F297 AromaticContact CD1-CE1 3.91Å; F194-F297 HydrophobicContact CD1-CE1 3.91Å; F194-L298 HydrophobicContact CD1-CD2 4.34Å; F194-L298 HydrophobicContact CE1-CD2 4.28Å; F194-T331 WeakPolarHBondContact CE1-O 3.42Å; F194-T331 WeakPolarHBondContact CZ-O 3.39Å; F194-I333 HydrophobicContact CE1-CD1 4.07Å; F194-I333 HydrophobicContact CE1-CG1 3.82Å; F194-I333 HydrophobicContact CZ-CD1 4.18Å; F194-I333 HydrophobicContact CZ-CG1 4Å; F194-I333 HydrophobicContact CZ-CG2 4.4Å
195R96.1Very high97.4Very high71 Ų7115.9 Ų15.927%0.2688%0.083SC..G310 helixtrans53.133.7-165.4-49.5-62.6-178.5171.3-2.2111D192 V193 S266 H269 I293 F297D192-R195 WeakPolarHBondContact O-CA 3.29Å; D192-R195 PolarHBondContact O-N 2.76Å; V193-R195 PolarHBondContact O-N 2.81Å; R195-S266 WeakPolarHBondContact O-CA 3.46Å; R195-S266 VanDerWaalsContact O-CB 3.29Å; R195-S266 WeakPolarHBondContact O-CB 3.43Å; R195-S266 PolarHBondContact O-OG 3.29Å; R195-H269 PolarHBondContact NH1-CE1 3.34Å; R195-H269 PolarHBondContact NH1-NE2 2.87Å; R195-I293 HydrophobicContact CB-CG2 3.78Å; R195-I293 HydrophobicContact CG-CG2 4.3Å; R195-F297 HydrophobicContact CG-CB 4.05Å; R195-F297 HydrophobicContact CG-CD2 4.11Å; R195-F297 HydrophobicContact CG-CG 4.19Å
196S97.9Very high97.5Very high0 Ų019.8 Ų19.80%010%0.097CC..  trans-59.9165.2179.154.20000111.7V193 F194 S266 N284 W285V193-S196 WeakPolarHBondContact O-CB 3.42Å; V193-S196 PolarHBondContact O-N 2.83Å; V193-S196 PolarHBondContact O-OG 3.16Å; F194-S196 PolarHBondContact O-N 3.08Å; S196-S266 WeakPolarHBondContact O-CA 3.45Å; S196-N284 PolarHBondContact OG-ND2 3.02Å; S196-W285 WeakPolarHBondContact CB-O 3.18Å
197Y98.4Very high97.5Very high5 Ų518.5 Ų18.52%0.029%0.093CC..EExtended strand (participates in β ladder)trans-70.6155156.7-68.6-47.9000109.4L50 N53 F263 P265 N284 W285 C289 N290L50-Y197 HydrophobicContact CD2-CD2 4.1Å; L50-Y197 HydrophobicContact CD2-CE1 4.47Å; L50-Y197 HydrophobicContact CD2-CE2 3.84Å; L50-Y197 PolarHBondContact O-OH 2.5Å; N53-Y197 WeakPolarHBondContact OD1-CE1 3.42Å; Y197-F263 AromaticContact CD1-CE2 3.67Å; Y197-F263 HydrophobicContact CD1-CE2 3.67Å; Y197-F263 AromaticContact CD1-CZ 3.57Å; Y197-F263 HydrophobicContact CD1-CZ 3.57Å; Y197-F263 HydrophobicContact CE1-CE2 4.36Å; Y197-F263 AromaticContact CE1-CZ 3.81Å; Y197-F263 HydrophobicContact CE1-CZ 3.81Å; Y197-F263 AromaticContact CG-CE2 3.89Å; Y197-F263 HydrophobicContact CG-CE2 3.89Å; Y197-F263 HydrophobicContact CG-CZ 4.16Å; Y197-P265 HydrophobicContact CE1-CB 4.43Å; Y197-N284 CarbonylContact O-C 3.56Å; Y197-N284 VanDerWaalsContact O-CA 3.28Å; Y197-N284 WeakPolarHBondContact O-CA 3.4Å; Y197-W285 VanDerWaalsContact CB-CE2 3.49Å; Y197-W285 WeakPolarHBondContact CB-O 3.29Å; Y197-W285 AromaticContact CD2-CE2 3.82Å; Y197-W285 HydrophobicContact CD2-CZ2 4.13Å; Y197-W285 AromaticContact CD2-NE1 3.58Å; Y197-W285 HydrophobicContact CG-CZ2 4.06Å; Y197-W285 PolarHBondContact N-O 2.96Å; Y197-W285 PolarHBondContact O-N 3.1Å; Y197-C289 HydrophobicContact CE2-CB 4.22Å; Y197-C289 VanDerWaalsContact OH-CB 3.31Å; Y197-C289 WeakPolarHBondContact OH-CB 3.44Å; Y197-N290 WeakPolarHBondContact CD2-ND2 3.45Å; Y197-N290 HydrophobicContact CE2-CB 4.05Å; Y197-N290 VanDerWaalsContact CE2-ND2 3.33Å; Y197-N290 WeakPolarHBondContact CE2-ND2 3.23Å; Y197-N290 PolarHBondContact N-ND2 3.03Å
198S97.9Very high97.6Very high1 Ų120.2 Ų20.21%0.00710%0.098CC..EExtended strand (participates in β ladder)trans-138.9152.4169-176.80000111.6D192 F263 I264 H283D192-S198 WeakPolarHBondContact OD2-CB 3.36Å; S198-F263 WeakPolarHBondContact O-CD2 3.27Å; S198-I264 PolarHBondContact N-O 2.95Å; S198-I264 PolarHBondContact O-N 3.33Å; S198-H283 CarbonylContact C-O 3.54Å; S198-H283 WeakPolarHBondContact CA-O 3.39Å; S198-H283 PolarHBondContact OG-O 2.83Å
199W98.4Very high97.6Very high0 Ų020 Ų200%010%0.097CC..EExtended strand (participates in β ladder)trans-131.5139.9168.165.5-109.3000108.1W66 Y152 F158 A201 I261 V262 I281 N282 H283 W285W66-W199 AromaticContact CH2-CH2 3.8Å; W66-W199 HydrophobicContact CH2-CH2 3.8Å; W66-W199 AromaticContact CH2-CZ3 3.77Å; W66-W199 HydrophobicContact CH2-CZ3 3.77Å; W66-W199 HydrophobicContact CZ3-CH2 4.44Å; W66-W199 HydrophobicContact CZ3-CZ3 4.3Å; Y152-W199 HydrophobicContact CD2-CH2 4.09Å; Y152-W199 HydrophobicContact CD2-CZ2 4.46Å; Y152-W199 HydrophobicContact CE2-CH2 4.12Å; Y152-W199 HydrophobicContact CE2-CZ2 4.21Å; F158-W199 VanDerWaalsContact CB-CD1 3.44Å; F158-W199 VanDerWaalsContact CB-NE1 3.32Å; F158-W199 HydrophobicContact CD1-CB 4.43Å; F158-W199 AromaticContact CD1-CD1 3.63Å; F158-W199 HydrophobicContact CD1-CG 4.26Å; F158-W199 AromaticContact CD2-CD1 3.41Å; F158-W199 VanDerWaalsContact CD2-CD1 3.41Å; F158-W199 HydrophobicContact CD2-CD2 4.08Å; F158-W199 AromaticContact CD2-CE2 3.9Å; F158-W199 AromaticContact CD2-CG 3.81Å; F158-W199 HydrophobicContact CD2-CG 3.81Å; F158-W199 AromaticContact CD2-NE1 3.5Å; F158-W199 HydrophobicContact CE1-CB 4.2Å; F158-W199 HydrophobicContact CE1-CG 4.41Å; F158-W199 HydrophobicContact CE2-CB 4.29Å; F158-W199 HydrophobicContact CE2-CD2 4.31Å; F158-W199 AromaticContact CE2-CG 4Å; F158-W199 HydrophobicContact CE2-CG 4Å; F158-W199 AromaticContact CG-CD1 3.19Å; F158-W199 AromaticContact CG-CG 3.96Å; F158-W199 HydrophobicContact CG-CG 3.96Å; F158-W199 AromaticContact CG-NE1 3.48Å; F158-W199 HydrophobicContact CZ-CB 4.13Å; F158-W199 HydrophobicContact CZ-CG 4.29Å; W199-A201 HydrophobicContact CE3-CB 4.12Å; W199-A201 HydrophobicContact CZ3-CB 3.69Å; W199-I261 HydrophobicContact CB-CG2 3.9Å; W199-I261 HydrophobicContact CD2-CG2 4.32Å; W199-I261 HydrophobicContact CE3-CG2 3.9Å; W199-I261 HydrophobicContact CG-CG2 4.38Å; W199-V262 CarbonylContact C-O 3.51Å; W199-V262 WeakPolarHBondContact CA-O 3.5Å; W199-I281 HydrophobicContact CH2-CG2 3.99Å; W199-I281 HydrophobicContact CZ3-CB 4.4Å; W199-I281 HydrophobicContact CZ3-CG2 4.1Å; W199-N282 CarbonylContact O-C 3.46Å; W199-N282 WeakPolarHBondContact O-CA 3.12Å; W199-H283 HydrophobicContact CD2-CB 3.97Å; W199-H283 VanDerWaalsContact CE2-CB 3.43Å; W199-H283 AromaticContact CE2-CD2 3.85Å; W199-H283 AromaticContact CE2-CG 3.4Å; W199-H283 VanDerWaalsContact CE2-CG 3.4Å; W199-H283 AromaticContact CE2-ND1 3.74Å; W199-H283 HydrophobicContact CG-CB 4.22Å; W199-H283 AromaticContact CH2-CD2 3.49Å; W199-H283 VanDerWaalsContact CH2-CD2 3.49Å; W199-H283 WeakPolarHBondContact CH2-CD2 3.36Å; W199-H283 AromaticContact CH2-CG 3.92Å; W199-H283 AromaticContact CH2-NE2 3.69Å; W199-H283 HydrophobicContact CZ2-CB 3.81Å; W199-H283 AromaticContact CZ2-CD2 3.26Å; W199-H283 WeakPolarHBondContact CZ2-CD2 3.45Å; W199-H283 AromaticContact CZ2-CE1 3.5Å; W199-H283 AromaticContact CZ2-CG 3.21Å; W199-H283 AromaticContact CZ2-ND1 3.38Å; W199-H283 WeakPolarHBondContact CZ2-ND1 3.36Å; W199-H283 AromaticContact CZ2-NE2 3.46Å; W199-H283 WeakPolarHBondContact CZ2-NE2 3.42Å; W199-H283 PolarHBondContact N-O 3.27Å; W199-H283 VanDerWaalsContact NE1-CB 3.32Å; W199-H283 AromaticContact NE1-CG 3.61Å; W199-H283 AromaticContact NE1-ND1 3.75Å; W199-H283 PolarHBondContact O-N 2.78Å; W199-W285 HydrophobicContact CB-CH2 4.21Å; W199-W285 HydrophobicContact CB-CZ3 3.84Å; W199-W285 AromaticContact CD1-CE3 3.76Å; W199-W285 AromaticContact CD1-CH2 3.8Å; W199-W285 AromaticContact CD1-CZ3 3.21Å; W199-W285 HydrophobicContact CG-CH2 4.44Å; W199-W285 AromaticContact CG-CZ3 3.87Å; W199-W285 HydrophobicContact CG-CZ3 3.87Å
200S98.6Very high97.6Very high0 Ų019.8 Ų19.80%010%0.096CC..EExtended strand (participates in β ladder)trans-124.8116.1176.3-173.20000109.2Q256 I261 V262 I281 N282S200-Q256 PolarHBondContact O-NE2 3.06Å; S200-I261 CarbonylContact O-C 3.52Å; S200-I261 VanDerWaalsContact O-CA 3.31Å; S200-I261 WeakPolarHBondContact O-CA 3.27Å; S200-V262 PolarHBondContact N-O 3.3Å; S200-V262 PolarHBondContact O-N 3.24Å; S200-I281 CarbonylContact C-O 3.56Å; S200-I281 WeakPolarHBondContact CA-O 3.41Å; S200-N282 WeakPolarHBondContact CB-OD1 3.3Å; S200-N282 PolarHBondContact OG-OD1 3.35Å
201A98.7Very high97.7Very high0 Ų016.8 Ų16.80%08%0.082CC..EExtended strand (participates in β ladder)trans-93.8118.5171.100000109.5T63 W66 W199 I203 E260 I261 S280 I281T63-A201 HydrophobicContact CG2-CB 4.26Å; W66-A201 HydrophobicContact CH2-CB 3.63Å; W66-A201 HydrophobicContact CZ3-CB 3.39Å; W199-A201 HydrophobicContact CE3-CB 4.12Å; W199-A201 HydrophobicContact CZ3-CB 3.69Å; A201-I203 HydrophobicContact CB-CD1 4.43Å; A201-I203 PolarHBondContact O-N 2.92Å; A201-E260 WeakPolarHBondContact CA-O 3.35Å; A201-I261 HydrophobicContact CB-CG1 3.97Å; A201-I261 HydrophobicContact CB-CG2 4.48Å; A201-S280 CarbonylContact O-C 3.42Å; A201-S280 WeakPolarHBondContact O-CA 3.43Å; A201-S280 VanDerWaalsContact O-CB 3.25Å; A201-S280 WeakPolarHBondContact O-CB 3.44Å; A201-I281 PolarHBondContact N-O 2.87Å; A201-I281 PolarHBondContact O-N 2.8Å
202N98.7Very high97.6Very high0 Ų016.2 Ų16.20%08%0.075CC..EExtended strand (participates in β ladder)trans-86.3101.5179.8-174.143.8000109.1C204 G205 Q256 E257 G259 E260 T278N202-C204 PolarHBondContact OD1-O 2.89Å; N202-C204 VanDerWaalsContact OD1-O 3.11Å; N202-G205 PolarHBondContact ND2-O 2.84Å; N202-Q256 VanDerWaalsContact CB-CD 3.49Å; N202-Q256 HydrophobicContact CB-CG 3.85Å; N202-E257 PolarHBondContact ND2-O 2.74Å; N202-G259 VanDerWaalsContact O-CA 3.28Å; N202-G259 WeakPolarHBondContact O-CA 3Å; N202-G259 PolarHBondContact O-N 3Å; N202-E260 PolarHBondContact N-O 3.06Å; N202-T278 VanDerWaalsContact OD1-CG2 3.26Å; N202-T278 WeakPolarHBondContact OD1-CG2 3.09Å
203I98.7Very high97.5Very high2 Ų216.3 Ų16.31%0.018%0.077CC..EExtended strand (participates in β ladder)trans-70-41.1-173-58.6-53.3000111.2W66 R69 W72 V73 A201 V279 I281W66-I203 HydrophobicContact CE3-CD1 3.83Å; W66-I203 HydrophobicContact CZ3-CD1 4.02Å; R69-I203 HydrophobicContact CG-CD1 4.49Å; W72-I203 HydrophobicContact CB-CG2 4.44Å; V73-I203 HydrophobicContact CG2-CG2 3.59Å; A201-I203 HydrophobicContact CB-CD1 4.43Å; A201-I203 PolarHBondContact O-N 2.92Å; I203-V279 WeakPolarHBondContact CA-O 3.37Å; I203-V279 HydrophobicContact CB-CB 4.43Å; I203-V279 HydrophobicContact CB-CG1 4.3Å; I203-V279 WeakPolarHBondContact CB-O 3.16Å; I203-V279 PolarHBondContact N-O 2.97Å; I203-I281 HydrophobicContact CD1-CD1 3.92Å; I203-I281 HydrophobicContact CD1-CG1 4.26Å; I203-I281 HydrophobicContact CG1-CD1 4.03Å; I203-I281 HydrophobicContact CG1-CG1 3.98Å
204C98.2Very high97.5Very high1 Ų115.2 Ų15.21%0.0077%0.071CC..EExtended strand (participates in β ladder)trans-151.4164.2169.867.90000110.7V73 N202 T278 V279V73-C204 HydrophobicContact CG1-CB 3.86Å; V73-C204 HydrophobicContact CG2-CB 3.87Å; N202-C204 PolarHBondContact OD1-O 2.89Å; N202-C204 VanDerWaalsContact OD1-O 3.11Å; C204-T278 WeakPolarHBondContact O-CA 3.37Å; C204-V279 PolarHBondContact N-O 2.98Å; C204-V279 PolarHBondContact O-N 3.36Å
205G98.2Very high97.3Very high8 Ų816.5 Ų16.58%0.0829%0.085CC..SBendtrans86.7-161-176.100000112.3N202 A258 D277N202-G205 PolarHBondContact ND2-O 2.84Å; G205-A258 PolarHBondContact O-N 2.82Å; G205-D277 VanDerWaalsContact CA-O 3.3Å; G205-D277 WeakPolarHBondContact CA-O 3.5Å
206R98.6Very high97.3Very high82 Ų8214 Ų1431%0.3098%0.077SC..  trans-145.8134.4-174.7-170.1-179.8-169.3-167.87.1110.3Q256 E257 L275 E276R206-Q256 WeakPolarHBondContact CA-O 3.08Å; R206-E257 IonicContact CZ-OE1 3.79Å; R206-E257 IonicContact NE-OE1 3.31Å; R206-E257 PolarHBondContact NE-OE1 2.95Å; R206-E257 IonicContact NE-OE2 3.16Å; R206-E257 PolarHBondContact NE-OE2 2.84Å; R206-E257 IonicContact NH2-OE1 3.93Å; R206-E257 PolarHBondContact NH2-OE1 3.28Å; R206-L275 HydrophobicContact CB-CB 4.31Å; R206-L275 HydrophobicContact CG-CB 4.49Å; R206-L275 HydrophobicContact CG-CD1 4.28Å; R206-L275 PolarHBondContact O-N 3.35Å; R206-E276 HydrophobicContact CB-CB 4.46Å; R206-E276 HydrophobicContact CB-CG 4.23Å
207K98.8Very high97.1Very high3 Ų315 Ų151%0.0138%0.081CC..EExtended strand (participates in β ladder)trans-118.7146.5179.7-61.5-170.2174.8-174.90112.6W209 L255 Q256 V272 Y273 N274 T278 S280K207-W209 HydrophobicContact CD-CZ2 4.19Å; K207-L255 WeakPolarHBondContact O-CA 3.29Å; K207-Q256 HydrophobicContact CB-CB 4.25Å; K207-Q256 PolarHBondContact N-O 2.94Å; K207-Q256 PolarHBondContact O-N 3.27Å; K207-V272 HydrophobicContact CB-CG1 4.35Å; K207-V272 HydrophobicContact CD-CG1 4.04Å; K207-Y273 CarbonylContact C-O 3.54Å; K207-Y273 VanDerWaalsContact CA-O 3.26Å; K207-Y273 WeakPolarHBondContact CA-O 3.37Å; K207-N274 VanDerWaalsContact CE-OD1 3.26Å; K207-N274 WeakPolarHBondContact CE-OD1 3.46Å; K207-N274 WeakPolarHBondContact CG-OD1 3.48Å; K207-T278 HydrophobicContact CD-CG2 4.33Å; K207-T278 HydrophobicContact CG-CG2 4.07Å; K207-S280 PolarHBondContact NZ-OG 3.29Å
208K98.8Very high97Very high59 Ų5918.1 Ų18.126%0.25710%0.096SC..EExtended strand (participates in β ladder)trans-111.4123.4166.5-179.2175.9-177.3173.90109.2E253 I254 L255 V272 Y273 L275K208-E253 WeakPolarHBondContact CE-OE2 3.47Å; K208-E253 IonicContact NZ-OE2 2.76Å; K208-E253 PolarHBondContact NZ-OE2 3.42Å; K208-I254 CarbonylContact C-O 3.54Å; K208-I254 WeakPolarHBondContact CA-O 3.42Å; K208-L255 HydrophobicContact CB-CD2 3.91Å; K208-L255 HydrophobicContact CD-CD2 4.41Å; K208-L255 HydrophobicContact CG-CD2 3.99Å; K208-V272 CarbonylContact O-C 3.56Å; K208-V272 WeakPolarHBondContact O-CA 3.27Å; K208-Y273 PolarHBondContact N-O 2.88Å; K208-Y273 PolarHBondContact O-N 3.16Å; K208-L275 HydrophobicContact CB-CD1 4.07Å; K208-L275 HydrophobicContact CB-CD2 4.07Å; K208-L275 HydrophobicContact CB-CG 4.11Å
209W98.6Very high96.9Very high3 Ų321.1 Ų21.11%0.01111%0.108CC..EExtended strand (participates in β ladder)trans-108.9140.2174.4-55.271.7000110.5K207 L211 E253 I254 I264 H270 Q271 V272K207-W209 HydrophobicContact CD-CZ2 4.19Å; W209-L211 HydrophobicContact CB-CD1 3.33Å; W209-L211 HydrophobicContact CG-CD1 4.31Å; W209-E253 WeakPolarHBondContact O-CA 3.5Å; W209-I254 HydrophobicContact CB-CB 4.14Å; W209-I254 PolarHBondContact N-O 2.82Å; W209-I254 PolarHBondContact O-N 3.01Å; W209-I264 HydrophobicContact CD2-CD1 4.42Å; W209-I264 HydrophobicContact CE3-CD1 3.67Å; W209-I264 HydrophobicContact CE3-CG1 4.41Å; W209-I264 HydrophobicContact CH2-CD1 4.46Å; W209-I264 HydrophobicContact CH2-CG1 4.47Å; W209-I264 HydrophobicContact CZ3-CD1 3.69Å; W209-I264 HydrophobicContact CZ3-CG1 3.92Å; W209-H270 AromaticContact CE3-CD2 3.87Å; W209-H270 AromaticContact CZ3-CD2 3.64Å; W209-H270 AromaticContact CZ3-NE2 3.91Å; W209-Q271 WeakPolarHBondContact CA-O 3.21Å; W209-V272 HydrophobicContact CD2-CB 4.44Å; W209-V272 HydrophobicContact CD2-CG1 3.85Å; W209-V272 HydrophobicContact CD2-CG2 3.8Å; W209-V272 HydrophobicContact CE3-CB 4.38Å; W209-V272 HydrophobicContact CE3-CG1 4.22Å; W209-V272 HydrophobicContact CE3-CG2 3.29Å; W209-V272 HydrophobicContact CG-CG1 4.27Å; W209-V272 HydrophobicContact CH2-CG1 4.37Å; W209-V272 HydrophobicContact CH2-CG2 3.96Å; W209-V272 HydrophobicContact CZ2-CG1 4.04Å; W209-V272 HydrophobicContact CZ2-CG2 4.41Å; W209-V272 HydrophobicContact CZ3-CG1 4.46Å; W209-V272 HydrophobicContact CZ3-CG2 3.39Å
210L98.2Very high96.8Very high6 Ų621.1 Ų21.13%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-116.1111.4170.1-57179.2000107.4V231 T232 P251 E253 H270 Q271 Y273L210-V231 HydrophobicContact CD1-CG2 3.89Å; L210-T232 HydrophobicContact CD1-CG2 3.44Å; L210-T232 VanDerWaalsContact CD1-CG2 3.44Å; L210-P251 HydrophobicContact CB-CB 3.96Å; L210-P251 HydrophobicContact CB-CG 4.29Å; L210-P251 HydrophobicContact CD2-CB 4.41Å; L210-P251 HydrophobicContact CD2-CG 4.02Å; L210-E253 HydrophobicContact CD2-CG 3.75Å; L210-H270 CarbonylContact O-C 3.54Å; L210-H270 WeakPolarHBondContact O-CA 3.43Å; L210-H270 WeakPolarHBondContact O-CB 3.4Å; L210-Q271 HydrophobicContact CB-CB 4.39Å; L210-Q271 PolarHBondContact N-O 2.82Å; L210-Q271 PolarHBondContact O-N 3.08Å; L210-Y273 HydrophobicContact CD1-CE2 4.11Å
211L97.5Very high96.7Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-112.5132.1-173.4-81.881.9000111.1P55 W209 P251 V252 I254 I264 W268 H270P55-L211 HydrophobicContact CB-CD2 4.1Å; P55-L211 HydrophobicContact CG-CD2 4.49Å; W209-L211 HydrophobicContact CB-CD1 3.33Å; W209-L211 HydrophobicContact CG-CD1 4.31Å; L211-P251 CarbonylContact O-C 3.58Å; L211-P251 WeakPolarHBondContact O-CA 3.48Å; L211-V252 HydrophobicContact CB-CB 4.09Å; L211-V252 PolarHBondContact N-O 3Å; L211-V252 PolarHBondContact O-N 2.85Å; L211-I254 HydrophobicContact CD1-CD1 3.89Å; L211-I254 HydrophobicContact CD1-CG1 4.37Å; L211-I254 HydrophobicContact CD2-CD1 4.16Å; L211-I264 HydrophobicContact CD1-CD1 4.47Å; L211-I264 HydrophobicContact CD2-CD1 3.84Å; L211-I264 HydrophobicContact CG-CD1 4.39Å; L211-W268 HydrophobicContact CB-CE3 3.85Å; L211-W268 HydrophobicContact CB-CZ3 4.09Å; L211-W268 HydrophobicContact CD2-CE3 4.01Å; L211-W268 HydrophobicContact CD2-CZ3 4.46Å; L211-W268 HydrophobicContact CG-CE3 4.44Å; L211-H270 HydrophobicContact CG-CB 4.09Å
212Y95.6Very high96.6Very high8 Ų825.1 Ų25.13%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-115.5124.2173.5-72.1-94.7000109.5F189 Q216 L220 V231 Q249 P251 W268 H269F189-Y212 HydrophobicContact CD2-CD2 4.49Å; F189-Y212 AromaticContact CE2-CD2 3.49Å; F189-Y212 HydrophobicContact CE2-CD2 3.49Å; F189-Y212 VanDerWaalsContact CE2-CD2 3.49Å; F189-Y212 HydrophobicContact CE2-CE2 4.06Å; F189-Y212 HydrophobicContact CE2-CG 4.21Å; F189-Y212 AromaticContact CZ-CD2 3.89Å; F189-Y212 HydrophobicContact CZ-CD2 3.89Å; F189-Y212 HydrophobicContact CZ-CE2 4.48Å; F189-Y212 HydrophobicContact CZ-CG 4.22Å; Y212-Q216 HydrophobicContact CD1-CB 4Å; Y212-L220 HydrophobicContact CD1-CD1 3.86Å; Y212-L220 HydrophobicContact CD2-CD1 4.2Å; Y212-L220 HydrophobicContact CE1-CD1 3.77Å; Y212-L220 HydrophobicContact CE1-CD2 4.28Å; Y212-L220 HydrophobicContact CE1-CG 4.47Å; Y212-L220 HydrophobicContact CE2-CD1 4.09Å; Y212-L220 HydrophobicContact CG-CD1 4.05Å; Y212-V231 HydrophobicContact CE2-CB 4.18Å; Y212-V231 HydrophobicContact CE2-CG1 4.17Å; Y212-V231 HydrophobicContact CE2-CG2 4.13Å; Y212-Q249 WeakPolarHBondContact CE1-O 3.29Å; Y212-P251 HydrophobicContact CD2-CB 4.07Å; Y212-P251 HydrophobicContact CE1-CB 4.3Å; Y212-P251 HydrophobicContact CE2-CB 3.59Å; Y212-P251 HydrophobicContact CE2-CG 4.23Å; Y212-P251 WeakPolarHBondContact OH-CD 3.39Å; Y212-W268 WeakPolarHBondContact O-CA 3.43Å; Y212-H269 PolarHBondContact N-O 2.87Å; Y212-H269 PolarHBondContact O-N 3.15Å; Y212-H269 VanDerWaalsContact O-N 3.15Å
213P93.5Very high96.4Very high22 Ų2233 Ų3314%0.14316%0.156CC..  trans-64.2151.5176.424.5-30.8000110.9G215 Q216 W268P213-G215 PolarHBondContact O-N 3.09Å; P213-Q216 HydrophobicContact CG-CB 4.48Å; P213-Q216 HydrophobicContact CG-CG 3.66Å; P213-Q216 WeakPolarHBondContact O-CB 3.43Å; P213-Q216 PolarHBondContact O-N 2.92Å; P213-W268 HydrophobicContact CB-CD2 4.36Å; P213-W268 HydrophobicContact CB-CE3 4.27Å; P213-W268 HydrophobicContact CB-CH2 3.72Å; P213-W268 HydrophobicContact CB-CZ2 3.79Å; P213-W268 HydrophobicContact CB-CZ3 3.98Å; P213-W268 HydrophobicContact CG-CH2 4.37Å; P213-W268 HydrophobicContact CG-CZ3 4.44Å
214P93Very high96.2Very high45 Ų4539.1 Ų39.129%0.29218%0.184SC..THydrogen-bonded Turntrans-49.5134.1179.3-26.231.1000112.6W268P214-W268 VanDerWaalsContact CD-CD1 3.49Å
215G92.2Very high96Very high30 Ų3041 Ų4131%0.30920%0.204SC..THydrogen-bonded Turntrans91.8-19.5-174.400000114.6P213 E217 E218P213-G215 PolarHBondContact O-N 3.09Å; G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 WeakPolarHBondContact CA-OE2 3.34Å; G215-E217 PolarHBondContact N-OE1 2.81Å; G215-E217 PolarHBondContact N-OE2 2.82Å; G215-E218 WeakPolarHBondContact O-CB 3.36Å; G215-E218 PolarHBondContact O-N 2.98Å
216Q94.1Very high95.8Very high18 Ų1844.3 Ų44.38%0.08422%0.22CC..THydrogen-bonded Turntrans-72.1-28.1175.4-74.4-65-46.100112.7Y212 P213 E218 Y219Y212-Q216 HydrophobicContact CD1-CB 4Å; P213-Q216 HydrophobicContact CG-CB 4.48Å; P213-Q216 HydrophobicContact CG-CG 3.66Å; P213-Q216 WeakPolarHBondContact O-CB 3.43Å; P213-Q216 PolarHBondContact O-N 2.92Å; Q216-E218 PolarHBondContact O-N 2.99Å; Q216-Y219 PolarHBondContact O-N 2.84Å; Q216-Y219 VanDerWaalsContact O-N 3.13Å
217E94.7Very high95.7Very high21 Ų2142.6 Ų42.610%0.09822%0.216CC..Hα-helixtrans-58.2-27.3174.569.3-83.9-170.400113F189 G215 Y219 L220 K221 L227 H269F189-E217 HydrophobicContact CE1-CB 4.4Å; F189-E217 HydrophobicContact CZ-CB 4.46Å; G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 WeakPolarHBondContact CA-OE2 3.34Å; G215-E217 PolarHBondContact N-OE1 2.81Å; G215-E217 PolarHBondContact N-OE2 2.82Å; E217-Y219 PolarHBondContact O-N 3.37Å; E217-L220 WeakPolarHBondContact O-CA 3.48Å; E217-L220 WeakPolarHBondContact O-CB 3.36Å; E217-L220 PolarHBondContact O-N 2.6Å; E217-K221 PolarHBondContact O-N 2.8Å; E217-L227 HydrophobicContact CB-CD2 3.78Å; E217-L227 HydrophobicContact CG-CD2 4.37Å; E217-L227 WeakPolarHBondContact O-CD2 3.44Å; E217-H269 VanDerWaalsContact CD-ND1 3.29Å; E217-H269 WeakPolarHBondContact CG-CE1 2.99Å; E217-H269 IonicContact OE1-CE1 3.59Å; E217-H269 PolarHBondContact OE1-CE1 2.8Å; E217-H269 IonicContact OE1-ND1 3.31Å; E217-H269 IonicContact OE2-CE1 2.75Å; E217-H269 IonicContact OE2-ND1 2.65Å; E217-H269 PolarHBondContact OE2-ND1 3.13Å
218E95.5Very high95.5Very high71 Ų7142.6 Ų42.633%0.33222%0.217SC..Hα-helixtrans-65.8-24.9179.1-64.6-57.813100112.7G215 Q216 K221 R244G215-E218 WeakPolarHBondContact O-CB 3.36Å; G215-E218 PolarHBondContact O-N 2.98Å; Q216-E218 PolarHBondContact O-N 2.99Å; E218-K221 VanDerWaalsContact OE1-CE 3.26Å; E218-K221 WeakPolarHBondContact OE1-CE 3.46Å; E218-K221 IonicContact OE1-NZ 2.73Å; E218-K221 PolarHBondContact OE1-NZ 3.02Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.59Å; E218-K221 PolarHBondContact OE2-NZ 3.04Å; E218-R244 PolarHBondContact O-NH1 3.45Å
219Y96.3Very high95.4Very high65 Ų6541.2 Ų41.226%0.25521%0.211SC..Hα-helixtrans-83.9-17.9173.7-55.8-71.7000112.3Q216 E217 R244 Y245 Q247Q216-Y219 PolarHBondContact O-N 2.84Å; Q216-Y219 VanDerWaalsContact O-N 3.13Å; E217-Y219 PolarHBondContact O-N 3.37Å; Y219-R244 HydrophobicContact CD1-CB 4.31Å; Y219-R244 CarbonylContact O-C 3.55Å; Y219-R244 VanDerWaalsContact O-C 3.23Å; Y219-Y245 VanDerWaalsContact O-CA 3.28Å; Y219-Y245 WeakPolarHBondContact O-CA 3.45Å; Y219-Y245 PolarHBondContact O-N 2.96Å; Y219-Q247 HydrophobicContact CD1-CB 3.55Å; Y219-Q247 HydrophobicContact CE1-CB 3.86Å; Y219-Q247 HydrophobicContact CG-CB 4.25Å
220L96.6Very high95.3Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-90-9.8179.3-57.5178.8000112.7F189 Y212 E217 P228 V231 L236 Y242 Y245 S248F189-L220 HydrophobicContact CE1-CD1 3.7Å; F189-L220 HydrophobicContact CE2-CD1 4.4Å; F189-L220 HydrophobicContact CZ-CD1 3.51Å; Y212-L220 HydrophobicContact CD1-CD1 3.86Å; Y212-L220 HydrophobicContact CD2-CD1 4.2Å; Y212-L220 HydrophobicContact CE1-CD1 3.77Å; Y212-L220 HydrophobicContact CE1-CD2 4.28Å; Y212-L220 HydrophobicContact CE1-CG 4.47Å; Y212-L220 HydrophobicContact CE2-CD1 4.09Å; Y212-L220 HydrophobicContact CG-CD1 4.05Å; E217-L220 WeakPolarHBondContact O-CA 3.48Å; E217-L220 WeakPolarHBondContact O-CB 3.36Å; E217-L220 PolarHBondContact O-N 2.6Å; L220-P228 HydrophobicContact CB-CG 4.19Å; L220-P228 WeakPolarHBondContact O-CD 3.4Å; L220-V231 HydrophobicContact CD1-CG1 4.06Å; L220-L236 HydrophobicContact CD2-CD2 4.35Å; L220-Y242 WeakPolarHBondContact O-CD1 3.3Å; L220-Y242 WeakPolarHBondContact O-CE1 3.41Å; L220-Y245 HydrophobicContact CD2-CD2 3.69Å; L220-Y245 HydrophobicContact CD2-CE2 3.83Å; L220-S248 WeakPolarHBondContact CD2-OG 3.23Å
221K96.8Very high95.2Very high56 Ų5642.9 Ų42.924%0.24322%0.22CC..  trans-64.1141178.5-73.1177.5178.91720112.1E217 E218 G225 N226 L227E217-K221 PolarHBondContact O-N 2.8Å; E218-K221 VanDerWaalsContact OE1-CE 3.26Å; E218-K221 WeakPolarHBondContact OE1-CE 3.46Å; E218-K221 IonicContact OE1-NZ 2.73Å; E218-K221 PolarHBondContact OE1-NZ 3.02Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.59Å; E218-K221 PolarHBondContact OE2-NZ 3.04Å; K221-G225 WeakPolarHBondContact CD-O 3.31Å; K221-N226 CarbonylContact C-O 3.56Å; K221-N226 VanDerWaalsContact CA-O 3.27Å; K221-N226 WeakPolarHBondContact CA-O 3.26Å; K221-L227 HydrophobicContact CG-CD2 3.72Å; K221-L227 HydrophobicContact CG-CG 4.5Å
222D96Very high95.1Very high28 Ų2846.5 Ų46.515%0.1524%0.243CC..  trans-69.2173.9167.875.88.9000111H224 G225 N226 V241 Y242D222-H224 PolarHBondContact O-N 3.36Å; D222-H224 VanDerWaalsContact OD1-C 3.26Å; D222-H224 VanDerWaalsContact OD1-CA 3.23Å; D222-H224 WeakPolarHBondContact OD1-CA 3.45Å; D222-H224 VanDerWaalsContact OD1-CB 3.32Å; D222-H224 WeakPolarHBondContact OD1-CB 3.47Å; D222-H224 PolarHBondContact OD1-N 2.77Å; D222-G225 PolarHBondContact O-N 3.43Å; D222-G225 PolarHBondContact OD1-N 3.14Å; D222-N226 PolarHBondContact N-O 3.19Å; D222-N226 PolarHBondContact OD1-N 3.27Å; D222-N226 PolarHBondContact OD2-ND2 3.19Å; D222-V241 CarbonylContact C-O 3.57Å; D222-V241 WeakPolarHBondContact CA-O 3.31Å; D222-V241 HydrophobicContact CB-CG1 4.3Å; D222-Y242 HydrophobicContact CB-CD1 4.09Å; D222-Y242 HydrophobicContact CB-CE1 3.79Å
223R95.6Very high95Very high166 Ų16647.8 Ų47.863%0.62625%0.254SS*.THydrogen-bonded Turntrans-60.8-13.1177.270.4-179.9-174.2-175.1-0.3114.7N240 V241R223-N240 WeakPolarHBondContact CD-O 3.45Å; R223-V241 PolarHBondContact N-O 2.81Å
224H94.3Very high95Very high129 Ų12952.4 Ų52.460%0.59728%0.284SS*.THydrogen-bonded Turntrans-99.5-1.1177-58.8-66.6000112.1D222 N226D222-H224 PolarHBondContact O-N 3.36Å; D222-H224 VanDerWaalsContact OD1-C 3.26Å; D222-H224 VanDerWaalsContact OD1-CA 3.23Å; D222-H224 WeakPolarHBondContact OD1-CA 3.45Å; D222-H224 VanDerWaalsContact OD1-CB 3.32Å; D222-H224 WeakPolarHBondContact OD1-CB 3.47Å; D222-H224 PolarHBondContact OD1-N 2.77Å; H224-N226 WeakPolarHBondContact CB-ND2 3.41Å
225G93.5Very high95Very high40 Ų4052.3 Ų52.341%0.41229%0.292SS..SBendtrans876.2-179.400000114.4K221 D222K221-G225 WeakPolarHBondContact CD-O 3.31Å; D222-G225 PolarHBondContact O-N 3.43Å; D222-G225 PolarHBondContact OD1-N 3.14Å
226N94.4Very high95Very high78 Ų7851 Ų5142%0.41728%0.278SS..PPolyproline II helixtrans-84.5143.3179.7-54.2-62.2000111.3K221 D222 H224K221-N226 CarbonylContact C-O 3.56Å; K221-N226 VanDerWaalsContact CA-O 3.27Å; K221-N226 WeakPolarHBondContact CA-O 3.26Å; D222-N226 PolarHBondContact N-O 3.19Å; D222-N226 PolarHBondContact OD1-N 3.27Å; D222-N226 PolarHBondContact OD2-ND2 3.19Å; H224-N226 WeakPolarHBondContact CB-ND2 3.41Å
227L95.4Very high94.9Very high46 Ų4656.4 Ų56.424%0.24130%0.303CS..PPolyproline II helixtrans-73.9150170.5-66.2176.1000111.3F189 E217 K221F189-L227 HydrophobicContact CD1-CB 4.4Å; F189-L227 HydrophobicContact CE1-CD2 4.3Å; E217-L227 HydrophobicContact CB-CD2 3.78Å; E217-L227 HydrophobicContact CG-CD2 4.37Å; E217-L227 WeakPolarHBondContact O-CD2 3.44Å; K221-L227 HydrophobicContact CG-CD2 3.72Å; K221-L227 HydrophobicContact CG-CG 4.5Å
228P95.5Very high95Very high3 Ų358.7 Ų58.72%0.01932%0.316CS..PPolyproline II helixtrans-69.2147.7177.530.9-34.3000109.6F189 L220 V231 L236 Y242F189-P228 WeakPolarHBondContact CB-O 3.17Å; F189-P228 HydrophobicContact CD1-CG 4Å; F189-P228 HydrophobicContact CE1-CG 4.44Å; L220-P228 HydrophobicContact CB-CG 4.19Å; L220-P228 WeakPolarHBondContact O-CD 3.4Å; P228-V231 HydrophobicContact CG-CG1 3.71Å; P228-L236 HydrophobicContact CB-CD1 4.26Å; P228-L236 HydrophobicContact CB-CD2 4.31Å; P228-L236 HydrophobicContact CB-CG 4.48Å; P228-L236 HydrophobicContact CG-CD2 4.22Å; P228-Y242 HydrophobicContact CB-CE1 4.11Å
229F95.8Very high94.9Very high30 Ų3059.1 Ų59.113%0.13233%0.327CS..SBendtrans-73.2-40173.1-180-110.4000112K101 N104 W186 P188 F189 Q271K101-F229 HydrophobicContact CB-CE1 4.1Å; K101-F229 HydrophobicContact CB-CE2 4.25Å; K101-F229 HydrophobicContact CB-CZ 3.93Å; K101-F229 HydrophobicContact CD-CB 4.07Å; K101-F229 HydrophobicContact CD-CD1 4Å; K101-F229 HydrophobicContact CD-CD2 4.04Å; K101-F229 HydrophobicContact CD-CE1 4.39Å; K101-F229 HydrophobicContact CD-CE2 4.42Å; K101-F229 HydrophobicContact CD-CG 3.78Å; K101-F229 HydrophobicContact CG-CD1 4.32Å; K101-F229 HydrophobicContact CG-CD2 3.92Å; K101-F229 HydrophobicContact CG-CE1 4.26Å; K101-F229 HydrophobicContact CG-CE2 3.85Å; K101-F229 HydrophobicContact CG-CG 4.13Å; K101-F229 HydrophobicContact CG-CZ 4.03Å; N104-F229 HydrophobicContact CB-CD2 4.46Å; N104-F229 WeakPolarHBondContact O-CD2 3.36Å; W186-F229 AromaticContact CH2-CD1 3.69Å; W186-F229 HydrophobicContact CH2-CD1 3.69Å; W186-F229 AromaticContact CH2-CE1 3.39Å; W186-F229 HydrophobicContact CH2-CE1 3.39Å; W186-F229 HydrophobicContact CH2-CG 4.5Å; W186-F229 AromaticContact CH2-CZ 4Å; W186-F229 HydrophobicContact CH2-CZ 4Å; W186-F229 HydrophobicContact CZ2-CD1 4.2Å; W186-F229 AromaticContact CZ2-CE1 3.48Å; W186-F229 HydrophobicContact CZ2-CE1 3.48Å; W186-F229 VanDerWaalsContact CZ2-CE1 3.48Å; W186-F229 HydrophobicContact CZ2-CZ 4.03Å; P188-F229 HydrophobicContact CB-CD2 3.7Å; P188-F229 HydrophobicContact CB-CE2 3.62Å; P188-F229 HydrophobicContact CB-CG 4.41Å; P188-F229 HydrophobicContact CB-CZ 4.25Å; P188-F229 WeakPolarHBondContact CB-O 3.26Å; P188-F229 HydrophobicContact CG-CD2 3.83Å; P188-F229 HydrophobicContact CG-CE1 4.34Å; P188-F229 HydrophobicContact CG-CE2 3.19Å; P188-F229 HydrophobicContact CG-CZ 3.5Å; F189-F229 PolarHBondContact N-O 2.96Å; F189-F229 VanDerWaalsContact N-O 3.15Å; F229-Q271 PolarHBondContact O-OE1 2.97Å
230D96.1Very high94.9Very high39 Ų3961.5 Ų61.521%0.20934%0.344CS..  trans-127.6111.8177.6179-1.4000109.2W186 T232 A233 L236 Q271 Y273W186-D230 HydrophobicContact CH2-CB 4Å; W186-D230 HydrophobicContact CZ3-CB 4.26Å; D230-T232 PolarHBondContact O-N 3.09Å; D230-T232 WeakPolarHBondContact OD1-CA 3.26Å; D230-T232 WeakPolarHBondContact OD1-CB 3.42Å; D230-T232 PolarHBondContact OD1-N 3.23Å; D230-T232 PolarHBondContact OD1-OG1 3.12Å; D230-T232 PolarHBondContact OD2-OG1 2.87Å; D230-A233 HydrophobicContact CB-CB 4.17Å; D230-A233 WeakPolarHBondContact O-CB 3.5Å; D230-A233 PolarHBondContact O-N 3.27Å; D230-L236 WeakPolarHBondContact O-CD1 3.36Å; D230-Q271 VanDerWaalsContact CA-OE1 3.29Å; D230-Q271 PolarHBondContact OD1-NE2 3.38Å; D230-Y273 PolarHBondContact OD1-OH 2.97Å
231V96Very high94.9Very high5 Ų564 Ų643%0.0336%0.359CS..THydrogen-bonded Turntrans-70.3-7.7179.4-72.20000114.2F189 L210 Y212 L220 P228 Q271F189-V231 HydrophobicContact CB-CG1 3.8Å; F189-V231 HydrophobicContact CD1-CG1 3.6Å; F189-V231 HydrophobicContact CD2-CG1 3.48Å; F189-V231 VanDerWaalsContact CD2-CG1 3.48Å; F189-V231 HydrophobicContact CD2-CG2 4.29Å; F189-V231 HydrophobicContact CE1-CG1 3.93Å; F189-V231 HydrophobicContact CE2-CG1 3.83Å; F189-V231 HydrophobicContact CG-CG1 3.34Å; F189-V231 HydrophobicContact CZ-CG1 4.02Å; L210-V231 HydrophobicContact CD1-CG2 3.89Å; Y212-V231 HydrophobicContact CE2-CB 4.18Å; Y212-V231 HydrophobicContact CE2-CG1 4.17Å; Y212-V231 HydrophobicContact CE2-CG2 4.13Å; L220-V231 HydrophobicContact CD1-CG1 4.06Å; P228-V231 HydrophobicContact CG-CG1 3.71Å; V231-Q271 HydrophobicContact CG2-CB 3.95Å; V231-Q271 HydrophobicContact CG2-CG 4.39Å; V231-Q271 VanDerWaalsContact N-OE1 3.14Å
232T95.5Very high94.9Very high77 Ų7763 Ų6347%0.47235%0.354SS..THydrogen-bonded Turntrans-98.6-4.7175.673.60000113L210 D230 Y273L210-T232 HydrophobicContact CD1-CG2 3.44Å; L210-T232 VanDerWaalsContact CD1-CG2 3.44Å; D230-T232 PolarHBondContact O-N 3.09Å; D230-T232 WeakPolarHBondContact OD1-CA 3.26Å; D230-T232 WeakPolarHBondContact OD1-CB 3.42Å; D230-T232 PolarHBondContact OD1-N 3.23Å; D230-T232 PolarHBondContact OD1-OG1 3.12Å; D230-T232 PolarHBondContact OD2-OG1 2.87Å; T232-Y273 HydrophobicContact CG2-CE2 4.47Å; T232-Y273 PolarHBondContact OG1-OH 2.87Å
233A94.7Very high94.9Very high34 Ų3464.9 Ų64.928%0.28137%0.368SS..  trans-63.3135.1-176.400000111.5D230 G235 L236D230-A233 HydrophobicContact CB-CB 4.17Å; D230-A233 WeakPolarHBondContact O-CB 3.5Å; D230-A233 PolarHBondContact O-N 3.27Å; A233-G235 PolarHBondContact O-N 3.22Å; A233-L236 HydrophobicContact CB-CD1 3.77Å; A233-L236 WeakPolarHBondContact O-CD1 3.08Å; A233-L236 PolarHBondContact O-N 3Å; A233-L236 VanDerWaalsContact O-N 3.09Å
234P92.5Very high94.9Very high119 Ų11961.6 Ų61.677%0.77336%0.355SS*.G310 helixtrans-57.3-26.7-179.4-26.434000114L236 Q237P234-L236 PolarHBondContact O-N 3.15Å; P234-Q237 PolarHBondContact O-N 2.8Å
235G93Very high95Very high43 Ų4357.8 Ų57.844%0.44334%0.336SS..G310 helixtrans-62.8-17.4179.300000114.7A233 Q237 D238 Y242A233-G235 PolarHBondContact O-N 3.22Å; G235-Q237 PolarHBondContact O-N 3.1Å; G235-D238 PolarHBondContact O-N 3.44Å; G235-D238 VanDerWaalsContact O-N 3.1Å; G235-Y242 WeakPolarHBondContact O-CD2 3.25Å
236L93.2Very high94.9Very high3 Ų361.6 Ų61.62%0.01635%0.351CS..G310 helixtrans-62.3-21.8175.5-82.385.8000112.9L220 P228 D230 A233 P234 D238 Y242 Y245L220-L236 HydrophobicContact CD2-CD2 4.35Å; P228-L236 HydrophobicContact CB-CD1 4.26Å; P228-L236 HydrophobicContact CB-CD2 4.31Å; P228-L236 HydrophobicContact CB-CG 4.48Å; P228-L236 HydrophobicContact CG-CD2 4.22Å; D230-L236 WeakPolarHBondContact O-CD1 3.36Å; A233-L236 HydrophobicContact CB-CD1 3.77Å; A233-L236 WeakPolarHBondContact O-CD1 3.08Å; A233-L236 PolarHBondContact O-N 3Å; A233-L236 VanDerWaalsContact O-N 3.09Å; P234-L236 PolarHBondContact O-N 3.15Å; L236-D238 VanDerWaalsContact C-N 3.32Å; L236-Y242 HydrophobicContact CG-CD2 4.45Å; L236-Y242 HydrophobicContact CG-CE2 4.31Å; L236-Y245 HydrophobicContact CB-CD1 4.48Å; L236-Y245 HydrophobicContact CB-CD2 3.84Å; L236-Y245 HydrophobicContact CB-CE1 4.39Å; L236-Y245 HydrophobicContact CB-CE2 3.71Å; L236-Y245 HydrophobicContact CB-CG 4.22Å; L236-Y245 HydrophobicContact CD2-CD2 3.73Å; L236-Y245 HydrophobicContact CD2-CE2 3.44Å; L236-Y245 VanDerWaalsContact CD2-CE2 3.44Å; L236-Y245 HydrophobicContact CG-CD2 4.3Å; L236-Y245 HydrophobicContact CG-CE2 4.19Å; L236-Y245 WeakPolarHBondContact O-CB 3.3Å; L236-Y245 VanDerWaalsContact O-CD1 3.29Å; L236-Y245 WeakPolarHBondContact O-CD1 3.42Å; L236-Y245 VanDerWaalsContact O-CG 3.22Å
237Q91.9Very high94.9Very high131 Ų13162.7 Ų62.761%0.61235%0.354SS*.G310 helixtrans-79.4-11.2177.8-60.6-71.5-11.500113.4P234 G235 S239 Y245P234-Q237 PolarHBondContact O-N 2.8Å; G235-Q237 PolarHBondContact O-N 3.1Å; Q237-S239 PolarHBondContact O-N 3.27Å; Q237-S239 VanDerWaalsContact O-N 3.15Å; Q237-Y245 HydrophobicContact CG-CE1 4.44Å; Q237-Y245 VanDerWaalsContact NE2-CE1 3.32Å
238D95.9Very high94.8Very high69 Ų6961.5 Ų61.537%0.36935%0.349SS..  trans-75.5103.7176.6-174-13.3000110.1G235 L236 N240 V241 Y242G235-D238 PolarHBondContact O-N 3.44Å; G235-D238 VanDerWaalsContact O-N 3.1Å; L236-D238 VanDerWaalsContact C-N 3.32Å; D238-N240 PolarHBondContact O-N 3.4Å; D238-N240 VanDerWaalsContact O-N 3.1Å; D238-N240 VanDerWaalsContact OD1-CB 3.28Å; D238-N240 WeakPolarHBondContact OD1-CB 3.5Å; D238-N240 PolarHBondContact OD1-N 3.39Å; D238-N240 PolarHBondContact OD1-ND2 3.42Å; D238-N240 VanDerWaalsContact OD1-ND2 3.07Å; D238-V241 HydrophobicContact CB-CB 4.36Å; D238-V241 HydrophobicContact CB-CG2 4.2Å; D238-V241 PolarHBondContact O-N 3.19Å; D238-Y242 PolarHBondContact O-N 3.14Å
239S94.9Very high94.5Very high80 Ų8067 Ų6756%0.55938%0.375SS*.THydrogen-bonded Turntrans-62.6-16.6-179.959.90000114.2Q237 P243Q237-S239 PolarHBondContact O-N 3.27Å; Q237-S239 VanDerWaalsContact O-N 3.15Å; S239-P243 VanDerWaalsContact O-CA 3.28Å; S239-P243 WeakPolarHBondContact O-CA 3.5Å
240N95.8Very high94.3Very high115 Ų11570.5 Ų70.562%0.61540%0.4SS*.THydrogen-bonded Turntrans-78-25.6173.8-57.1-62.1000112.1R223 D238R223-N240 WeakPolarHBondContact CD-O 3.45Å; D238-N240 PolarHBondContact O-N 3.4Å; D238-N240 VanDerWaalsContact O-N 3.1Å; D238-N240 VanDerWaalsContact OD1-CB 3.28Å; D238-N240 WeakPolarHBondContact OD1-CB 3.5Å; D238-N240 PolarHBondContact OD1-N 3.39Å; D238-N240 PolarHBondContact OD1-ND2 3.42Å; D238-N240 VanDerWaalsContact OD1-ND2 3.07Å
241V95.9Very high94.2Very high52 Ų5270 Ų7032%0.31540%0.399SS..THydrogen-bonded Turntrans-96.2-47.6178.6-175.30000110D222 R223 D238 P243D222-V241 CarbonylContact C-O 3.57Å; D222-V241 WeakPolarHBondContact CA-O 3.31Å; D222-V241 HydrophobicContact CB-CG1 4.3Å; R223-V241 PolarHBondContact N-O 2.81Å; D238-V241 HydrophobicContact CB-CB 4.36Å; D238-V241 HydrophobicContact CB-CG2 4.2Å; D238-V241 PolarHBondContact O-N 3.19Å; V241-P243 VanDerWaalsContact O-CD 3.26Å; V241-P243 WeakPolarHBondContact O-CD 3.18Å
242Y96.7Very high94.2Very high36 Ų3670.3 Ų70.314%0.14140%0.401CS..  trans-118.176.4-178.4-64-84.8000110.9L220 D222 P228 G235 L236 D238 R244 Y245L220-Y242 WeakPolarHBondContact O-CD1 3.3Å; L220-Y242 WeakPolarHBondContact O-CE1 3.41Å; D222-Y242 HydrophobicContact CB-CD1 4.09Å; D222-Y242 HydrophobicContact CB-CE1 3.79Å; P228-Y242 HydrophobicContact CB-CE1 4.11Å; G235-Y242 WeakPolarHBondContact O-CD2 3.25Å; L236-Y242 HydrophobicContact CG-CD2 4.45Å; L236-Y242 HydrophobicContact CG-CE2 4.31Å; D238-Y242 PolarHBondContact O-N 3.14Å; Y242-R244 PolarHBondContact O-N 3.19Å; Y242-Y245 PolarHBondContact O-N 3.47Å
243P96.4Very high94.3Very high68 Ų6872.1 Ų72.144%0.44240%0.404SS..THydrogen-bonded Turntrans-65.4-18.4-169.525.8-35.6000114.4S239 V241S239-P243 VanDerWaalsContact O-CA 3.28Å; S239-P243 WeakPolarHBondContact O-CA 3.5Å; V241-P243 VanDerWaalsContact O-CD 3.26Å; V241-P243 WeakPolarHBondContact O-CD 3.18Å
244R96.3Very high94.4Very high96 Ų9670.7 Ų70.736%0.36239%0.392SS..THydrogen-bonded Turntrans-108.9-0.7-176.3-63.1-178.169.8-166.91.9113.9E218 Y219 Y242 T246 Q247E218-R244 PolarHBondContact O-NH1 3.45Å; Y219-R244 HydrophobicContact CD1-CB 4.31Å; Y219-R244 CarbonylContact O-C 3.55Å; Y219-R244 VanDerWaalsContact O-C 3.23Å; Y242-R244 PolarHBondContact O-N 3.19Å; R244-T246 VanDerWaalsContact C-N 3.28Å; R244-T246 PolarHBondContact O-N 3.25Å; R244-Q247 VanDerWaalsContact O-CB 3.31Å; R244-Q247 WeakPolarHBondContact O-CB 3.5Å; R244-Q247 PolarHBondContact O-N 2.99Å
245Y94.9Very high94.7Very high50 Ų5068.9 Ų68.920%0.19638%0.375CS..G310 helixtrans-58-38.2-171.8176.2-100.7000113.4Y219 L220 L236 Q237 Y242 Q247 S248Y219-Y245 VanDerWaalsContact O-CA 3.28Å; Y219-Y245 WeakPolarHBondContact O-CA 3.45Å; Y219-Y245 PolarHBondContact O-N 2.96Å; L220-Y245 HydrophobicContact CD2-CD2 3.69Å; L220-Y245 HydrophobicContact CD2-CE2 3.83Å; L236-Y245 HydrophobicContact CB-CD1 4.48Å; L236-Y245 HydrophobicContact CB-CD2 3.84Å; L236-Y245 HydrophobicContact CB-CE1 4.39Å; L236-Y245 HydrophobicContact CB-CE2 3.71Å; L236-Y245 HydrophobicContact CB-CG 4.22Å; L236-Y245 HydrophobicContact CD2-CD2 3.73Å; L236-Y245 HydrophobicContact CD2-CE2 3.44Å; L236-Y245 VanDerWaalsContact CD2-CE2 3.44Å; L236-Y245 HydrophobicContact CG-CD2 4.3Å; L236-Y245 HydrophobicContact CG-CE2 4.19Å; L236-Y245 WeakPolarHBondContact O-CB 3.3Å; L236-Y245 VanDerWaalsContact O-CD1 3.29Å; L236-Y245 WeakPolarHBondContact O-CD1 3.42Å; L236-Y245 VanDerWaalsContact O-CG 3.22Å; Q237-Y245 HydrophobicContact CG-CE1 4.44Å; Q237-Y245 VanDerWaalsContact NE2-CE1 3.32Å; Y242-Y245 PolarHBondContact O-N 3.47Å; Y245-Q247 PolarHBondContact O-N 3.29Å; Y245-S248 WeakPolarHBondContact O-CB 3.19Å; Y245-S248 PolarHBondContact O-N 3.26Å
246T92.9Very high95Very high119 Ų11966.9 Ų66.973%0.7335%0.354SS*.G310 helixtrans-64.7-11.9178.556.30000114.4R244R244-T246 VanDerWaalsContact C-N 3.28Å; R244-T246 PolarHBondContact O-N 3.25Å
247Q94.1Very high95.2Very high102 Ų10270.2 Ų70.248%0.47737%0.37SS..G310 helixtrans-91.6-13.3174.7-56169.725.600112.2Y219 R244 Y245Y219-Q247 HydrophobicContact CD1-CB 3.55Å; Y219-Q247 HydrophobicContact CE1-CB 3.86Å; Y219-Q247 HydrophobicContact CG-CB 4.25Å; R244-Q247 VanDerWaalsContact O-CB 3.31Å; R244-Q247 WeakPolarHBondContact O-CB 3.5Å; R244-Q247 PolarHBondContact O-N 2.99Å; Y245-Q247 PolarHBondContact O-N 3.29Å
248S91.9Very high95.6Very high20 Ų2066.1 Ų66.114%0.1436%0.359CS..SBendtrans-70.6144.7178.7-168.90000111L220 Y245L220-S248 WeakPolarHBondContact CD2-OG 3.23Å; Y245-S248 WeakPolarHBondContact O-CB 3.19Å; Y245-S248 PolarHBondContact O-N 3.26Å
249Q90.3Very high95.7Very high119 Ų11962.9 Ų62.956%0.55634%0.341SS*.PPolyproline II helixtrans-81.1152.5168.8-62-58.6-47.600110.6Y212Y212-Q249 WeakPolarHBondContact CE1-O 3.29Å
250P91.5Very high95.9Very high103 Ų10360.2 Ų60.267%0.66932%0.32SS*.PPolyproline II helixtrans-55.5149.1169.4-23.533.9000111.7
251P94.9Very high96Very high28 Ų2854.8 Ų54.818%0.18229%0.291CS..PPolyproline II helixtrans-64.5152.1175.426.3-30.5000110.8L210 L211 Y212 E253L210-P251 HydrophobicContact CB-CB 3.96Å; L210-P251 HydrophobicContact CB-CG 4.29Å; L210-P251 HydrophobicContact CD2-CB 4.41Å; L210-P251 HydrophobicContact CD2-CG 4.02Å; L211-P251 CarbonylContact O-C 3.58Å; L211-P251 WeakPolarHBondContact O-CA 3.48Å; Y212-P251 HydrophobicContact CD2-CB 4.07Å; Y212-P251 HydrophobicContact CE1-CB 4.3Å; Y212-P251 HydrophobicContact CE2-CB 3.59Å; Y212-P251 HydrophobicContact CE2-CG 4.23Å; Y212-P251 WeakPolarHBondContact OH-CD 3.39Å; P251-E253 HydrophobicContact CG-CG 4.48Å; P251-E253 PolarHBondContact O-N 3.26Å
252V95.8Very high96.1Very high13 Ų1352.3 Ų52.38%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-72.4116.7161.4177.80000107.5L26 V31 L211 W268L26-V252 HydrophobicContact CD1-CG2 3.88Å; V31-V252 HydrophobicContact CG2-CG1 3.28Å; L211-V252 HydrophobicContact CB-CB 4.09Å; L211-V252 PolarHBondContact N-O 3Å; L211-V252 PolarHBondContact O-N 2.85Å; V252-W268 HydrophobicContact CG2-CZ3 4.24Å
253E96.7Very high96.2Very high115 Ų11550.6 Ų50.654%0.53727%0.269SS..EExtended strand (participates in β ladder)trans-93.4127.9179.3-60.6-165.4-142.900110.8K208 W209 L210 P251K208-E253 WeakPolarHBondContact CE-OE2 3.47Å; K208-E253 IonicContact NZ-OE2 2.76Å; K208-E253 PolarHBondContact NZ-OE2 3.42Å; W209-E253 WeakPolarHBondContact O-CA 3.5Å; L210-E253 HydrophobicContact CD2-CG 3.75Å; P251-E253 HydrophobicContact CG-CG 4.48Å; P251-E253 PolarHBondContact O-N 3.26Å
254I97.9Very high96.3Very high4 Ų447.4 Ų47.42%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-119.8126.4172.7-60.6170000108.9V31 I57 K208 W209 L211 V262V31-I254 HydrophobicContact CB-CD1 4.5Å; V31-I254 HydrophobicContact CB-CG1 4.43Å; V31-I254 HydrophobicContact CG1-CD1 4Å; V31-I254 HydrophobicContact CG1-CG1 4.39Å; V31-I254 HydrophobicContact CG2-CD1 4.02Å; V31-I254 HydrophobicContact CG2-CG1 3.92Å; I57-I254 HydrophobicContact CD1-CG2 3.51Å; I57-I254 HydrophobicContact CG1-CG2 4.12Å; K208-I254 CarbonylContact C-O 3.54Å; K208-I254 WeakPolarHBondContact CA-O 3.42Å; W209-I254 HydrophobicContact CB-CB 4.14Å; W209-I254 PolarHBondContact N-O 2.82Å; W209-I254 PolarHBondContact O-N 3.01Å; L211-I254 HydrophobicContact CD1-CD1 3.89Å; L211-I254 HydrophobicContact CD1-CG1 4.37Å; L211-I254 HydrophobicContact CD2-CD1 4.16Å; I254-V262 HydrophobicContact CD1-CG1 3.91Å; I254-V262 HydrophobicContact CG2-CG2 3.98Å
255L98.3Very high96.3Very high81 Ų8142.9 Ų42.942%0.42423%0.231SC..EExtended strand (participates in β ladder)trans-98.4111.5164.1-65.8175.8000107.5K207 K208 L275K207-L255 WeakPolarHBondContact O-CA 3.29Å; K208-L255 HydrophobicContact CB-CD2 3.91Å; K208-L255 HydrophobicContact CD-CD2 4.41Å; K208-L255 HydrophobicContact CG-CD2 3.99Å; L255-L275 HydrophobicContact CD2-CD1 3.92Å
256Q98.6Very high96.5Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-98.9122.2-179.4-179.7-175.220.500109.3S200 N202 R206 K207 E260 V262S200-Q256 PolarHBondContact O-NE2 3.06Å; N202-Q256 VanDerWaalsContact CB-CD 3.49Å; N202-Q256 HydrophobicContact CB-CG 3.85Å; R206-Q256 WeakPolarHBondContact CA-O 3.08Å; K207-Q256 HydrophobicContact CB-CB 4.25Å; K207-Q256 PolarHBondContact N-O 2.94Å; K207-Q256 PolarHBondContact O-N 3.27Å; Q256-E260 HydrophobicContact CG-CB 4.04Å; Q256-E260 PolarHBondContact NE2-O 3.06Å; Q256-V262 HydrophobicContact CB-CG2 3.86Å; Q256-V262 VanDerWaalsContact CD-CG2 3.45Å; Q256-V262 HydrophobicContact CG-CG2 3.72Å
257E98.7Very high96.6Very high73 Ų7335.3 Ų35.334%0.34119%0.192SC..PPolyproline II helixtrans-90.3173.5179.2-56.5-58.5156.200111.8N202 R206 G259 E260N202-E257 PolarHBondContact ND2-O 2.74Å; R206-E257 IonicContact CZ-OE1 3.79Å; R206-E257 IonicContact NE-OE1 3.31Å; R206-E257 PolarHBondContact NE-OE1 2.95Å; R206-E257 IonicContact NE-OE2 3.16Å; R206-E257 PolarHBondContact NE-OE2 2.84Å; R206-E257 IonicContact NH2-OE1 3.93Å; R206-E257 PolarHBondContact NH2-OE1 3.28Å; E257-G259 PolarHBondContact O-N 2.91Å; E257-E260 HydrophobicContact CB-CG 4.35Å; E257-E260 PolarHBondContact N-OE2 3.39Å; E257-E260 PolarHBondContact O-N 3.16Å
258A98.6Very high96.8Very high46 Ų4630.7 Ų30.738%0.3817%0.17SC..THydrogen-bonded Turntrans-64.1131178.600000111.7G205G205-A258 PolarHBondContact O-N 2.82Å
259G98.2Very high97Very high0 Ų030 Ų300%017%0.165CC..THydrogen-bonded Turntrans90.1-18.7-17800000115.7A60 T63 R69 N202 E257A60-G259 WeakPolarHBondContact CA-O 3.39Å; T63-G259 WeakPolarHBondContact CG2-O 3.28Å; T63-G259 PolarHBondContact OG1-O 2.84Å; R69-G259 VanDerWaalsContact CZ-CA 3.46Å; N202-G259 VanDerWaalsContact O-CA 3.28Å; N202-G259 WeakPolarHBondContact O-CA 3Å; N202-G259 PolarHBondContact O-N 3Å; E257-G259 PolarHBondContact O-N 2.91Å
260E98.8Very high97.4Very high25 Ų2524.5 Ų24.512%0.11714%0.139CC..  trans-73.6152.7-174.6-63-179.716000112F33 I57 F58 A201 N202 Q256 E257F33-E260 HydrophobicContact CE2-CG 4.48Å; F33-E260 WeakPolarHBondContact CE2-OE1 3.32Å; I57-E260 HydrophobicContact CG2-CB 4.12Å; F58-E260 VanDerWaalsContact O-CA 3.29Å; F58-E260 WeakPolarHBondContact O-CA 3.33Å; F58-E260 WeakPolarHBondContact O-CB 3.35Å; A201-E260 WeakPolarHBondContact CA-O 3.35Å; N202-E260 PolarHBondContact N-O 3.06Å; Q256-E260 HydrophobicContact CG-CB 4.04Å; Q256-E260 PolarHBondContact NE2-O 3.06Å; E257-E260 HydrophobicContact CB-CG 4.35Å; E257-E260 PolarHBondContact N-OE2 3.39Å; E257-E260 PolarHBondContact O-N 3.16Å
261I98.8Very high97.7Very high1 Ų119.6 Ų19.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-112.5124.9172.7-43.9178000108.9I57 F58 F62 T63 W66 P155 F158 W199 S200 A201I57-I261 CarbonylContact C-O 3.54Å; I57-I261 WeakPolarHBondContact CA-O 3.32Å; F58-I261 HydrophobicContact CB-CB 4.05Å; F58-I261 HydrophobicContact CB-CG1 4.39Å; F58-I261 HydrophobicContact CD2-CB 4.44Å; F58-I261 PolarHBondContact N-O 3.49Å; F58-I261 PolarHBondContact O-N 2.87Å; F62-I261 HydrophobicContact CB-CD1 4.15Å; T63-I261 HydrophobicContact CG2-CD1 3.6Å; T63-I261 HydrophobicContact CG2-CG1 3.55Å; W66-I261 HydrophobicContact CH2-CD1 4.22Å; W66-I261 HydrophobicContact CZ2-CD1 4.3Å; P155-I261 HydrophobicContact CG-CD1 4.16Å; F158-I261 HydrophobicContact CE2-CD1 4.05Å; F158-I261 HydrophobicContact CE2-CG2 4.06Å; F158-I261 HydrophobicContact CZ-CG2 4.13Å; W199-I261 HydrophobicContact CB-CG2 3.9Å; W199-I261 HydrophobicContact CD2-CG2 4.32Å; W199-I261 HydrophobicContact CE3-CG2 3.9Å; W199-I261 HydrophobicContact CG-CG2 4.38Å; S200-I261 CarbonylContact O-C 3.52Å; S200-I261 VanDerWaalsContact O-CA 3.31Å; S200-I261 WeakPolarHBondContact O-CA 3.27Å; A201-I261 HydrophobicContact CB-CG1 3.97Å; A201-I261 HydrophobicContact CB-CG2 4.48Å
262V98.7Very high97.9Very high0 Ų018.6 Ų18.60%010%0.101CC..EExtended strand (participates in β ladder)trans-95.4128.5169.4178.20000108.7I57 W199 S200 I254 Q256 I264I57-V262 HydrophobicContact CG1-CG2 4.35Å; W199-V262 CarbonylContact C-O 3.51Å; W199-V262 WeakPolarHBondContact CA-O 3.5Å; S200-V262 PolarHBondContact N-O 3.3Å; S200-V262 PolarHBondContact O-N 3.24Å; I254-V262 HydrophobicContact CD1-CG1 3.91Å; I254-V262 HydrophobicContact CG2-CG2 3.98Å; Q256-V262 HydrophobicContact CB-CG2 3.86Å; Q256-V262 VanDerWaalsContact CD-CG2 3.45Å; Q256-V262 HydrophobicContact CG-CG2 3.72Å; V262-I264 HydrophobicContact CG1-CD1 3.53Å; V262-I264 HydrophobicContact CG1-CG1 4.37Å
263F98.6Very high98Very high0 Ų020.3 Ų20.30%011%0.106CC..EExtended strand (participates in β ladder)trans-90120.9167.4169.7-124.2000110.2F45 L50 R54 P55 C56 F58 Y197 S198 P265 W285F45-F263 HydrophobicContact CE2-CB 4.5Å; F45-F263 AromaticContact CE2-CD1 3.82Å; F45-F263 HydrophobicContact CE2-CD1 3.82Å; F45-F263 HydrophobicContact CE2-CE1 4.18Å; F45-F263 HydrophobicContact CE2-CG 4.05Å; F45-F263 AromaticContact CZ-CD1 3.96Å; F45-F263 HydrophobicContact CZ-CD1 3.96Å; F45-F263 HydrophobicContact CZ-CD2 4.01Å; F45-F263 HydrophobicContact CZ-CE1 4.09Å; F45-F263 HydrophobicContact CZ-CE2 4.13Å; F45-F263 AromaticContact CZ-CG 3.91Å; F45-F263 HydrophobicContact CZ-CG 3.91Å; F45-F263 HydrophobicContact CZ-CZ 4.18Å; L50-F263 HydrophobicContact CD2-CE1 4.39Å; L50-F263 HydrophobicContact CD2-CE2 4.07Å; L50-F263 HydrophobicContact CD2-CZ 3.67Å; R54-F263 VanDerWaalsContact O-CD1 3.26Å; R54-F263 WeakPolarHBondContact O-CD1 3.44Å; R54-F263 WeakPolarHBondContact O-CE1 3.42Å; P55-F263 WeakPolarHBondContact CA-O 3.39Å; P55-F263 WeakPolarHBondContact CB-O 3.3Å; C56-F263 PolarHBondContact O-N 3.18Å; F58-F263 HydrophobicContact CE2-CB 4.4Å; Y197-F263 AromaticContact CD1-CE2 3.67Å; Y197-F263 HydrophobicContact CD1-CE2 3.67Å; Y197-F263 AromaticContact CD1-CZ 3.57Å; Y197-F263 HydrophobicContact CD1-CZ 3.57Å; Y197-F263 HydrophobicContact CE1-CE2 4.36Å; Y197-F263 AromaticContact CE1-CZ 3.81Å; Y197-F263 HydrophobicContact CE1-CZ 3.81Å; Y197-F263 AromaticContact CG-CE2 3.89Å; Y197-F263 HydrophobicContact CG-CE2 3.89Å; Y197-F263 HydrophobicContact CG-CZ 4.16Å; S198-F263 WeakPolarHBondContact O-CD2 3.27Å; F263-P265 HydrophobicContact CD1-CG 4.42Å; F263-P265 HydrophobicContact CE1-CB 4.17Å; F263-P265 HydrophobicContact CE1-CG 4.04Å; F263-P265 HydrophobicContact CZ-CB 4.15Å; F263-P265 HydrophobicContact CZ-CG 4.43Å; F263-W285 AromaticContact CD2-CH2 3.53Å; F263-W285 HydrophobicContact CD2-CH2 3.53Å; F263-W285 HydrophobicContact CD2-CZ2 4.16Å; F263-W285 HydrophobicContact CD2-CZ3 4.44Å; F263-W285 AromaticContact CE2-CH2 3.52Å; F263-W285 HydrophobicContact CE2-CH2 3.52Å; F263-W285 AromaticContact CE2-CZ2 3.74Å; F263-W285 HydrophobicContact CE2-CZ2 3.74Å
264I98.1Very high98.1Very high0 Ų014.9 Ų14.90%08%0.081CC..EExtended strand (participates in β ladder)trans-101.8116.6175.6-51.3-61000108.6S198 W209 L211 V262 W268S198-I264 PolarHBondContact N-O 2.95Å; S198-I264 PolarHBondContact O-N 3.33Å; W209-I264 HydrophobicContact CD2-CD1 4.42Å; W209-I264 HydrophobicContact CE3-CD1 3.67Å; W209-I264 HydrophobicContact CE3-CG1 4.41Å; W209-I264 HydrophobicContact CH2-CD1 4.46Å; W209-I264 HydrophobicContact CH2-CG1 4.47Å; W209-I264 HydrophobicContact CZ3-CD1 3.69Å; W209-I264 HydrophobicContact CZ3-CG1 3.92Å; L211-I264 HydrophobicContact CD1-CD1 4.47Å; L211-I264 HydrophobicContact CD2-CD1 3.84Å; L211-I264 HydrophobicContact CG-CD1 4.39Å; V262-I264 HydrophobicContact CG1-CD1 3.53Å; V262-I264 HydrophobicContact CG1-CG1 4.37Å; I264-W268 HydrophobicContact CG2-CB 4.26Å
265P96.9Very high98.2Very high1 Ų117.6 Ų17.61%0.00610%0.095CC..PPolyproline II helixtrans-77.8167-177.4-8.424.5000112.8N53 P55 Y197 F263 G267 W268N53-P265 VanDerWaalsContact C-CB 3.46Å; N53-P265 HydrophobicContact CB-CB 4.41Å; N53-P265 WeakPolarHBondContact O-CB 3.46Å; N53-P265 WeakPolarHBondContact OD1-CB 3.18Å; P55-P265 HydrophobicContact CB-CG 4.09Å; Y197-P265 HydrophobicContact CE1-CB 4.43Å; F263-P265 HydrophobicContact CD1-CG 4.42Å; F263-P265 HydrophobicContact CE1-CB 4.17Å; F263-P265 HydrophobicContact CE1-CG 4.04Å; F263-P265 HydrophobicContact CZ-CB 4.15Å; F263-P265 HydrophobicContact CZ-CG 4.43Å; P265-G267 PolarHBondContact O-N 3.22Å; P265-W268 VanDerWaalsContact CB-CD1 3.43Å; P265-W268 HydrophobicContact CB-CG 4.22Å; P265-W268 HydrophobicContact CG-CD2 4.25Å; P265-W268 HydrophobicContact CG-CG 4.14Å; P265-W268 WeakPolarHBondContact O-CB 3.45Å; P265-W268 PolarHBondContact O-N 3.11Å
266S97.5Very high98.2Very high1 Ų117.4 Ų17.41%0.0079%0.092CC..THydrogen-bonded Turntrans-58.7125.9-175.8177.30000111.7N53 R195 S196 W268 I293N53-S266 PolarHBondContact ND2-O 2.92Å; N53-S266 WeakPolarHBondContact OD1-CB 3.26Å; N53-S266 PolarHBondContact OD1-N 2.87Å; R195-S266 WeakPolarHBondContact O-CA 3.46Å; R195-S266 VanDerWaalsContact O-CB 3.29Å; R195-S266 WeakPolarHBondContact O-CB 3.43Å; R195-S266 PolarHBondContact O-OG 3.29Å; S196-S266 WeakPolarHBondContact O-CA 3.45Å; S266-W268 PolarHBondContact O-N 2.7Å; S266-I293 WeakPolarHBondContact OG-CD1 3.3Å
267G96.1Very high98.2Very high9 Ų917.8 Ų17.89%0.0939%0.094CC..THydrogen-bonded Turntrans74.35176.100000115.7P265 H269P265-G267 PolarHBondContact O-N 3.22Å; G267-H269 PolarHBondContact O-N 2.7Å; G267-H269 PolarHBondContact O-ND1 3.28Å
268W97.1Very high98.2Very high6 Ų614.4 Ų14.42%0.0238%0.078CC..  trans-71114.3174.5-77.864.9000110.1L26 N53 P55 L211 Y212 P213 P214 V252 I264 P265 S266 H270L26-W268 HydrophobicContact CD1-CH2 3.52Å; L26-W268 HydrophobicContact CD1-CZ2 4.39Å; L26-W268 HydrophobicContact CD1-CZ3 4.3Å; L26-W268 HydrophobicContact CG-CH2 3.9Å; L26-W268 HydrophobicContact CG-CZ2 4.42Å; N53-W268 PolarHBondContact O-NE1 3.34Å; P55-W268 HydrophobicContact CG-CH2 4.03Å; P55-W268 HydrophobicContact CG-CZ2 4.39Å; P55-W268 HydrophobicContact CG-CZ3 4.23Å; L211-W268 HydrophobicContact CB-CE3 3.85Å; L211-W268 HydrophobicContact CB-CZ3 4.09Å; L211-W268 HydrophobicContact CD2-CE3 4.01Å; L211-W268 HydrophobicContact CD2-CZ3 4.46Å; L211-W268 HydrophobicContact CG-CE3 4.44Å; Y212-W268 WeakPolarHBondContact O-CA 3.43Å; P213-W268 HydrophobicContact CB-CD2 4.36Å; P213-W268 HydrophobicContact CB-CE3 4.27Å; P213-W268 HydrophobicContact CB-CH2 3.72Å; P213-W268 HydrophobicContact CB-CZ2 3.79Å; P213-W268 HydrophobicContact CB-CZ3 3.98Å; P213-W268 HydrophobicContact CG-CH2 4.37Å; P213-W268 HydrophobicContact CG-CZ3 4.44Å; P214-W268 VanDerWaalsContact CD-CD1 3.49Å; V252-W268 HydrophobicContact CG2-CZ3 4.24Å; I264-W268 HydrophobicContact CG2-CB 4.26Å; P265-W268 VanDerWaalsContact CB-CD1 3.43Å; P265-W268 HydrophobicContact CB-CG 4.22Å; P265-W268 HydrophobicContact CG-CD2 4.25Å; P265-W268 HydrophobicContact CG-CG 4.14Å; P265-W268 WeakPolarHBondContact O-CB 3.45Å; P265-W268 PolarHBondContact O-N 3.11Å; S266-W268 PolarHBondContact O-N 2.7Å; W268-H270 PolarHBondContact O-ND1 3.01Å
269H97.7Very high98.2Very high4 Ų412.2 Ų12.22%0.0196%0.06CC..EExtended strand (participates in β ladder)trans-75.4138.2173.6-67.480000109.4F189 H190 R195 Y212 E217 G267F189-H269 HydrophobicContact CD2-CB 4.23Å; F189-H269 HydrophobicContact CE1-CB 3.93Å; F189-H269 HydrophobicContact CE2-CB 3.36Å; F189-H269 HydrophobicContact CZ-CB 3.2Å; H190-H269 CarbonylContact O-C 3.44Å; H190-H269 WeakPolarHBondContact O-CA 3.18Å; R195-H269 PolarHBondContact NH1-CE1 3.34Å; R195-H269 PolarHBondContact NH1-NE2 2.87Å; Y212-H269 PolarHBondContact N-O 2.87Å; Y212-H269 PolarHBondContact O-N 3.15Å; Y212-H269 VanDerWaalsContact O-N 3.15Å; E217-H269 VanDerWaalsContact CD-ND1 3.29Å; E217-H269 WeakPolarHBondContact CG-CE1 2.99Å; E217-H269 IonicContact OE1-CE1 3.59Å; E217-H269 PolarHBondContact OE1-CE1 2.8Å; E217-H269 IonicContact OE1-ND1 3.31Å; E217-H269 IonicContact OE2-CE1 2.75Å; E217-H269 IonicContact OE2-ND1 2.65Å; E217-H269 PolarHBondContact OE2-ND1 3.13Å; G267-H269 PolarHBondContact O-N 2.7Å; G267-H269 PolarHBondContact O-ND1 3.28Å
270H98.1Very high98.2Very high5 Ų512.2 Ų12.22%0.0236%0.06CC..EExtended strand (participates in β ladder)trans-151.6157.7-173.660.7-84.5000113.2F189 H190 D192 W209 L210 L211 W268F189-H270 WeakPolarHBondContact CA-O 3.34Å; H190-H270 AromaticContact CE1-CD2 3.76Å; H190-H270 AromaticContact CE1-NE2 3.38Å; H190-H270 PolarHBondContact CE1-NE2 2.88Å; H190-H270 PolarHBondContact N-O 2.54Å; H190-H270 PolarHBondContact ND1-O 3Å; H190-H270 AromaticContact NE2-CE1 3.83Å; H190-H270 AromaticContact NE2-NE2 3.45Å; H190-H270 PolarHBondContact NE2-NE2 3.18Å; H190-H270 PolarHBondContact O-N 3.25Å; D192-H270 IonicContact OD2-CE1 2.88Å; D192-H270 PolarHBondContact OD2-CE1 2.93Å; W209-H270 AromaticContact CE3-CD2 3.87Å; W209-H270 AromaticContact CZ3-CD2 3.64Å; W209-H270 AromaticContact CZ3-NE2 3.91Å; L210-H270 CarbonylContact O-C 3.54Å; L210-H270 WeakPolarHBondContact O-CA 3.43Å; L210-H270 WeakPolarHBondContact O-CB 3.4Å; L211-H270 HydrophobicContact CG-CB 4.09Å; W268-H270 PolarHBondContact O-ND1 3.01Å
271Q98.3Very high98.2Very high0 Ų011.1 Ų11.10%06%0.055CC..EExtended strand (participates in β ladder)trans-131.8141.5176.1177.8164.2-63.500109W186 T187 F189 W209 L210 F229 D230 V231 Y273W186-Q271 HydrophobicContact CE3-CG 4.2Å; W186-Q271 HydrophobicContact CZ3-CG 4.29Å; T187-Q271 WeakPolarHBondContact O-CG 3.37Å; F189-Q271 HydrophobicContact CB-CB 4.46Å; F189-Q271 HydrophobicContact CD2-CB 4.36Å; W209-Q271 WeakPolarHBondContact CA-O 3.21Å; L210-Q271 HydrophobicContact CB-CB 4.39Å; L210-Q271 PolarHBondContact N-O 2.82Å; L210-Q271 PolarHBondContact O-N 3.08Å; F229-Q271 PolarHBondContact O-OE1 2.97Å; D230-Q271 VanDerWaalsContact CA-OE1 3.29Å; D230-Q271 PolarHBondContact OD1-NE2 3.38Å; V231-Q271 HydrophobicContact CG2-CB 3.95Å; V231-Q271 HydrophobicContact CG2-CG 4.39Å; V231-Q271 VanDerWaalsContact N-OE1 3.14Å; Q271-Y273 HydrophobicContact CG-CE2 3.96Å; Q271-Y273 VanDerWaalsContact NE2-CZ 3.32Å; Q271-Y273 PolarHBondContact NE2-OH 2.9Å
272V98.4Very high98.1Very high7 Ų711.8 Ų11.84%0.0426%0.059CC..EExtended strand (participates in β ladder)trans-133132.4-169.4-164.30000111.1W186 T187 K207 K208 W209W186-V272 CarbonylContact C-O 3.59Å; W186-V272 WeakPolarHBondContact CA-O 3.36Å; W186-V272 VanDerWaalsContact CB-O 3.25Å; W186-V272 WeakPolarHBondContact CB-O 3.38Å; T187-V272 PolarHBondContact N-O 3.41Å; T187-V272 PolarHBondContact O-N 3.4Å; K207-V272 HydrophobicContact CB-CG1 4.35Å; K207-V272 HydrophobicContact CD-CG1 4.04Å; K208-V272 CarbonylContact O-C 3.56Å; K208-V272 WeakPolarHBondContact O-CA 3.27Å; W209-V272 HydrophobicContact CD2-CB 4.44Å; W209-V272 HydrophobicContact CD2-CG1 3.85Å; W209-V272 HydrophobicContact CD2-CG2 3.8Å; W209-V272 HydrophobicContact CE3-CB 4.38Å; W209-V272 HydrophobicContact CE3-CG1 4.22Å; W209-V272 HydrophobicContact CE3-CG2 3.29Å; W209-V272 HydrophobicContact CG-CG1 4.27Å; W209-V272 HydrophobicContact CH2-CG1 4.37Å; W209-V272 HydrophobicContact CH2-CG2 3.96Å; W209-V272 HydrophobicContact CZ2-CG1 4.04Å; W209-V272 HydrophobicContact CZ2-CG2 4.41Å; W209-V272 HydrophobicContact CZ3-CG1 4.46Å; W209-V272 HydrophobicContact CZ3-CG2 3.39Å
273Y98.6Very high98Very high48 Ų4811.8 Ų11.819%0.1886%0.059CC..EExtended strand (participates in β ladder)trans-119.4134.8174.3-61.7-89.4000110.8W186 K207 K208 L210 D230 T232 Q271W186-Y273 HydrophobicContact CB-CD1 3.46Å; W186-Y273 VanDerWaalsContact CB-CD1 3.46Å; W186-Y273 HydrophobicContact CB-CE1 3.94Å; W186-Y273 HydrophobicContact CB-CG 4.16Å; W186-Y273 HydrophobicContact CD2-CE1 4.14Å; W186-Y273 HydrophobicContact CE3-CE1 4.08Å; W186-Y273 HydrophobicContact CG-CD1 4.08Å; W186-Y273 HydrophobicContact CG-CE1 4.09Å; K207-Y273 CarbonylContact C-O 3.54Å; K207-Y273 VanDerWaalsContact CA-O 3.26Å; K207-Y273 WeakPolarHBondContact CA-O 3.37Å; K208-Y273 PolarHBondContact N-O 2.88Å; K208-Y273 PolarHBondContact O-N 3.16Å; L210-Y273 HydrophobicContact CD1-CE2 4.11Å; D230-Y273 PolarHBondContact OD1-OH 2.97Å; T232-Y273 HydrophobicContact CG2-CE2 4.47Å; T232-Y273 PolarHBondContact OG1-OH 2.87Å; Q271-Y273 HydrophobicContact CG-CE2 3.96Å; Q271-Y273 VanDerWaalsContact NE2-CZ 3.32Å; Q271-Y273 PolarHBondContact NE2-OH 2.9Å
274N98.7Very high97.9Very high2 Ų212 Ų121%0.0116%0.06CC..EExtended strand (participates in β ladder)trans-86.3108.1167.9-65.1-22.2000108.5Y136 G184 S185 K207 E276Y136-N274 VanDerWaalsContact CZ-ND2 3.34Å; Y136-N274 PolarHBondContact OH-ND2 3.32Å; G184-N274 PolarHBondContact N-O 2.69Å; S185-N274 WeakPolarHBondContact O-CB 3.39Å; S185-N274 PolarHBondContact O-N 3.19Å; S185-N274 PolarHBondContact OG-ND2 2.95Å; K207-N274 VanDerWaalsContact CE-OD1 3.26Å; K207-N274 WeakPolarHBondContact CE-OD1 3.46Å; K207-N274 WeakPolarHBondContact CG-OD1 3.48Å; N274-E276 VanDerWaalsContact C-N 3.29Å
275L98.7Very high97.9Very high61 Ų6112 Ų1232%0.3196%0.06SC..SBendtrans-78-17.8179.7-56.6-174.9000112.6K183 R206 K208 L255K183-L275 WeakPolarHBondContact CD-O 3.47Å; K183-L275 VanDerWaalsContact CG-O 3.3Å; K183-L275 WeakPolarHBondContact CG-O 3.16Å; R206-L275 HydrophobicContact CB-CB 4.31Å; R206-L275 HydrophobicContact CG-CB 4.49Å; R206-L275 HydrophobicContact CG-CD1 4.28Å; R206-L275 PolarHBondContact O-N 3.35Å; K208-L275 HydrophobicContact CB-CD1 4.07Å; K208-L275 HydrophobicContact CB-CD2 4.07Å; K208-L275 HydrophobicContact CB-CG 4.11Å; L255-L275 HydrophobicContact CD2-CD1 3.92Å
276E98.6Very high97.9Very high77 Ų7712 Ų1236%0.366%0.059SC..SBendtrans-137.9171.5174.9-66.1-164.8-162.200110.8K78 R206 N274 T278K78-E276 IonicContact NZ-OE2 2.74Å; K78-E276 PolarHBondContact NZ-OE2 3.45Å; R206-E276 HydrophobicContact CB-CB 4.46Å; R206-E276 HydrophobicContact CB-CG 4.23Å; N274-E276 VanDerWaalsContact C-N 3.29Å; E276-T278 WeakPolarHBondContact O-CB 2.88Å; E276-T278 PolarHBondContact O-N 3.07Å; E276-T278 VanDerWaalsContact O-N 3.14Å; E276-T278 PolarHBondContact O-OG1 3.15Å
277D98.8Very high97.9Very high8 Ų812 Ų124%0.0436%0.059CC..SBendtrans-56.3117169-66.1-53.5000110.2P79 W120 Y128 P182 K183 G205P79-D277 HydrophobicContact CG-CB 4.13Å; W120-D277 HydrophobicContact CZ2-CB 3.92Å; W120-D277 PolarHBondContact NE1-OD1 3.47Å; Y128-D277 WeakPolarHBondContact CE1-OD1 3.37Å; Y128-D277 PolarHBondContact OH-OD2 3.4Å; P182-D277 WeakPolarHBondContact CA-OD1 3.4Å; K183-D277 PolarHBondContact N-OD1 3.32Å; G205-D277 VanDerWaalsContact CA-O 3.3Å; G205-D277 WeakPolarHBondContact CA-O 3.5Å
278T98.6Very high98Very high1 Ų111.5 Ų11.51%0.0066%0.055CC..EExtended strand (participates in β ladder)trans-127.3137.3-161.7-66.70000111.7W120 M180 G181 N202 C204 K207 E276W120-T278 WeakPolarHBondContact CH2-O 3.44Å; M180-T278 WeakPolarHBondContact CA-O 3.4Å; G181-T278 PolarHBondContact N-O 3.02Å; G181-T278 PolarHBondContact O-N 3.49Å; N202-T278 VanDerWaalsContact OD1-CG2 3.26Å; N202-T278 WeakPolarHBondContact OD1-CG2 3.09Å; C204-T278 WeakPolarHBondContact O-CA 3.37Å; K207-T278 HydrophobicContact CD-CG2 4.33Å; K207-T278 HydrophobicContact CG-CG2 4.07Å; E276-T278 WeakPolarHBondContact O-CB 2.88Å; E276-T278 PolarHBondContact O-N 3.07Å; E276-T278 VanDerWaalsContact O-N 3.14Å; E276-T278 PolarHBondContact O-OG1 3.15Å
279V98.8Very high97.9Very high0 Ų011.7 Ų11.70%06%0.057CC..EExtended strand (participates in β ladder)trans-123.7130.7165177.40000107.3W72 P79 W120 Y179 M180 I203 C204W72-V279 HydrophobicContact CE3-CG1 3.64Å; W72-V279 HydrophobicContact CZ3-CG1 4.02Å; P79-V279 HydrophobicContact CB-CG2 4.14Å; P79-V279 HydrophobicContact CG-CG2 4.19Å; W120-V279 HydrophobicContact CH2-CG2 4.33Å; Y179-V279 WeakPolarHBondContact O-CA 3.32Å; M180-V279 HydrophobicContact CB-CG2 4.25Å; M180-V279 HydrophobicContact CE-CG1 4.07Å; M180-V279 HydrophobicContact CG-CG1 4.09Å; M180-V279 HydrophobicContact CG-CG2 4.12Å; M180-V279 HydrophobicContact SD-CG1 4.44Å; M180-V279 HydrophobicContact SD-CG2 4.27Å; I203-V279 WeakPolarHBondContact CA-O 3.37Å; I203-V279 HydrophobicContact CB-CB 4.43Å; I203-V279 HydrophobicContact CB-CG1 4.3Å; I203-V279 WeakPolarHBondContact CB-O 3.16Å; I203-V279 PolarHBondContact N-O 2.97Å; C204-V279 PolarHBondContact N-O 2.98Å; C204-V279 PolarHBondContact O-N 3.36Å
280S98.6Very high97.9Very high0 Ų011.5 Ų11.50%06%0.056CC..EExtended strand (participates in β ladder)trans-143158.517866.20000112.4Y179 A201 K207Y179-S280 WeakPolarHBondContact CB-OG 3.46Å; Y179-S280 PolarHBondContact N-O 2.86Å; Y179-S280 PolarHBondContact O-N 3.25Å; A201-S280 CarbonylContact O-C 3.42Å; A201-S280 WeakPolarHBondContact O-CA 3.43Å; A201-S280 VanDerWaalsContact O-CB 3.25Å; A201-S280 WeakPolarHBondContact O-CB 3.44Å; K207-S280 PolarHBondContact NZ-OG 3.29Å
281I98.6Very high97.9Very high2 Ų211.3 Ų11.31%0.016%0.055CC..EExtended strand (participates in β ladder)trans-117.4129.2175.6-58.4175.1000107.1W66 W72 V151 Y152 F177 W199 S200 A201 I203W66-I281 HydrophobicContact CE3-CD1 4.46Å; W66-I281 HydrophobicContact CZ3-CD1 4.35Å; W72-I281 HydrophobicContact CH2-CD1 4.48Å; W72-I281 HydrophobicContact CZ3-CD1 4.08Å; W72-I281 HydrophobicContact CZ3-CG1 4.1Å; V151-I281 HydrophobicContact CG1-CD1 3.55Å; Y152-I281 HydrophobicContact CD1-CD1 3.79Å; Y152-I281 HydrophobicContact CD1-CG2 4.11Å; Y152-I281 HydrophobicContact CE1-CG2 4.02Å; Y152-I281 HydrophobicContact CG-CD1 4.36Å; F177-I281 CarbonylContact O-C 3.43Å; F177-I281 WeakPolarHBondContact O-CA 3.49Å; W199-I281 HydrophobicContact CH2-CG2 3.99Å; W199-I281 HydrophobicContact CZ3-CB 4.4Å; W199-I281 HydrophobicContact CZ3-CG2 4.1Å; S200-I281 CarbonylContact C-O 3.56Å; S200-I281 WeakPolarHBondContact CA-O 3.41Å; A201-I281 PolarHBondContact N-O 2.87Å; A201-I281 PolarHBondContact O-N 2.8Å; I203-I281 HydrophobicContact CD1-CD1 3.92Å; I203-I281 HydrophobicContact CD1-CG1 4.26Å; I203-I281 HydrophobicContact CG1-CD1 4.03Å; I203-I281 HydrophobicContact CG1-CG1 3.98Å
282N97.4Very high97.8Very high15 Ų1512.1 Ų12.18%0.086%0.062CC..EExtended strand (participates in β ladder)trans-122.2147.2174.2-58.527.5000111.5F177 Y179 W199 S200F177-N282 PolarHBondContact N-O 3.03Å; F177-N282 PolarHBondContact O-N 2.84Å; Y179-N282 HydrophobicContact CD2-CB 4.23Å; Y179-N282 HydrophobicContact CE2-CB 3.73Å; W199-N282 CarbonylContact O-C 3.46Å; W199-N282 WeakPolarHBondContact O-CA 3.12Å; S200-N282 WeakPolarHBondContact CB-OD1 3.3Å; S200-N282 PolarHBondContact OG-OD1 3.35Å
283H95.4Very high97.7Very high0 Ų013.7 Ų13.70%07%0.07CC..EExtended strand (participates in β ladder)trans-129.2134.9171.5-80.7-145.1000109.9Y152 Y175 S198 W199Y152-H283 AromaticContact CE1-NE2 3.93Å; Y152-H283 AromaticContact CE2-CE1 3.32Å; Y152-H283 WeakPolarHBondContact CE2-CE1 3.38Å; Y152-H283 AromaticContact CE2-NE2 3.17Å; Y152-H283 WeakPolarHBondContact CE2-NE2 3.3Å; Y152-H283 AromaticContact CZ-CE1 3.46Å; Y152-H283 VanDerWaalsContact CZ-CE1 3.46Å; Y152-H283 AromaticContact CZ-NE2 2.97Å; Y152-H283 PolarHBondContact OH-CE1 3.08Å; Y152-H283 PolarHBondContact OH-NE2 3.44Å; Y175-H283 WeakPolarHBondContact O-CA 3.49Å; S198-H283 CarbonylContact C-O 3.54Å; S198-H283 WeakPolarHBondContact CA-O 3.39Å; S198-H283 PolarHBondContact OG-O 2.83Å; W199-H283 HydrophobicContact CD2-CB 3.97Å; W199-H283 VanDerWaalsContact CE2-CB 3.43Å; W199-H283 AromaticContact CE2-CD2 3.85Å; W199-H283 AromaticContact CE2-CG 3.4Å; W199-H283 VanDerWaalsContact CE2-CG 3.4Å; W199-H283 AromaticContact CE2-ND1 3.74Å; W199-H283 HydrophobicContact CG-CB 4.22Å; W199-H283 AromaticContact CH2-CD2 3.49Å; W199-H283 VanDerWaalsContact CH2-CD2 3.49Å; W199-H283 WeakPolarHBondContact CH2-CD2 3.36Å; W199-H283 AromaticContact CH2-CG 3.92Å; W199-H283 AromaticContact CH2-NE2 3.69Å; W199-H283 HydrophobicContact CZ2-CB 3.81Å; W199-H283 AromaticContact CZ2-CD2 3.26Å; W199-H283 WeakPolarHBondContact CZ2-CD2 3.45Å; W199-H283 AromaticContact CZ2-CE1 3.5Å; W199-H283 AromaticContact CZ2-CG 3.21Å; W199-H283 AromaticContact CZ2-ND1 3.38Å; W199-H283 WeakPolarHBondContact CZ2-ND1 3.36Å; W199-H283 AromaticContact CZ2-NE2 3.46Å; W199-H283 WeakPolarHBondContact CZ2-NE2 3.42Å; W199-H283 PolarHBondContact N-O 3.27Å; W199-H283 VanDerWaalsContact NE1-CB 3.32Å; W199-H283 AromaticContact NE1-CG 3.61Å; W199-H283 AromaticContact NE1-ND1 3.75Å; W199-H283 PolarHBondContact O-N 2.78Å
284N97.6Very high97.6Very high4 Ų411.5 Ų11.52%0.0216%0.061CC..EExtended strand (participates in β ladder)trans-101.8138.4166.1-64.477.2000109.5L163 N164 Y175 F177 D192 V193 S196 Y197L163-N284 HydrophobicContact CD2-CB 4.3Å; N164-N284 PolarHBondContact ND2-O 3.12Å; N164-N284 VanDerWaalsContact ND2-O 3.13Å; Y175-N284 HydrophobicContact CD1-CB 4.23Å; Y175-N284 PolarHBondContact O-N 3.33Å; F177-N284 WeakPolarHBondContact CE2-OD1 3.2Å; D192-N284 VanDerWaalsContact CB-ND2 3.25Å; D192-N284 WeakPolarHBondContact CB-ND2 3.28Å; D192-N284 PolarHBondContact OD1-ND2 2.91Å; V193-N284 HydrophobicContact CG2-CB 4.33Å; S196-N284 PolarHBondContact OG-ND2 3.02Å; Y197-N284 CarbonylContact O-C 3.56Å; Y197-N284 VanDerWaalsContact O-CA 3.28Å; Y197-N284 WeakPolarHBondContact O-CA 3.4Å
285W97Very high97.6Very high1 Ų111.7 Ų11.70%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-147.6154.617581.1100.8000114.1L50 F158 S160 D161 S196 Y197 W199 F263L50-W285 HydrophobicContact CD2-CZ2 4.19Å; F158-W285 AromaticContact CD1-CH2 3.46Å; F158-W285 HydrophobicContact CD1-CH2 3.46Å; F158-W285 VanDerWaalsContact CD1-CH2 3.46Å; F158-W285 AromaticContact CD1-CZ2 3.77Å; F158-W285 HydrophobicContact CD1-CZ2 3.77Å; F158-W285 HydrophobicContact CD1-CZ3 4.23Å; F158-W285 HydrophobicContact CE1-CH2 4.01Å; F158-W285 HydrophobicContact CG-CH2 4.28Å; S160-W285 VanDerWaalsContact O-CD1 3.3Å; D161-W285 HydrophobicContact CB-CB 3.96Å; D161-W285 HydrophobicContact CB-CG 4.49Å; D161-W285 WeakPolarHBondContact OD1-CB 3.29Å; S196-W285 WeakPolarHBondContact CB-O 3.18Å; Y197-W285 VanDerWaalsContact CB-CE2 3.49Å; Y197-W285 WeakPolarHBondContact CB-O 3.29Å; Y197-W285 AromaticContact CD2-CE2 3.82Å; Y197-W285 HydrophobicContact CD2-CZ2 4.13Å; Y197-W285 AromaticContact CD2-NE1 3.58Å; Y197-W285 HydrophobicContact CG-CZ2 4.06Å; Y197-W285 PolarHBondContact N-O 2.96Å; Y197-W285 PolarHBondContact O-N 3.1Å; W199-W285 HydrophobicContact CB-CH2 4.21Å; W199-W285 HydrophobicContact CB-CZ3 3.84Å; W199-W285 AromaticContact CD1-CE3 3.76Å; W199-W285 AromaticContact CD1-CH2 3.8Å; W199-W285 AromaticContact CD1-CZ3 3.21Å; W199-W285 HydrophobicContact CG-CH2 4.44Å; W199-W285 AromaticContact CG-CZ3 3.87Å; W199-W285 HydrophobicContact CG-CZ3 3.87Å; F263-W285 AromaticContact CD2-CH2 3.53Å; F263-W285 HydrophobicContact CD2-CH2 3.53Å; F263-W285 HydrophobicContact CD2-CZ2 4.16Å; F263-W285 HydrophobicContact CD2-CZ3 4.44Å; F263-W285 AromaticContact CE2-CH2 3.52Å; F263-W285 HydrophobicContact CE2-CH2 3.52Å; F263-W285 AromaticContact CE2-CZ2 3.74Å; F263-W285 HydrophobicContact CE2-CZ2 3.74Å
286V97.9Very high97.5Very high0 Ų010.1 Ų10.10%06%0.056CC..  trans-117.3150.7171.9172.40000108.1W162 N290 V291 M294 F341W162-V286 WeakPolarHBondContact CB-O 3.38Å; W162-V286 PolarHBondContact N-O 2.72Å; V286-N290 WeakPolarHBondContact CA-OD1 3.44Å; V286-N290 WeakPolarHBondContact CG1-OD1 3.39Å; V286-V291 HydrophobicContact CG1-CB 3.96Å; V286-V291 HydrophobicContact CG1-CG2 4.42Å; V286-M294 HydrophobicContact CB-SD 4.37Å; V286-M294 HydrophobicContact CG1-SD 4.04Å; V286-M294 HydrophobicContact CG2-SD 3.89Å; V286-F341 HydrophobicContact CB-CZ 4.41Å; V286-F341 HydrophobicContact CG1-CZ 4.22Å
287N97.5Very high97.4Very high1 Ų17.9 Ų7.91%0.0055%0.045CC..  trans-149.6-171.2171.471.120.4000112.2S160 W162 C289 N290 V291S160-N287 VanDerWaalsContact O-CB 3.25Å; S160-N287 WeakPolarHBondContact O-CB 3.2Å; S160-N287 WeakPolarHBondContact OG-CB 3.37Å; W162-N287 HydrophobicContact CG-CB 4.48Å; N287-C289 PolarHBondContact O-N 3.07Å; N287-C289 WeakPolarHBondContact OD1-CA 3.49Å; N287-C289 WeakPolarHBondContact OD1-CB 3.05Å; N287-C289 PolarHBondContact OD1-N 2.99Å; N287-N290 PolarHBondContact N-OD1 2.84Å; N287-N290 PolarHBondContact O-N 2.92Å; N287-N290 VanDerWaalsContact O-N 3.14Å; N287-N290 PolarHBondContact O-OD1 3.41Å; N287-V291 WeakPolarHBondContact O-CB 3.37Å; N287-V291 PolarHBondContact O-N 3.04Å
288G96.9Very high97.4Very high0 Ų07.5 Ų7.50%04%0.043CC..THydrogen-bonded Turntrans-57.6-22.6-179.800000114.8W162 R385W162-G288 VanDerWaalsContact CZ2-CA 3.44Å; G288-R385 WeakPolarHBondContact O-CG 3.31Å; G288-R385 PolarHBondContact O-NE 3.25Å
289C96.5Very high97.4Very high9 Ų910 Ų106%0.0615%0.054CC..THydrogen-bonded Turntrans-72.9-40.3178.3-56.50000112.3F13 F46 Y197 N287F13-C289 HydrophobicContact CZ-CB 4.3Å; F13-C289 WeakPolarHBondContact CZ-O 3.4Å; F46-C289 WeakPolarHBondContact CZ-SG 3.44Å; Y197-C289 HydrophobicContact CE2-CB 4.22Å; Y197-C289 VanDerWaalsContact OH-CB 3.31Å; Y197-C289 WeakPolarHBondContact OH-CB 3.44Å; N287-C289 PolarHBondContact O-N 3.07Å; N287-C289 WeakPolarHBondContact OD1-CA 3.49Å; N287-C289 WeakPolarHBondContact OD1-CB 3.05Å; N287-C289 PolarHBondContact OD1-N 2.99Å
290N96.6Very high97.3Very high1 Ų114.9 Ų14.91%0.0058%0.08CC..THydrogen-bonded Turntrans-119.31.1-171.867.5-7.5000114.9Y197 V286 N287 A292 I293 M294Y197-N290 WeakPolarHBondContact CD2-ND2 3.45Å; Y197-N290 HydrophobicContact CE2-CB 4.05Å; Y197-N290 VanDerWaalsContact CE2-ND2 3.33Å; Y197-N290 WeakPolarHBondContact CE2-ND2 3.23Å; Y197-N290 PolarHBondContact N-ND2 3.03Å; V286-N290 WeakPolarHBondContact CA-OD1 3.44Å; V286-N290 WeakPolarHBondContact CG1-OD1 3.39Å; N287-N290 PolarHBondContact N-OD1 2.84Å; N287-N290 PolarHBondContact O-N 2.92Å; N287-N290 VanDerWaalsContact O-N 3.14Å; N287-N290 PolarHBondContact O-OD1 3.41Å; N290-A292 PolarHBondContact O-N 3.4Å; N290-A292 VanDerWaalsContact O-N 3.15Å; N290-I293 HydrophobicContact CB-CD1 4.1Å; N290-I293 WeakPolarHBondContact O-CA 3.47Å; N290-I293 VanDerWaalsContact O-CB 3.29Å; N290-I293 WeakPolarHBondContact O-CB 3.35Å; N290-I293 PolarHBondContact O-N 3.06Å; N290-M294 PolarHBondContact O-N 2.9Å; N290-M294 VanDerWaalsContact O-N 3.08Å
291V97.9Very high97.2Very high0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-58.2-30.6176.861.70000113.5W162 V286 N287 I293 M294 W295 F338 F341 L342 R385 V389W162-V291 HydrophobicContact CE3-CB 4.16Å; W162-V291 HydrophobicContact CE3-CG2 4.2Å; W162-V291 HydrophobicContact CH2-CB 4.45Å; W162-V291 HydrophobicContact CH2-CG1 4.02Å; W162-V291 HydrophobicContact CZ3-CB 3.71Å; W162-V291 HydrophobicContact CZ3-CG1 3.71Å; W162-V291 HydrophobicContact CZ3-CG2 3.79Å; V286-V291 HydrophobicContact CG1-CB 3.96Å; V286-V291 HydrophobicContact CG1-CG2 4.42Å; N287-V291 WeakPolarHBondContact O-CB 3.37Å; N287-V291 PolarHBondContact O-N 3.04Å; V291-I293 VanDerWaalsContact C-N 3.32Å; V291-M294 PolarHBondContact O-N 2.69Å; V291-W295 PolarHBondContact O-N 3.42Å; V291-F338 HydrophobicContact CG2-CE2 4.44Å; V291-F338 HydrophobicContact CG2-CZ 4.19Å; V291-F341 HydrophobicContact CG2-CE1 4.2Å; V291-L342 HydrophobicContact CG2-CD2 3.83Å; V291-R385 HydrophobicContact CG1-CB 4.36Å; V291-V389 HydrophobicContact CG1-CG2 3.92Å; V291-V389 HydrophobicContact CG2-CG1 4.47Å; V291-V389 HydrophobicContact CG2-CG2 4.38Å
292A96.5Very high97.2Very high17 Ų1717.6 Ų17.614%0.149%0.093CC..Hα-helixtrans-69.1-31.617400000112.2N290 W295 C296 V389N290-A292 PolarHBondContact O-N 3.4Å; N290-A292 VanDerWaalsContact O-N 3.15Å; A292-W295 PolarHBondContact O-N 3.16Å; A292-C296 PolarHBondContact O-N 3.31Å; A292-C296 PolarHBondContact O-SG 2.88Å; A292-C296 VanDerWaalsContact O-SG 3.41Å; A292-V389 HydrophobicContact CB-CG2 4.06Å
293I96.1Very high97.2Very high41 Ų4118 Ų1821%0.2110%0.099CC..Hα-helixtrans-69.8-44.2175.5-57.8174.2000109.3R195 S266 N290 V291 W295 C296 F297R195-I293 HydrophobicContact CB-CG2 3.78Å; R195-I293 HydrophobicContact CG-CG2 4.3Å; S266-I293 WeakPolarHBondContact OG-CD1 3.3Å; N290-I293 HydrophobicContact CB-CD1 4.1Å; N290-I293 WeakPolarHBondContact O-CA 3.47Å; N290-I293 VanDerWaalsContact O-CB 3.29Å; N290-I293 WeakPolarHBondContact O-CB 3.35Å; N290-I293 PolarHBondContact O-N 3.06Å; V291-I293 VanDerWaalsContact C-N 3.32Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.15Å; I293-C296 PolarHBondContact O-N 2.89Å; I293-F297 WeakPolarHBondContact O-CB 3.3Å; I293-F297 PolarHBondContact O-N 3.48Å
294M97.7Very high97.2Very high1 Ų119.7 Ų19.71%0.00511%0.113CC..Hα-helixtrans-55.8-44.3171.6174.5176.3-174.200111.3F194 V286 N290 V291 F297 L298 I333 F338 F341F194-M294 HydrophobicContact CB-CB 4.48Å; F194-M294 HydrophobicContact CB-CE 4.22Å; F194-M294 HydrophobicContact CB-CG 3.93Å; F194-M294 HydrophobicContact CB-SD 4.16Å; F194-M294 HydrophobicContact CD1-CE 3.85Å; F194-M294 HydrophobicContact CD2-CE 3.99Å; F194-M294 HydrophobicContact CE1-CE 4.18Å; F194-M294 HydrophobicContact CE2-CE 4.3Å; F194-M294 HydrophobicContact CG-CE 3.76Å; F194-M294 HydrophobicContact CG-CG 4.38Å; F194-M294 HydrophobicContact CG-SD 4.33Å; F194-M294 HydrophobicContact CZ-CE 4.39Å; V286-M294 HydrophobicContact CB-SD 4.37Å; V286-M294 HydrophobicContact CG1-SD 4.04Å; V286-M294 HydrophobicContact CG2-SD 3.89Å; N290-M294 PolarHBondContact O-N 2.9Å; N290-M294 VanDerWaalsContact O-N 3.08Å; V291-M294 PolarHBondContact O-N 2.69Å; M294-F297 WeakPolarHBondContact O-CB 3.25Å; M294-F297 PolarHBondContact O-N 3.05Å; M294-L298 HydrophobicContact CE-CD1 4.42Å; M294-L298 HydrophobicContact CG-CD1 4.26Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.31Å; M294-L298 PolarHBondContact O-N 2.81Å; M294-I333 HydrophobicContact CE-CD1 3.45Å; M294-I333 VanDerWaalsContact CE-CD1 3.45Å; M294-F338 HydrophobicContact CE-CD2 3.92Å; M294-F338 HydrophobicContact CE-CE2 3.98Å; M294-F338 HydrophobicContact CG-CE2 3.97Å; M294-F338 HydrophobicContact SD-CD2 4.4Å; M294-F338 HydrophobicContact SD-CE2 3.85Å; M294-F341 HydrophobicContact SD-CE1 4.31Å; M294-F341 HydrophobicContact SD-CZ 4.42Å
295W98.1Very high97.2Very high7 Ų720.1 Ų20.13%0.02712%0.115CC..Hα-helixtrans-64-40176.3175.5-127.9000113.5V291 A292 I293 L298 Q299 Y335 F338 V389 S392 L393 N396V291-W295 PolarHBondContact O-N 3.42Å; A292-W295 PolarHBondContact O-N 3.16Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.15Å; W295-L298 HydrophobicContact CE3-CB 4.23Å; W295-L298 HydrophobicContact CE3-CD1 4.43Å; W295-L298 HydrophobicContact CZ3-CB 4.46Å; W295-L298 PolarHBondContact O-N 3.34Å; W295-Q299 HydrophobicContact CD2-CG 4.16Å; W295-Q299 VanDerWaalsContact CE2-NE2 3.28Å; W295-Q299 HydrophobicContact CE3-CG 4.25Å; W295-Q299 HydrophobicContact CH2-CG 3.67Å; W295-Q299 HydrophobicContact CZ2-CG 3.58Å; W295-Q299 HydrophobicContact CZ3-CG 4.02Å; W295-Q299 VanDerWaalsContact NE1-NE2 3.13Å; W295-Q299 WeakPolarHBondContact O-CG 3.47Å; W295-Q299 PolarHBondContact O-N 2.82Å; W295-Q299 VanDerWaalsContact O-N 3.15Å; W295-Q299 PolarHBondContact O-NE2 3.4Å; W295-Q299 VanDerWaalsContact O-NE2 3.07Å; W295-Y335 HydrophobicContact CH2-CD1 4.4Å; W295-Y335 HydrophobicContact CH2-CD2 4.15Å; W295-Y335 AromaticContact CH2-CE1 3.98Å; W295-Y335 HydrophobicContact CH2-CE1 3.98Å; W295-Y335 AromaticContact CH2-CE2 3.72Å; W295-Y335 HydrophobicContact CH2-CE2 3.72Å; W295-Y335 HydrophobicContact CH2-CG 4.46Å; W295-Y335 AromaticContact CH2-CZ 3.6Å; W295-Y335 AromaticContact CZ3-CD1 3.85Å; W295-Y335 HydrophobicContact CZ3-CD1 3.85Å; W295-Y335 HydrophobicContact CZ3-CD2 4.38Å; W295-Y335 AromaticContact CZ3-CE1 3.56Å; W295-Y335 HydrophobicContact CZ3-CE1 3.56Å; W295-Y335 HydrophobicContact CZ3-CE2 4.14Å; W295-Y335 HydrophobicContact CZ3-CG 4.24Å; W295-Y335 AromaticContact CZ3-CZ 3.71Å; W295-F338 HydrophobicContact CB-CE1 3.88Å; W295-F338 HydrophobicContact CB-CZ 3.84Å; W295-F338 HydrophobicContact CD2-CD1 4.44Å; W295-F338 AromaticContact CD2-CE1 3.87Å; W295-F338 HydrophobicContact CD2-CE1 3.87Å; W295-F338 AromaticContact CE3-CD1 3.62Å; W295-F338 HydrophobicContact CE3-CD1 3.62Å; W295-F338 AromaticContact CE3-CE1 3.46Å; W295-F338 HydrophobicContact CE3-CE1 3.46Å; W295-F338 VanDerWaalsContact CE3-CE1 3.46Å; W295-F338 HydrophobicContact CE3-CZ 4.4Å; W295-F338 HydrophobicContact CG-CE1 4.07Å; W295-F338 HydrophobicContact CZ3-CD1 4.09Å; W295-F338 HydrophobicContact CZ3-CE1 4.34Å; W295-V389 HydrophobicContact CB-CG1 3.86Å; W295-V389 HydrophobicContact CG-CG1 3.98Å; W295-S392 PolarHBondContact NE1-OG 3.08Å; W295-L393 HydrophobicContact CE3-CD1 4.32Å; W295-L393 HydrophobicContact CH2-CD1 3.35Å; W295-L393 HydrophobicContact CZ2-CB 4.41Å; W295-L393 HydrophobicContact CZ2-CD1 3.96Å; W295-L393 HydrophobicContact CZ3-CD1 3.56Å; W295-N396 HydrophobicContact CH2-CB 4.25Å; W295-N396 HydrophobicContact CZ2-CB 3.92Å
296C97.1Very high97.2Very high28 Ų2821.9 Ų21.919%0.18912%0.124CC..Hα-helixtrans-61.8-46.6172.8-740000111.4A292 I293 L298 Q299 D300A292-C296 PolarHBondContact O-N 3.31Å; A292-C296 PolarHBondContact O-SG 2.88Å; A292-C296 VanDerWaalsContact O-SG 3.41Å; I293-C296 PolarHBondContact O-N 2.89Å; C296-L298 VanDerWaalsContact C-N 3.35Å; C296-L298 PolarHBondContact O-N 2.76Å; C296-Q299 WeakPolarHBondContact O-CB 3.3Å; C296-Q299 PolarHBondContact O-N 3.41Å; C296-Q299 VanDerWaalsContact O-N 3.11Å; C296-D300 PolarHBondContact O-N 3.19Å
297F96.6Very high97.1Very high30 Ų3029.5 Ų29.513%0.13215%0.152CC..Hα-helixtrans-54.9-48.9175.5167.5-100.7000111.9F194 R195 I293 M294 Q299 D300 E301 T331F194-F297 HydrophobicContact CD1-CD1 4.18Å; F194-F297 AromaticContact CD1-CE1 3.91Å; F194-F297 HydrophobicContact CD1-CE1 3.91Å; R195-F297 HydrophobicContact CG-CB 4.05Å; R195-F297 HydrophobicContact CG-CD2 4.11Å; R195-F297 HydrophobicContact CG-CG 4.19Å; I293-F297 WeakPolarHBondContact O-CB 3.3Å; I293-F297 PolarHBondContact O-N 3.48Å; M294-F297 WeakPolarHBondContact O-CB 3.25Å; M294-F297 PolarHBondContact O-N 3.05Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 2.72Å; F297-D300 PolarHBondContact O-N 2.82Å; F297-D300 VanDerWaalsContact O-N 3.14Å; F297-E301 HydrophobicContact CD1-CG 4.34Å; F297-E301 HydrophobicContact CD2-CG 3.95Å; F297-E301 HydrophobicContact CE1-CG 3.93Å; F297-E301 HydrophobicContact CE2-CG 3.5Å; F297-E301 VanDerWaalsContact CE2-CG 3.5Å; F297-E301 WeakPolarHBondContact CE2-OE1 3.41Å; F297-E301 HydrophobicContact CG-CG 4.37Å; F297-E301 HydrophobicContact CZ-CG 3.49Å; F297-E301 VanDerWaalsContact CZ-CG 3.49Å; F297-E301 VanDerWaalsContact O-CG 3.3Å; F297-E301 WeakPolarHBondContact O-CG 3.49Å; F297-E301 PolarHBondContact O-N 2.63Å; F297-T331 HydrophobicContact CE1-CG2 4.03Å; F297-T331 HydrophobicContact CZ-CG2 4.11Å
298L98.3Very high97.1Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-60-37.2178.3-69.2174.5000112.5F194 M294 W295 C296 L302 M327 I333 Y335 F338F194-L298 HydrophobicContact CD1-CD2 4.34Å; F194-L298 HydrophobicContact CE1-CD2 4.28Å; M294-L298 HydrophobicContact CE-CD1 4.42Å; M294-L298 HydrophobicContact CG-CD1 4.26Å; M294-L298 VanDerWaalsContact O-CG 3.3Å; M294-L298 WeakPolarHBondContact O-CG 3.31Å; M294-L298 PolarHBondContact O-N 2.81Å; W295-L298 HydrophobicContact CE3-CB 4.23Å; W295-L298 HydrophobicContact CE3-CD1 4.43Å; W295-L298 HydrophobicContact CZ3-CB 4.46Å; W295-L298 PolarHBondContact O-N 3.34Å; C296-L298 VanDerWaalsContact C-N 3.35Å; C296-L298 PolarHBondContact O-N 2.76Å; L298-L302 PolarHBondContact O-N 3.02Å; L298-M327 HydrophobicContact CB-CE 3.63Å; L298-M327 HydrophobicContact CD2-CE 3.46Å; L298-M327 VanDerWaalsContact CD2-CE 3.46Å; L298-M327 HydrophobicContact CG-CE 4.11Å; L298-M327 WeakPolarHBondContact O-CE 3.25Å; L298-I333 HydrophobicContact CD1-CD1 4.08Å; L298-I333 HydrophobicContact CD2-CD1 4.31Å; L298-I333 HydrophobicContact CD2-CG1 4.01Å; L298-Y335 HydrophobicContact CB-CE1 4.19Å; L298-F338 HydrophobicContact CD1-CB 3.9Å; L298-F338 HydrophobicContact CD1-CD1 4.01Å; L298-F338 HydrophobicContact CD1-CD2 3.46Å; L298-F338 VanDerWaalsContact CD1-CD2 3.46Å; L298-F338 HydrophobicContact CD1-CE1 4.42Å; L298-F338 HydrophobicContact CD1-CE2 3.94Å; L298-F338 HydrophobicContact CD1-CG 3.51Å; L298-F338 HydrophobicContact CD1-CZ 4.39Å
299Q98.3Very high97Very high53 Ų5338.6 Ų38.625%0.24820%0.196CC..Hα-helixtrans-67.7-41.6174.9-70.4168.9104.100112.6W295 C296 F297 E301 L302 A303 Y335 N396W295-Q299 HydrophobicContact CD2-CG 4.16Å; W295-Q299 VanDerWaalsContact CE2-NE2 3.28Å; W295-Q299 HydrophobicContact CE3-CG 4.25Å; W295-Q299 HydrophobicContact CH2-CG 3.67Å; W295-Q299 HydrophobicContact CZ2-CG 3.58Å; W295-Q299 HydrophobicContact CZ3-CG 4.02Å; W295-Q299 VanDerWaalsContact NE1-NE2 3.13Å; W295-Q299 WeakPolarHBondContact O-CG 3.47Å; W295-Q299 PolarHBondContact O-N 2.82Å; W295-Q299 VanDerWaalsContact O-N 3.15Å; W295-Q299 PolarHBondContact O-NE2 3.4Å; W295-Q299 VanDerWaalsContact O-NE2 3.07Å; C296-Q299 WeakPolarHBondContact O-CB 3.3Å; C296-Q299 PolarHBondContact O-N 3.41Å; C296-Q299 VanDerWaalsContact O-N 3.11Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 2.72Å; Q299-E301 VanDerWaalsContact C-N 3.35Å; Q299-L302 PolarHBondContact O-N 3.25Å; Q299-A303 WeakPolarHBondContact O-CB 3.34Å; Q299-A303 PolarHBondContact O-N 2.98Å; Q299-Y335 WeakPolarHBondContact CA-OH 3.33Å; Q299-Y335 WeakPolarHBondContact CG-OH 3.43Å; Q299-N396 PolarHBondContact OE1-ND2 2.61Å
300D96.4Very high96.9Very high103 Ų10341.6 Ų41.655%0.55122%0.216SC*.Hα-helixtrans-65.3-39.9178.4-68.7-26.7000111.6C296 F297 A303 A304C296-D300 PolarHBondContact O-N 3.19Å; F297-D300 PolarHBondContact O-N 2.82Å; F297-D300 VanDerWaalsContact O-N 3.14Å; D300-A303 PolarHBondContact O-N 2.69Å; D300-A304 WeakPolarHBondContact O-CB 3.09Å; D300-A304 PolarHBondContact O-N 3.36Å
301E97.1Very high96.8Very high57 Ų5748.6 Ų48.627%0.26625%0.249SC..Hα-helixtrans-66.8-44.7176.3-68.4-61.7127.600111.7F297 Q299 A303 A304 V305 M327 T331F297-E301 HydrophobicContact CD1-CG 4.34Å; F297-E301 HydrophobicContact CD2-CG 3.95Å; F297-E301 HydrophobicContact CE1-CG 3.93Å; F297-E301 HydrophobicContact CE2-CG 3.5Å; F297-E301 VanDerWaalsContact CE2-CG 3.5Å; F297-E301 WeakPolarHBondContact CE2-OE1 3.41Å; F297-E301 HydrophobicContact CG-CG 4.37Å; F297-E301 HydrophobicContact CZ-CG 3.49Å; F297-E301 VanDerWaalsContact CZ-CG 3.49Å; F297-E301 VanDerWaalsContact O-CG 3.3Å; F297-E301 WeakPolarHBondContact O-CG 3.49Å; F297-E301 PolarHBondContact O-N 2.63Å; Q299-E301 VanDerWaalsContact C-N 3.35Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 2.86Å; E301-A304 WeakPolarHBondContact O-CB 3.34Å; E301-A304 PolarHBondContact O-N 2.79Å; E301-A304 VanDerWaalsContact O-N 3.16Å; E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 2.82Å; E301-M327 HydrophobicContact CB-CE 4.25Å; E301-M327 HydrophobicContact CB-CG 4.45Å; E301-T331 HydrophobicContact CB-CG2 3.72Å; E301-T331 HydrophobicContact CG-CG2 3.63Å
302L98Very high96.6Very high1 Ų155 Ų551%0.00527%0.274CS..Hα-helixtrans-60-43.8173.7-175.363.5000110.9L298 Q299 A304 V305 Q306 C323 M327 Y335 D398L298-L302 PolarHBondContact O-N 3.02Å; Q299-L302 PolarHBondContact O-N 3.25Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.99Å; L302-V305 PolarHBondContact O-N 2.85Å; L302-Q306 HydrophobicContact CG-CG 4.37Å; L302-Q306 WeakPolarHBondContact O-CB 3.44Å; L302-Q306 VanDerWaalsContact O-CG 3.23Å; L302-Q306 WeakPolarHBondContact O-CG 3.41Å; L302-Q306 PolarHBondContact O-N 2.83Å; L302-C323 HydrophobicContact CD1-CB 3.81Å; L302-M327 HydrophobicContact CB-CE 4.5Å; L302-M327 HydrophobicContact CB-SD 3.7Å; L302-M327 HydrophobicContact CD1-CB 4.36Å; L302-M327 HydrophobicContact CD1-SD 3.99Å; L302-M327 HydrophobicContact CG-SD 4.36Å; L302-Y335 HydrophobicContact CB-CE1 4.33Å; L302-Y335 HydrophobicContact CD2-CD2 4.38Å; L302-Y335 HydrophobicContact CD2-CE1 4.13Å; L302-Y335 HydrophobicContact CD2-CE2 3.58Å; L302-Y335 VanDerWaalsContact CD2-CZ 3.43Å; L302-Y335 WeakPolarHBondContact CD2-OH 3.42Å; L302-D398 HydrophobicContact CD2-CB 3.71Å
303A97.7Very high96.4Very high25 Ų2559.3 Ų59.321%0.20729%0.289CS..Hα-helixtrans-64.5-33.617800000112.1Q299 D300 E301 R307Q299-A303 WeakPolarHBondContact O-CB 3.34Å; Q299-A303 PolarHBondContact O-N 2.98Å; D300-A303 PolarHBondContact O-N 2.69Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 2.86Å; A303-R307 WeakPolarHBondContact O-CG 3.2Å; A303-R307 PolarHBondContact O-N 2.87Å; A303-R307 PolarHBondContact O-NH1 3.14Å
304A95.9Very high96.2Very high35 Ų3564.5 Ų64.529%0.28932%0.317SS..Hα-helixtrans-65.9-48.7173.700000111.4D300 E301 L302 Q306 R307 E308D300-A304 WeakPolarHBondContact O-CB 3.09Å; D300-A304 PolarHBondContact O-N 3.36Å; E301-A304 WeakPolarHBondContact O-CB 3.34Å; E301-A304 PolarHBondContact O-N 2.79Å; E301-A304 VanDerWaalsContact O-N 3.16Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.99Å; A304-Q306 VanDerWaalsContact C-N 3.34Å; A304-Q306 PolarHBondContact O-N 3.15Å; A304-R307 PolarHBondContact O-N 2.81Å; A304-E308 PolarHBondContact O-N 3.35Å
305V97.1Very high95.9Very high13 Ų1369 Ų698%0.07935%0.346CS..Hα-helixtrans-56.9-48.7174.81710000110.8E301 L302 R307 E308 I309 C323 I326 M327E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 2.82Å; L302-V305 PolarHBondContact O-N 2.85Å; V305-R307 VanDerWaalsContact C-N 3.28Å; V305-R307 PolarHBondContact O-N 3.06Å; V305-E308 PolarHBondContact O-N 2.78Å; V305-E308 VanDerWaalsContact O-N 3.11Å; V305-I309 HydrophobicContact CG1-CD1 4.5Å; V305-I309 HydrophobicContact CG1-CG1 4.35Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.5Å; V305-I309 PolarHBondContact O-N 2.99Å; V305-C323 HydrophobicContact CG1-CB 4.1Å; V305-I326 HydrophobicContact CB-CG2 4.48Å; V305-I326 HydrophobicContact CG1-CB 3.78Å; V305-I326 HydrophobicContact CG1-CD1 4.28Å; V305-I326 HydrophobicContact CG1-CG2 3.77Å; V305-I326 HydrophobicContact CG2-CB 4.49Å; V305-I326 HydrophobicContact CG2-CG2 3.87Å; V305-M327 HydrophobicContact CG2-CB 4.24Å
306Q97.1Very high95.6Very high38 Ų3871.3 Ų71.318%0.17836%0.358CS..Hα-helixtrans-58.5-37.8178.5-76.2177.1-9.200112.9L302 A304 S310 W319 C323 D398L302-Q306 HydrophobicContact CG-CG 4.37Å; L302-Q306 WeakPolarHBondContact O-CB 3.44Å; L302-Q306 VanDerWaalsContact O-CG 3.23Å; L302-Q306 WeakPolarHBondContact O-CG 3.41Å; L302-Q306 PolarHBondContact O-N 2.83Å; A304-Q306 VanDerWaalsContact C-N 3.34Å; A304-Q306 PolarHBondContact O-N 3.15Å; Q306-S310 WeakPolarHBondContact O-CA 2.98Å; Q306-S310 VanDerWaalsContact O-CB 3.29Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.38Å; Q306-W319 HydrophobicContact CB-CH2 3.63Å; Q306-W319 HydrophobicContact CB-CZ2 4.08Å; Q306-W319 HydrophobicContact CG-CH2 3.52Å; Q306-W319 HydrophobicContact CG-CZ2 4.2Å; Q306-W319 HydrophobicContact CG-CZ3 4.02Å; Q306-W319 WeakPolarHBondContact O-CZ2 3.3Å; Q306-C323 HydrophobicContact CG-CB 4.22Å; Q306-D398 VanDerWaalsContact NE2-CG 3.33Å; Q306-D398 PolarHBondContact NE2-OD1 3.37Å; Q306-D398 PolarHBondContact NE2-OD2 3.17Å
307R96.8Very high95.2Very high160 Ų16078.3 Ų78.360%0.60439%0.393SS*.Hα-helixtrans-67.1-44.2175.1-76.9-175.6-61.6-93.13111.2A303 A304 V305 S310A303-R307 WeakPolarHBondContact O-CG 3.2Å; A303-R307 PolarHBondContact O-N 2.87Å; A303-R307 PolarHBondContact O-NH1 3.14Å; A304-R307 PolarHBondContact O-N 2.81Å; V305-R307 VanDerWaalsContact C-N 3.28Å; V305-R307 PolarHBondContact O-N 3.06Å; R307-S310 VanDerWaalsContact O-CB 3.31Å; R307-S310 WeakPolarHBondContact O-CB 3.44Å; R307-S310 PolarHBondContact O-N 3.18Å; R307-S310 PolarHBondContact O-OG 2.67Å
308E95.6Very high95Very high160 Ų16080.1 Ų80.175%0.74841%0.405SS*.Hα-helixtrans-65.5-40.7-175.1-162.564.2-172.400112.5A304 V305A304-E308 PolarHBondContact O-N 3.35Å; V305-E308 PolarHBondContact O-N 2.78Å; V305-E308 VanDerWaalsContact O-N 3.11Å
309I95Very high94.9Very high32 Ų3280.8 Ų80.816%0.16441%0.407CS..THydrogen-bonded Turntrans-103.324179.564.1154.2000113.2V305 E311 W312 W319 I326V305-I309 HydrophobicContact CG1-CD1 4.5Å; V305-I309 HydrophobicContact CG1-CG1 4.35Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.5Å; V305-I309 PolarHBondContact O-N 2.99Å; I309-E311 VanDerWaalsContact C-N 3.3Å; I309-E311 PolarHBondContact O-N 3.33Å; I309-W312 PolarHBondContact O-N 2.82Å; I309-W312 VanDerWaalsContact O-N 3.13Å; I309-W319 HydrophobicContact CG1-CZ2 4.49Å; I309-W319 PolarHBondContact O-NE1 2.82Å; I309-I326 HydrophobicContact CD1-CD1 3.76Å; I309-I326 HydrophobicContact CG1-CD1 4.48Å; I309-I326 HydrophobicContact CG2-CD1 4.15Å
310S95.5Very high94.7Very high71 Ų7180.9 Ų80.950%0.49741%0.408SS..G310 helixtrans-62.7-32.4-173.156.80000113.9Q306 R307 W312 K313Q306-S310 WeakPolarHBondContact O-CA 2.98Å; Q306-S310 VanDerWaalsContact O-CB 3.29Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.38Å; R307-S310 VanDerWaalsContact O-CB 3.31Å; R307-S310 WeakPolarHBondContact O-CB 3.44Å; R307-S310 PolarHBondContact O-N 3.18Å; R307-S310 PolarHBondContact O-OG 2.67Å; S310-W312 PolarHBondContact O-N 2.97Å; S310-K313 VanDerWaalsContact O-CB 3.25Å; S310-K313 WeakPolarHBondContact O-CB 3.29Å; S310-K313 PolarHBondContact O-N 3.03Å
311E94.9Very high94.6Very high149 Ų14980.3 Ų80.370%0.69640%0.404SS*.G310 helixtrans-63.6-22.3177.368.1-175.8173.500113.4I309I309-E311 VanDerWaalsContact C-N 3.3Å; I309-E311 PolarHBondContact O-N 3.33Å
312W93.1Very high94.6Very high135 Ų13580.4 Ų80.451%0.51141%0.405SS..G310 helixtrans-90.31.1-179.5-58.796.7000113.2I309 S310 P315 M316I309-W312 PolarHBondContact O-N 2.82Å; I309-W312 VanDerWaalsContact O-N 3.13Å; S310-W312 PolarHBondContact O-N 2.97Å; W312-P315 VanDerWaalsContact C-CD 3.49Å; W312-P315 HydrophobicContact CE3-CG 4.26Å; W312-P315 WeakPolarHBondContact O-CD 3.47Å; W312-P315 WeakPolarHBondContact O-CG 3.43Å; W312-M316 HydrophobicContact CB-CE 4.26Å; W312-M316 WeakPolarHBondContact O-CB 3.44Å; W312-M316 PolarHBondContact O-N 2.74Å
313K92.8Very high94.5Very high107 Ų10780.4 Ų80.447%0.46540%0.404SS..THydrogen-bonded Turntrans-63-46.6-173.6-175.7177.4179.2-174.70114.4S310 W319S310-K313 VanDerWaalsContact O-CB 3.25Å; S310-K313 WeakPolarHBondContact O-CB 3.29Å; S310-K313 PolarHBondContact O-N 3.03Å; K313-W319 VanDerWaalsContact CA-CD1 3.45Å; K313-W319 HydrophobicContact CB-CD2 3.97Å; K313-W319 HydrophobicContact CB-CG 4.15Å; K313-W319 HydrophobicContact CB-CZ2 4.25Å; K313-W319 HydrophobicContact CD-CD2 4.48Å; K313-W319 HydrophobicContact CD-CE3 4.25Å; K313-W319 HydrophobicContact CD-CH2 4.17Å; K313-W319 HydrophobicContact CD-CZ2 4.42Å; K313-W319 HydrophobicContact CD-CZ3 4.1Å; K313-W319 HydrophobicContact CG-CD2 3.8Å; K313-W319 HydrophobicContact CG-CE3 3.9Å; K313-W319 HydrophobicContact CG-CG 4.2Å; K313-W319 HydrophobicContact CG-CH2 4.49Å; K313-W319 HydrophobicContact CG-CZ2 4.41Å; K313-W319 HydrophobicContact CG-CZ3 4.26Å
314D91.8Very high94.5Very high150 Ų15079.4 Ų79.480%0.80240%0.396SS*.THydrogen-bonded Turntrans-75.9-39.3-179.3-64-20.4000113.7M316D314-M316 VanDerWaalsContact C-N 3.29Å; D314-M316 PolarHBondContact O-N 3.48Å
315P91.8Very high94.6Very high94 Ų9481.8 Ų81.861%0.6140%0.403SS*.THydrogen-bonded Turntrans-78.7-4.3178.730.3-37.7000114.9W312W312-P315 VanDerWaalsContact C-CD 3.49Å; W312-P315 HydrophobicContact CE3-CG 4.26Å; W312-P315 WeakPolarHBondContact O-CD 3.47Å; W312-P315 WeakPolarHBondContact O-CG 3.43Å
316M91.1Very high94.5Very high56 Ų5684.1 Ų84.128%0.27641%0.414SS..  trans-120.2104-174.2-174.6-176.1-78.500111.1W312 D314 D318 W319 Q322W312-M316 HydrophobicContact CB-CE 4.26Å; W312-M316 WeakPolarHBondContact O-CB 3.44Å; W312-M316 PolarHBondContact O-N 2.74Å; D314-M316 VanDerWaalsContact C-N 3.29Å; D314-M316 PolarHBondContact O-N 3.48Å; M316-D318 WeakPolarHBondContact CG-OD1 3.34Å; M316-D318 PolarHBondContact O-N 3.24Å; M316-D318 VanDerWaalsContact O-N 3.16Å; M316-W319 HydrophobicContact CB-CB 4.15Å; M316-W319 HydrophobicContact CG-CB 4.18Å; M316-W319 WeakPolarHBondContact O-CB 3.5Å; M316-W319 PolarHBondContact O-N 3.5Å; M316-W319 VanDerWaalsContact O-N 3.13Å; M316-W319 HydrophobicContact SD-CB 4.14Å; M316-W319 HydrophobicContact SD-CG 4.44Å; M316-Q322 HydrophobicContact CE-CG 4.36Å; M316-Q322 HydrophobicContact CG-CG 4.36Å; M316-Q322 HydrophobicContact SD-CB 3.72Å; M316-Q322 HydrophobicContact SD-CG 3.45Å; M316-Q322 WeakPolarHBondContact SD-CG 3.19Å
317D88.9Confident94.5Very high175 Ų17582.3 Ų82.394%0.93641%0.406SS*.THydrogen-bonded Turntrans-59.2-30-176.2-68.9-26.2000113.5
318D92.6Very high94.5Very high69 Ų6978.1 Ų78.137%0.36939%0.392SS..THydrogen-bonded Turntrans-106.624.7-179.471.3-31.5000113.4M316 H320 L321 Q322M316-D318 WeakPolarHBondContact CG-OD1 3.34Å; M316-D318 PolarHBondContact O-N 3.24Å; M316-D318 VanDerWaalsContact O-N 3.16Å; D318-H320 PolarHBondContact O-N 3.21Å; D318-L321 HydrophobicContact CB-CB 4.37Å; D318-L321 WeakPolarHBondContact O-CA 3.46Å; D318-L321 WeakPolarHBondContact O-CB 3.34Å; D318-L321 PolarHBondContact O-N 3.39Å; D318-Q322 PolarHBondContact O-N 3.12Å; D318-Q322 VanDerWaalsContact O-N 3.09Å; D318-Q322 PolarHBondContact OD2-NE2 3.38Å
319W95.4Very high94.4Very high13 Ų1375.2 Ų75.25%0.04939%0.389CS..Hα-helixtrans-49.2-39.2-174.9-178.282.6000114.5Q306 I309 K313 M316 L321 Q322 C323Q306-W319 HydrophobicContact CB-CH2 3.63Å; Q306-W319 HydrophobicContact CB-CZ2 4.08Å; Q306-W319 HydrophobicContact CG-CH2 3.52Å; Q306-W319 HydrophobicContact CG-CZ2 4.2Å; Q306-W319 HydrophobicContact CG-CZ3 4.02Å; Q306-W319 WeakPolarHBondContact O-CZ2 3.3Å; I309-W319 HydrophobicContact CG1-CZ2 4.49Å; I309-W319 PolarHBondContact O-NE1 2.82Å; K313-W319 VanDerWaalsContact CA-CD1 3.45Å; K313-W319 HydrophobicContact CB-CD2 3.97Å; K313-W319 HydrophobicContact CB-CG 4.15Å; K313-W319 HydrophobicContact CB-CZ2 4.25Å; K313-W319 HydrophobicContact CD-CD2 4.48Å; K313-W319 HydrophobicContact CD-CE3 4.25Å; K313-W319 HydrophobicContact CD-CH2 4.17Å; K313-W319 HydrophobicContact CD-CZ2 4.42Å; K313-W319 HydrophobicContact CD-CZ3 4.1Å; K313-W319 HydrophobicContact CG-CD2 3.8Å; K313-W319 HydrophobicContact CG-CE3 3.9Å; K313-W319 HydrophobicContact CG-CG 4.2Å; K313-W319 HydrophobicContact CG-CH2 4.49Å; K313-W319 HydrophobicContact CG-CZ2 4.41Å; K313-W319 HydrophobicContact CG-CZ3 4.26Å; M316-W319 HydrophobicContact CB-CB 4.15Å; M316-W319 HydrophobicContact CG-CB 4.18Å; M316-W319 WeakPolarHBondContact O-CB 3.5Å; M316-W319 PolarHBondContact O-N 3.5Å; M316-W319 VanDerWaalsContact O-N 3.13Å; M316-W319 HydrophobicContact SD-CB 4.14Å; M316-W319 HydrophobicContact SD-CG 4.44Å; W319-L321 VanDerWaalsContact C-N 3.33Å; W319-L321 PolarHBondContact O-N 2.98Å; W319-Q322 PolarHBondContact O-N 2.91Å; W319-C323 VanDerWaalsContact CE2-SG 3.6Å; W319-C323 PolarHBondContact O-N 2.8Å; W319-C323 PolarHBondContact O-SG 2.85Å
320H94.1Very high94.3Very high56 Ų5677.7 Ų77.726%0.25941%0.409SS..Hα-helixtrans-63.6-36.7176.8-74.7-62.8000113.1D318 Q324 D398 K401D318-H320 PolarHBondContact O-N 3.21Å; H320-Q324 WeakPolarHBondContact O-CG 3.47Å; H320-Q324 PolarHBondContact O-N 2.97Å; H320-D398 IonicContact CE1-OD1 3.51Å; H320-D398 IonicContact ND1-OD1 3.04Å; H320-K401 PolarHBondContact CE1-NZ 2.92Å; H320-K401 PolarHBondContact NE2-NZ 2.81Å
321L94.7Very high94.2Very high90 Ų9075 Ų7547%0.47139%0.389SS..Hα-helixtrans-72-39.6175.8-177.761.8000110.8D318 W319 C323 Q324 L325D318-L321 HydrophobicContact CB-CB 4.37Å; D318-L321 WeakPolarHBondContact O-CA 3.46Å; D318-L321 WeakPolarHBondContact O-CB 3.34Å; D318-L321 PolarHBondContact O-N 3.39Å; W319-L321 VanDerWaalsContact C-N 3.33Å; W319-L321 PolarHBondContact O-N 2.98Å; L321-C323 VanDerWaalsContact C-N 3.31Å; L321-C323 PolarHBondContact O-N 2.97Å; L321-Q324 WeakPolarHBondContact O-CB 3.43Å; L321-Q324 PolarHBondContact O-N 2.59Å; L321-Q324 VanDerWaalsContact O-N 3.13Å; L321-L325 HydrophobicContact CG-CD1 4.44Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.39Å
322Q96Very high94.1Very high60 Ų6069.5 Ų69.528%0.2837%0.372SS..Hα-helixtrans-63.1-37.9174.6-61.2-57.6-34.100111.8M316 D318 W319 Q324 L325 I326M316-Q322 HydrophobicContact CE-CG 4.36Å; M316-Q322 HydrophobicContact CG-CG 4.36Å; M316-Q322 HydrophobicContact SD-CB 3.72Å; M316-Q322 HydrophobicContact SD-CG 3.45Å; M316-Q322 WeakPolarHBondContact SD-CG 3.19Å; D318-Q322 PolarHBondContact O-N 3.12Å; D318-Q322 VanDerWaalsContact O-N 3.09Å; D318-Q322 PolarHBondContact OD2-NE2 3.38Å; W319-Q322 PolarHBondContact O-N 2.91Å; Q322-Q324 VanDerWaalsContact C-N 3.34Å; Q322-Q324 PolarHBondContact O-N 3.45Å; Q322-L325 PolarHBondContact O-N 2.92Å; Q322-I326 WeakPolarHBondContact O-CG1 3.44Å; Q322-I326 PolarHBondContact O-N 3.31Å
323C97.4Very high94.3Very high0 Ų063.3 Ų63.30%035%0.349CS..Hα-helixtrans-58.7-43.9171.4-67.30000112L302 V305 Q306 W319 L321 M327L302-C323 HydrophobicContact CD1-CB 3.81Å; V305-C323 HydrophobicContact CG1-CB 4.1Å; Q306-C323 HydrophobicContact CG-CB 4.22Å; W319-C323 VanDerWaalsContact CE2-SG 3.6Å; W319-C323 PolarHBondContact O-N 2.8Å; W319-C323 PolarHBondContact O-SG 2.85Å; L321-C323 VanDerWaalsContact C-N 3.31Å; L321-C323 PolarHBondContact O-N 2.97Å; C323-M327 WeakPolarHBondContact O-CB 3.49Å; C323-M327 PolarHBondContact O-N 3.11Å
324Q97.4Very high94.5Very high5 Ų559.4 Ų59.42%0.02333%0.334CS..Hα-helixtrans-65-40176.9-66.5-72.5-37.500111.8H320 L321 Q322 M327 K328 D334 L402H320-Q324 WeakPolarHBondContact O-CG 3.47Å; H320-Q324 PolarHBondContact O-N 2.97Å; L321-Q324 WeakPolarHBondContact O-CB 3.43Å; L321-Q324 PolarHBondContact O-N 2.59Å; L321-Q324 VanDerWaalsContact O-N 3.13Å; Q322-Q324 VanDerWaalsContact C-N 3.34Å; Q322-Q324 PolarHBondContact O-N 3.45Å; Q324-M327 PolarHBondContact O-N 2.95Å; Q324-K328 VanDerWaalsContact O-CB 3.29Å; Q324-K328 WeakPolarHBondContact O-CB 3.13Å; Q324-K328 PolarHBondContact O-N 3.2Å; Q324-D334 HydrophobicContact CB-CB 4.29Å; Q324-L402 HydrophobicContact CG-CD1 4.4Å; Q324-L402 HydrophobicContact CG-CD2 3.84Å
325L96.8Very high94.8Very high85 Ų8552.4 Ų52.445%0.44530%0.296SS..Hα-helixtrans-63.6-44.3177.6-72.5169.8000112.3L321 Q322 K328 S329L321-L325 HydrophobicContact CG-CD1 4.44Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.39Å; Q322-L325 PolarHBondContact O-N 2.92Å; L325-K328 PolarHBondContact O-N 3.14Å; L325-S329 PolarHBondContact O-N 3.27Å; L325-S329 VanDerWaalsContact O-N 3.15Å
326I96.8Very high95.1Very high61 Ų6150.2 Ų50.231%0.31328%0.277SS..Hα-helixtrans-67.5-45.4175.9-64165.4000110.2V305 I309 Q322 K328 S329 C330V305-I326 HydrophobicContact CB-CG2 4.48Å; V305-I326 HydrophobicContact CG1-CB 3.78Å; V305-I326 HydrophobicContact CG1-CD1 4.28Å; V305-I326 HydrophobicContact CG1-CG2 3.77Å; V305-I326 HydrophobicContact CG2-CB 4.49Å; V305-I326 HydrophobicContact CG2-CG2 3.87Å; I309-I326 HydrophobicContact CD1-CD1 3.76Å; I309-I326 HydrophobicContact CG1-CD1 4.48Å; I309-I326 HydrophobicContact CG2-CD1 4.15Å; Q322-I326 WeakPolarHBondContact O-CG1 3.44Å; Q322-I326 PolarHBondContact O-N 3.31Å; I326-K328 PolarHBondContact O-N 2.96Å; I326-S329 PolarHBondContact O-N 3.4Å; I326-S329 VanDerWaalsContact O-N 3.09Å; I326-S329 PolarHBondContact O-OG 2.81Å; I326-C330 PolarHBondContact O-N 2.75Å; I326-C330 PolarHBondContact O-SG 2.99Å; I326-C330 VanDerWaalsContact O-SG 3.35Å
327M96.5Very high95.4Very high0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-56.7-42.4176.4-180-166.3174.600111.5L298 E301 L302 V305 C323 Q324 S329 C330 T331 Y335L298-M327 HydrophobicContact CB-CE 3.63Å; L298-M327 HydrophobicContact CD2-CE 3.46Å; L298-M327 VanDerWaalsContact CD2-CE 3.46Å; L298-M327 HydrophobicContact CG-CE 4.11Å; L298-M327 WeakPolarHBondContact O-CE 3.25Å; E301-M327 HydrophobicContact CB-CE 4.25Å; E301-M327 HydrophobicContact CB-CG 4.45Å; L302-M327 HydrophobicContact CB-CE 4.5Å; L302-M327 HydrophobicContact CB-SD 3.7Å; L302-M327 HydrophobicContact CD1-CB 4.36Å; L302-M327 HydrophobicContact CD1-SD 3.99Å; L302-M327 HydrophobicContact CG-SD 4.36Å; V305-M327 HydrophobicContact CG2-CB 4.24Å; C323-M327 WeakPolarHBondContact O-CB 3.49Å; C323-M327 PolarHBondContact O-N 3.11Å; Q324-M327 PolarHBondContact O-N 2.95Å; M327-S329 VanDerWaalsContact C-N 3.34Å; M327-S329 PolarHBondContact O-N 3.46Å; M327-C330 PolarHBondContact O-N 3.41Å; M327-T331 HydrophobicContact CE-CG2 4.49Å; M327-T331 HydrophobicContact CG-CG2 4.24Å; M327-T331 WeakPolarHBondContact O-CB 3.4Å; M327-T331 WeakPolarHBondContact O-CG2 3.49Å; M327-T331 PolarHBondContact O-N 3.02Å; M327-T331 PolarHBondContact O-OG1 2.95Å; M327-Y335 HydrophobicContact CE-CD1 4.23Å; M327-Y335 HydrophobicContact CE-CE1 3.93Å; M327-Y335 HydrophobicContact SD-CD1 4.19Å; M327-Y335 HydrophobicContact SD-CE1 4.01Å
328K96.4Very high95.8Very high73 Ų7341.2 Ų41.232%0.31723%0.228SC..Hα-helixtrans-61.7-40.4176.7-178.8175.1-178.7158.30112.2Q324 L325 I326 C330 G332 D334 E337Q324-K328 VanDerWaalsContact O-CB 3.29Å; Q324-K328 WeakPolarHBondContact O-CB 3.13Å; Q324-K328 PolarHBondContact O-N 3.2Å; L325-K328 PolarHBondContact O-N 3.14Å; I326-K328 PolarHBondContact O-N 2.96Å; K328-C330 VanDerWaalsContact C-N 3.29Å; K328-C330 PolarHBondContact O-N 2.66Å; K328-G332 CarbonylContact O-C 3.52Å; K328-G332 WeakPolarHBondContact O-CA 3.42Å; K328-G332 PolarHBondContact O-N 3.14Å; K328-D334 HydrophobicContact CB-CB 4.24Å; K328-E337 WeakPolarHBondContact CD-OE2 3.19Å; K328-E337 WeakPolarHBondContact CE-OE1 3.43Å; K328-E337 WeakPolarHBondContact CE-OE2 3.3Å; K328-E337 IonicContact NZ-OE1 2.79Å; K328-E337 PolarHBondContact NZ-OE1 3.39Å; K328-E337 IonicContact NZ-OE2 2.66Å; K328-E337 PolarHBondContact NZ-OE2 3.47Å
329S94.4Very high96.1Very high99 Ų9937.9 Ų37.969%0.69221%0.211SC*.Hα-helixtrans-69.4-29.3177.171.70000112.6L325 I326 M327L325-S329 PolarHBondContact O-N 3.27Å; L325-S329 VanDerWaalsContact O-N 3.15Å; I326-S329 PolarHBondContact O-N 3.4Å; I326-S329 VanDerWaalsContact O-N 3.09Å; I326-S329 PolarHBondContact O-OG 2.81Å; M327-S329 VanDerWaalsContact C-N 3.34Å; M327-S329 PolarHBondContact O-N 3.46Å
330C91.5Very high96.2Very high84 Ų8439.8 Ų39.857%0.56822%0.222SC*.Hα-helixtrans-79.3-40176.3-64.40000113.4I326 M327 K328I326-C330 PolarHBondContact O-N 2.75Å; I326-C330 PolarHBondContact O-SG 2.99Å; I326-C330 VanDerWaalsContact O-SG 3.35Å; M327-C330 PolarHBondContact O-N 3.41Å; K328-C330 VanDerWaalsContact C-N 3.29Å; K328-C330 PolarHBondContact O-N 2.66Å
331T93.4Very high96.4Very high15 Ų1537.2 Ų37.29%0.09221%0.21CC..Hα-helixtrans-109.5-17.3-168.765.20000113.9F194 F297 E301 M327 I333F194-T331 WeakPolarHBondContact CE1-O 3.42Å; F194-T331 WeakPolarHBondContact CZ-O 3.39Å; F297-T331 HydrophobicContact CE1-CG2 4.03Å; F297-T331 HydrophobicContact CZ-CG2 4.11Å; E301-T331 HydrophobicContact CB-CG2 3.72Å; E301-T331 HydrophobicContact CG-CG2 3.63Å; M327-T331 HydrophobicContact CE-CG2 4.49Å; M327-T331 HydrophobicContact CG-CG2 4.24Å; M327-T331 WeakPolarHBondContact O-CB 3.4Å; M327-T331 WeakPolarHBondContact O-CG2 3.49Å; M327-T331 PolarHBondContact O-N 3.02Å; M327-T331 PolarHBondContact O-OG1 2.95Å; T331-I333 PolarHBondContact OG1-O 2.94Å
332G94.2Very high96.6Very high33 Ų3332.9 Ų32.934%0.3419%0.187SC..SBendtrans96.2-20.3-177.900000114.7K328K328-G332 CarbonylContact O-C 3.52Å; K328-G332 WeakPolarHBondContact O-CA 3.42Å; K328-G332 PolarHBondContact O-N 3.14Å
333I96.4Very high96.7Very high4 Ų432.1 Ų32.12%0.02118%0.183CC..  trans-140.9151.4178.264.3175000112.1W167 F194 M294 L298 T331 E337 F338W167-I333 HydrophobicContact CH2-CG2 4.03Å; W167-I333 HydrophobicContact CZ2-CG2 3.9Å; F194-I333 HydrophobicContact CE1-CD1 4.07Å; F194-I333 HydrophobicContact CE1-CG1 3.82Å; F194-I333 HydrophobicContact CZ-CD1 4.18Å; F194-I333 HydrophobicContact CZ-CG1 4Å; F194-I333 HydrophobicContact CZ-CG2 4.4Å; M294-I333 HydrophobicContact CE-CD1 3.45Å; M294-I333 VanDerWaalsContact CE-CD1 3.45Å; L298-I333 HydrophobicContact CD1-CD1 4.08Å; L298-I333 HydrophobicContact CD2-CD1 4.31Å; L298-I333 HydrophobicContact CD2-CG1 4.01Å; T331-I333 PolarHBondContact OG1-O 2.94Å; I333-E337 WeakPolarHBondContact CA-OE2 3.49Å; I333-E337 HydrophobicContact CB-CB 3.84Å; I333-E337 HydrophobicContact CG2-CB 4.14Å; I333-F338 HydrophobicContact CD1-CB 4.13Å; I333-F338 HydrophobicContact CD1-CD2 4.12Å
334D97.3Very high96.7Very high26 Ų2633.3 Ų33.314%0.13919%0.19CC..  trans-96.9-178.2166.769.431.5000112.3Q324 K328 K336 E337 F338Q324-D334 HydrophobicContact CB-CB 4.29Å; K328-D334 HydrophobicContact CB-CB 4.24Å; D334-K336 VanDerWaalsContact C-N 3.33Å; D334-K336 PolarHBondContact O-N 3.23Å; D334-K336 WeakPolarHBondContact OD1-CA 3.33Å; D334-K336 WeakPolarHBondContact OD1-CB 3.26Å; D334-K336 PolarHBondContact OD1-N 2.95Å; D334-E337 PolarHBondContact N-OE2 2.79Å; D334-E337 VanDerWaalsContact N-OE2 3.15Å; D334-E337 PolarHBondContact O-N 2.84Å; D334-E337 PolarHBondContact OD1-N 3.48Å; D334-F338 PolarHBondContact O-N 2.76Å
335Y98.2Very high96.6Very high2 Ų233 Ų331%0.00819%0.189CC..Hα-helixtrans-66.1-29.5178.9-766.6000114.1W295 L298 Q299 L302 M327 F338 Y339 L393 D398 F399W295-Y335 HydrophobicContact CH2-CD1 4.4Å; W295-Y335 HydrophobicContact CH2-CD2 4.15Å; W295-Y335 AromaticContact CH2-CE1 3.98Å; W295-Y335 HydrophobicContact CH2-CE1 3.98Å; W295-Y335 AromaticContact CH2-CE2 3.72Å; W295-Y335 HydrophobicContact CH2-CE2 3.72Å; W295-Y335 HydrophobicContact CH2-CG 4.46Å; W295-Y335 AromaticContact CH2-CZ 3.6Å; W295-Y335 AromaticContact CZ3-CD1 3.85Å; W295-Y335 HydrophobicContact CZ3-CD1 3.85Å; W295-Y335 HydrophobicContact CZ3-CD2 4.38Å; W295-Y335 AromaticContact CZ3-CE1 3.56Å; W295-Y335 HydrophobicContact CZ3-CE1 3.56Å; W295-Y335 HydrophobicContact CZ3-CE2 4.14Å; W295-Y335 HydrophobicContact CZ3-CG 4.24Å; W295-Y335 AromaticContact CZ3-CZ 3.71Å; L298-Y335 HydrophobicContact CB-CE1 4.19Å; Q299-Y335 WeakPolarHBondContact CA-OH 3.33Å; Q299-Y335 WeakPolarHBondContact CG-OH 3.43Å; L302-Y335 HydrophobicContact CB-CE1 4.33Å; L302-Y335 HydrophobicContact CD2-CD2 4.38Å; L302-Y335 HydrophobicContact CD2-CE1 4.13Å; L302-Y335 HydrophobicContact CD2-CE2 3.58Å; L302-Y335 VanDerWaalsContact CD2-CZ 3.43Å; L302-Y335 WeakPolarHBondContact CD2-OH 3.42Å; M327-Y335 HydrophobicContact CE-CD1 4.23Å; M327-Y335 HydrophobicContact CE-CE1 3.93Å; M327-Y335 HydrophobicContact SD-CD1 4.19Å; M327-Y335 HydrophobicContact SD-CE1 4.01Å; Y335-F338 PolarHBondContact O-N 3.25Å; Y335-Y339 PolarHBondContact O-N 2.93Å; Y335-L393 HydrophobicContact CD2-CD1 4.47Å; Y335-D398 HydrophobicContact CE2-CB 4.14Å; Y335-F399 HydrophobicContact CD2-CB 4Å; Y335-F399 HydrophobicContact CD2-CD2 4.35Å
336K97.4Very high96.7Very high49 Ų4929 Ų2921%0.21317%0.168CC..Hα-helixtrans-72.1-38.9175.9-67.2-170.1-177.9-1730110.6D334 F338 Y339 N340 L402 D403 S406 L407D334-K336 VanDerWaalsContact C-N 3.33Å; D334-K336 PolarHBondContact O-N 3.23Å; D334-K336 WeakPolarHBondContact OD1-CA 3.33Å; D334-K336 WeakPolarHBondContact OD1-CB 3.26Å; D334-K336 PolarHBondContact OD1-N 2.95Å; K336-F338 VanDerWaalsContact C-N 3.33Å; K336-Y339 WeakPolarHBondContact O-CB 3.44Å; K336-Y339 PolarHBondContact O-N 2.7Å; K336-N340 PolarHBondContact O-N 3.22Å; K336-N340 PolarHBondContact O-ND2 3.36Å; K336-L402 HydrophobicContact CG-CD1 4Å; K336-D403 WeakPolarHBondContact CE-O 3.12Å; K336-D403 PolarHBondContact NZ-O 3.31Å; K336-S406 PolarHBondContact NZ-OG 2.81Å; K336-L407 HydrophobicContact CB-CD2 4.33Å; K336-L407 HydrophobicContact CG-CD2 4.45Å
337E97.1Very high96.5Very high41 Ų4129.9 Ų29.919%0.19217%0.17CC..Hα-helixtrans-67-36.4173.3-74.1174.1141.200111.4K328 I333 D334 Y339 N340 F341K328-E337 WeakPolarHBondContact CD-OE2 3.19Å; K328-E337 WeakPolarHBondContact CE-OE1 3.43Å; K328-E337 WeakPolarHBondContact CE-OE2 3.3Å; K328-E337 IonicContact NZ-OE1 2.79Å; K328-E337 PolarHBondContact NZ-OE1 3.39Å; K328-E337 IonicContact NZ-OE2 2.66Å; K328-E337 PolarHBondContact NZ-OE2 3.47Å; I333-E337 WeakPolarHBondContact CA-OE2 3.49Å; I333-E337 HydrophobicContact CB-CB 3.84Å; I333-E337 HydrophobicContact CG2-CB 4.14Å; D334-E337 PolarHBondContact N-OE2 2.79Å; D334-E337 VanDerWaalsContact N-OE2 3.15Å; D334-E337 PolarHBondContact O-N 2.84Å; D334-E337 PolarHBondContact OD1-N 3.48Å; E337-Y339 VanDerWaalsContact C-N 3.34Å; E337-Y339 PolarHBondContact O-N 3.15Å; E337-N340 PolarHBondContact O-N 2.78Å; E337-F341 WeakPolarHBondContact O-CB 3.46Å; E337-F341 PolarHBondContact O-N 3.26Å
338F98.4Very high96.4Very high0 Ų031.1 Ų31.10%018%0.177CC..Hα-helixtrans-63.7-37.3170.6-172.4-118.3000112.7V291 M294 W295 L298 I333 D334 Y335 K336 F341 L342 V389 L393V291-F338 HydrophobicContact CG2-CE2 4.44Å; V291-F338 HydrophobicContact CG2-CZ 4.19Å; M294-F338 HydrophobicContact CE-CD2 3.92Å; M294-F338 HydrophobicContact CE-CE2 3.98Å; M294-F338 HydrophobicContact CG-CE2 3.97Å; M294-F338 HydrophobicContact SD-CD2 4.4Å; M294-F338 HydrophobicContact SD-CE2 3.85Å; W295-F338 HydrophobicContact CB-CE1 3.88Å; W295-F338 HydrophobicContact CB-CZ 3.84Å; W295-F338 HydrophobicContact CD2-CD1 4.44Å; W295-F338 AromaticContact CD2-CE1 3.87Å; W295-F338 HydrophobicContact CD2-CE1 3.87Å; W295-F338 AromaticContact CE3-CD1 3.62Å; W295-F338 HydrophobicContact CE3-CD1 3.62Å; W295-F338 AromaticContact CE3-CE1 3.46Å; W295-F338 HydrophobicContact CE3-CE1 3.46Å; W295-F338 VanDerWaalsContact CE3-CE1 3.46Å; W295-F338 HydrophobicContact CE3-CZ 4.4Å; W295-F338 HydrophobicContact CG-CE1 4.07Å; W295-F338 HydrophobicContact CZ3-CD1 4.09Å; W295-F338 HydrophobicContact CZ3-CE1 4.34Å; L298-F338 HydrophobicContact CD1-CB 3.9Å; L298-F338 HydrophobicContact CD1-CD1 4.01Å; L298-F338 HydrophobicContact CD1-CD2 3.46Å; L298-F338 VanDerWaalsContact CD1-CD2 3.46Å; L298-F338 HydrophobicContact CD1-CE1 4.42Å; L298-F338 HydrophobicContact CD1-CE2 3.94Å; L298-F338 HydrophobicContact CD1-CG 3.51Å; L298-F338 HydrophobicContact CD1-CZ 4.39Å; I333-F338 HydrophobicContact CD1-CB 4.13Å; I333-F338 HydrophobicContact CD1-CD2 4.12Å; D334-F338 PolarHBondContact O-N 2.76Å; Y335-F338 PolarHBondContact O-N 3.25Å; K336-F338 VanDerWaalsContact C-N 3.33Å; F338-F341 HydrophobicContact CD2-CD1 4.02Å; F338-F341 AromaticContact CE2-CD1 3.89Å; F338-F341 HydrophobicContact CE2-CD1 3.89Å; F338-F341 HydrophobicContact CE2-CE1 4.21Å; F338-F341 WeakPolarHBondContact O-CB 3.39Å; F338-F341 PolarHBondContact O-N 3.13Å; F338-L342 HydrophobicContact CD1-CD1 4.33Å; F338-L342 HydrophobicContact CE1-CD1 3.92Å; F338-L342 HydrophobicContact CE1-CG 4.4Å; F338-L342 HydrophobicContact CZ-CD1 4.26Å; F338-L342 HydrophobicContact CZ-CD2 4.26Å; F338-L342 HydrophobicContact CZ-CG 4.33Å; F338-L342 WeakPolarHBondContact O-CG 3.19Å; F338-L342 PolarHBondContact O-N 2.95Å; F338-V389 HydrophobicContact CE1-CG1 3.78Å; F338-V389 HydrophobicContact CZ-CG1 3.84Å; F338-L393 HydrophobicContact CD1-CD1 4.45Å; F338-L393 HydrophobicContact CD1-CD2 4.13Å
339Y98.6Very high96.3Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-60.3-48.2169.6171.5-96.3000111.7Y335 K336 E337 F341 L342 K343 L390 L393 F399 L407 P409 P411 L414Y335-Y339 PolarHBondContact O-N 2.93Å; K336-Y339 WeakPolarHBondContact O-CB 3.44Å; K336-Y339 PolarHBondContact O-N 2.7Å; E337-Y339 VanDerWaalsContact C-N 3.34Å; E337-Y339 PolarHBondContact O-N 3.15Å; Y339-F341 VanDerWaalsContact C-N 3.28Å; Y339-F341 PolarHBondContact O-N 3.2Å; Y339-L342 PolarHBondContact O-N 2.62Å; Y339-L342 VanDerWaalsContact O-N 3.16Å; Y339-K343 HydrophobicContact CE1-CB 4.43Å; Y339-K343 HydrophobicContact CE1-CD 4.47Å; Y339-K343 WeakPolarHBondContact O-CB 3.44Å; Y339-K343 PolarHBondContact O-N 2.88Å; Y339-L390 HydrophobicContact CD2-CD1 3.68Å; Y339-L390 HydrophobicContact CE2-CD1 3.79Å; Y339-L393 HydrophobicContact CD2-CD2 4.43Å; Y339-F399 HydrophobicContact CD2-CZ 4.49Å; Y339-F399 HydrophobicContact CG-CZ 4.49Å; Y339-L407 HydrophobicContact CD1-CB 4.2Å; Y339-L407 HydrophobicContact CD1-CD1 3.73Å; Y339-L407 HydrophobicContact CD1-CD2 3.76Å; Y339-L407 HydrophobicContact CD1-CG 4.1Å; Y339-L407 HydrophobicContact CD2-CD1 4.49Å; Y339-L407 HydrophobicContact CE1-CB 3.85Å; Y339-L407 HydrophobicContact CE1-CD1 4.07Å; Y339-L407 HydrophobicContact CE1-CD2 4.24Å; Y339-L407 HydrophobicContact CE1-CG 4.27Å; Y339-L407 HydrophobicContact CG-CD1 3.94Å; Y339-P409 PolarHBondContact OH-O 3.16Å; Y339-P411 HydrophobicContact CD2-CB 4.49Å; Y339-P411 HydrophobicContact CD2-CG 4.18Å; Y339-P411 HydrophobicContact CE2-CB 3.97Å; Y339-P411 HydrophobicContact CE2-CG 3.83Å; Y339-L414 HydrophobicContact CE2-CD2 3.87Å
340N98Very high96.2Very high52 Ų5223.2 Ų23.228%0.27813%0.13SC..Hα-helixtrans-62.4-36.9179.1-71.7-35.9000112Y166 K336 E337 K343 V344Y166-N340 HydrophobicContact CE2-CB 4.2Å; K336-N340 PolarHBondContact O-N 3.22Å; K336-N340 PolarHBondContact O-ND2 3.36Å; E337-N340 PolarHBondContact O-N 2.78Å; N340-K343 PolarHBondContact O-N 3.33Å; N340-V344 WeakPolarHBondContact O-CG2 3.42Å; N340-V344 PolarHBondContact O-N 3.26Å
341F98.3Very high96.1Very high2 Ų220.7 Ų20.71%0.00911%0.114CC..Hα-helixtrans-55.6-55.6170168.9-93.5000111W162 Y166 V286 V291 M294 E337 F338 Y339 K343 V344 I345W162-F341 HydrophobicContact CB-CE2 3.99Å; W162-F341 HydrophobicContact CB-CZ 3.62Å; W162-F341 HydrophobicContact CE3-CE1 4.04Å; W162-F341 HydrophobicContact CE3-CZ 4.06Å; W162-F341 VanDerWaalsContact O-CE2 3.3Å; W162-F341 WeakPolarHBondContact O-CE2 3.38Å; Y166-F341 HydrophobicContact CD1-CB 4.43Å; Y166-F341 HydrophobicContact CD1-CD2 4Å; Y166-F341 HydrophobicContact CD2-CB 4.14Å; Y166-F341 HydrophobicContact CD2-CD2 4.38Å; Y166-F341 HydrophobicContact CE2-CB 4.26Å; Y166-F341 HydrophobicContact CG-CB 4.21Å; Y166-F341 AromaticContact CG-CD2 3.73Å; Y166-F341 HydrophobicContact CG-CD2 3.73Å; Y166-F341 HydrophobicContact CG-CG 4.46Å; V286-F341 HydrophobicContact CB-CZ 4.41Å; V286-F341 HydrophobicContact CG1-CZ 4.22Å; V291-F341 HydrophobicContact CG2-CE1 4.2Å; M294-F341 HydrophobicContact SD-CE1 4.31Å; M294-F341 HydrophobicContact SD-CZ 4.42Å; E337-F341 WeakPolarHBondContact O-CB 3.46Å; E337-F341 PolarHBondContact O-N 3.26Å; F338-F341 HydrophobicContact CD2-CD1 4.02Å; F338-F341 AromaticContact CE2-CD1 3.89Å; F338-F341 HydrophobicContact CE2-CD1 3.89Å; F338-F341 HydrophobicContact CE2-CE1 4.21Å; F338-F341 WeakPolarHBondContact O-CB 3.39Å; F338-F341 PolarHBondContact O-N 3.13Å; Y339-F341 VanDerWaalsContact C-N 3.28Å; Y339-F341 PolarHBondContact O-N 3.2Å; F341-K343 VanDerWaalsContact C-N 3.28Å; F341-K343 PolarHBondContact O-N 3.42Å; F341-V344 PolarHBondContact O-N 3.24Å; F341-I345 HydrophobicContact CZ-CG1 4.49Å; F341-I345 WeakPolarHBondContact O-CG1 3.5Å; F341-I345 PolarHBondContact O-N 2.97Å
342L98.6Very high95.8Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-59.9-38.5178.5-66.1176.2000112.6V291 F338 Y339 A346 T386 V389 L390 L393V291-L342 HydrophobicContact CG2-CD2 3.83Å; F338-L342 HydrophobicContact CD1-CD1 4.33Å; F338-L342 HydrophobicContact CE1-CD1 3.92Å; F338-L342 HydrophobicContact CE1-CG 4.4Å; F338-L342 HydrophobicContact CZ-CD1 4.26Å; F338-L342 HydrophobicContact CZ-CD2 4.26Å; F338-L342 HydrophobicContact CZ-CG 4.33Å; F338-L342 WeakPolarHBondContact O-CG 3.19Å; F338-L342 PolarHBondContact O-N 2.95Å; Y339-L342 PolarHBondContact O-N 2.62Å; Y339-L342 VanDerWaalsContact O-N 3.16Å; L342-A346 WeakPolarHBondContact O-CB 3.21Å; L342-A346 PolarHBondContact O-N 3.18Å; L342-T386 HydrophobicContact CB-CG2 4.15Å; L342-T386 HydrophobicContact CD2-CG2 4.33Å; L342-V389 HydrophobicContact CD1-CG1 3.99Å; L342-V389 HydrophobicContact CD2-CG1 4.39Å; L342-L390 HydrophobicContact CD1-CB 4.24Å; L342-L390 HydrophobicContact CD1-CD1 4.42Å; L342-L393 HydrophobicContact CD1-CD2 4.23Å
343K98Very high95.6Very high44 Ų4420.3 Ų20.319%0.19110%0.104CC..Hα-helixtrans-61.5-50.2177.2178.8-160.7158.7-172.30111.8Y339 N340 F341 I345 A346 E347 S408 L414Y339-K343 HydrophobicContact CE1-CB 4.43Å; Y339-K343 HydrophobicContact CE1-CD 4.47Å; Y339-K343 WeakPolarHBondContact O-CB 3.44Å; Y339-K343 PolarHBondContact O-N 2.88Å; N340-K343 PolarHBondContact O-N 3.33Å; F341-K343 VanDerWaalsContact C-N 3.28Å; F341-K343 PolarHBondContact O-N 3.42Å; K343-I345 VanDerWaalsContact C-N 3.31Å; K343-I345 PolarHBondContact O-N 2.8Å; K343-A346 WeakPolarHBondContact O-CB 3.44Å; K343-A346 PolarHBondContact O-N 3.21Å; K343-E347 WeakPolarHBondContact CE-OE1 3.23Å; K343-E347 VanDerWaalsContact CE-OE2 3.27Å; K343-E347 WeakPolarHBondContact CE-OE2 3.38Å; K343-E347 HydrophobicContact CG-CG 4.38Å; K343-E347 IonicContact NZ-OE1 3.42Å; K343-E347 WeakPolarHBondContact O-CG 3.42Å; K343-E347 PolarHBondContact O-N 3.2Å; K343-S408 WeakPolarHBondContact CD-O 3.47Å; K343-S408 WeakPolarHBondContact CE-O 3.39Å; K343-S408 PolarHBondContact NZ-O 3.41Å; K343-L414 HydrophobicContact CB-CD2 3.91Å; K343-L414 HydrophobicContact CG-CD2 4.18Å
344V96.6Very high95.1Very high24 Ų2426.2 Ų26.215%0.14513%0.131CC..Hα-helixtrans-58.7-45.9-179.4167.80000110.7Y166 A169 N340 F341 E347 N348Y166-V344 HydrophobicContact CD2-CB 4.12Å; Y166-V344 HydrophobicContact CD2-CG2 3.95Å; Y166-V344 HydrophobicContact CE2-CG2 4.32Å; A169-V344 HydrophobicContact CB-CG1 3.96Å; N340-V344 WeakPolarHBondContact O-CG2 3.42Å; N340-V344 PolarHBondContact O-N 3.26Å; F341-V344 PolarHBondContact O-N 3.24Å; V344-E347 PolarHBondContact O-N 3.15Å; V344-N348 WeakPolarHBondContact O-CB 3.31Å; V344-N348 PolarHBondContact O-N 3.43Å; V344-N348 VanDerWaalsContact O-N 3.08Å; V344-N348 PolarHBondContact O-ND2 3.01Å
345I96.9Very high94.1Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-61.6-48.5177.4-58.3-49.6000110.9W162 E165 F341 K343 E347 N348 R349W162-I345 HydrophobicContact CB-CD1 3.58Å; W162-I345 HydrophobicContact CB-CG1 3.85Å; W162-I345 HydrophobicContact CD2-CB 4.42Å; W162-I345 HydrophobicContact CD2-CD1 4.48Å; W162-I345 HydrophobicContact CD2-CG1 4.05Å; W162-I345 HydrophobicContact CD2-CG2 3.61Å; W162-I345 HydrophobicContact CE3-CB 4.43Å; W162-I345 HydrophobicContact CE3-CG1 4.08Å; W162-I345 HydrophobicContact CE3-CG2 3.89Å; W162-I345 HydrophobicContact CG-CD1 3.9Å; W162-I345 HydrophobicContact CG-CG1 3.97Å; W162-I345 HydrophobicContact CG-CG2 4.01Å; W162-I345 HydrophobicContact CH2-CG2 4.25Å; W162-I345 HydrophobicContact CZ2-CG2 4.02Å; W162-I345 HydrophobicContact CZ3-CG2 4.18Å; E165-I345 HydrophobicContact CB-CD1 4.01Å; E165-I345 HydrophobicContact CG-CD1 3.77Å; F341-I345 HydrophobicContact CZ-CG1 4.49Å; F341-I345 WeakPolarHBondContact O-CG1 3.5Å; F341-I345 PolarHBondContact O-N 2.97Å; K343-I345 VanDerWaalsContact C-N 3.31Å; K343-I345 PolarHBondContact O-N 2.8Å; I345-E347 PolarHBondContact O-N 2.75Å; I345-N348 PolarHBondContact O-N 2.65Å; I345-R349 HydrophobicContact CG2-CG 4.42Å; I345-R349 WeakPolarHBondContact O-CG 3.46Å; I345-R349 PolarHBondContact O-N 3.03Å; I345-R349 PolarHBondContact O-NH1 3.43Å
346A96.9Very high92.5Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-53.9-52.7178.100000112.5L342 K343 N348 R349 I350 L383 T386 L414 L418L342-A346 WeakPolarHBondContact O-CB 3.21Å; L342-A346 PolarHBondContact O-N 3.18Å; K343-A346 WeakPolarHBondContact O-CB 3.44Å; K343-A346 PolarHBondContact O-N 3.21Å; A346-N348 VanDerWaalsContact C-N 3.33Å; A346-N348 PolarHBondContact O-N 3.02Å; A346-R349 PolarHBondContact O-N 3.46Å; A346-I350 WeakPolarHBondContact O-CG1 3.38Å; A346-I350 PolarHBondContact O-N 3.07Å; A346-L383 HydrophobicContact CB-CD2 4.47Å; A346-T386 HydrophobicContact CB-CG2 4.24Å; A346-L414 HydrophobicContact CB-CD1 4.21Å; A346-L418 HydrophobicContact CB-CD1 4.25Å; A346-L418 HydrophobicContact CB-CD2 3.36Å; A346-L418 HydrophobicContact CB-CG 4.29Å
347E94.1Very high90.7Very high79 Ų7935.4 Ų35.437%0.36919%0.191SC..Hα-helixtrans-62.6-40.1-178.5-71.8175.8162.200111.7K343 V344 I345 I350 S351K343-E347 WeakPolarHBondContact CE-OE1 3.23Å; K343-E347 VanDerWaalsContact CE-OE2 3.27Å; K343-E347 WeakPolarHBondContact CE-OE2 3.38Å; K343-E347 HydrophobicContact CG-CG 4.38Å; K343-E347 IonicContact NZ-OE1 3.42Å; K343-E347 WeakPolarHBondContact O-CG 3.42Å; K343-E347 PolarHBondContact O-N 3.2Å; V344-E347 PolarHBondContact O-N 3.15Å; I345-E347 PolarHBondContact O-N 2.75Å; E347-I350 PolarHBondContact O-N 3.22Å; E347-S351 VanDerWaalsContact O-CB 3.32Å; E347-S351 WeakPolarHBondContact O-CB 3.47Å; E347-S351 PolarHBondContact O-N 3.2Å
348N92.9Very high88.7Confident27 Ų2737.8 Ų37.814%0.14421%0.205CC..Hα-helixtrans-65.9-39.6176.1-75.7-23.7000112.4E165 V344 I345 A346 S351 V352 K368E165-N348 WeakPolarHBondContact OE1-CB 3.1Å; E165-N348 PolarHBondContact OE1-ND2 3.48Å; V344-N348 WeakPolarHBondContact O-CB 3.31Å; V344-N348 PolarHBondContact O-N 3.43Å; V344-N348 VanDerWaalsContact O-N 3.08Å; V344-N348 PolarHBondContact O-ND2 3.01Å; I345-N348 PolarHBondContact O-N 2.65Å; A346-N348 VanDerWaalsContact C-N 3.33Å; A346-N348 PolarHBondContact O-N 3.02Å; N348-S351 PolarHBondContact O-N 2.99Å; N348-V352 WeakPolarHBondContact O-CG2 3.36Å; N348-V352 PolarHBondContact O-N 3.35Å; N348-K368 VanDerWaalsContact OD1-CE 3.3Å; N348-K368 WeakPolarHBondContact OD1-CE 3.44Å
349R94.3Very high86.4Confident0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-68.6-41.3175.7-61.8-46.2171.9-87.413.7112W162 E165 I345 A346 S351 V352 L353 A379 D382 L383W162-R349 VanDerWaalsContact CD1-NH2 3.32Å; E165-R349 VanDerWaalsContact CD-NH1 3.3Å; E165-R349 IonicContact OE1-CZ 3.09Å; E165-R349 IonicContact OE1-NH1 3.6Å; E165-R349 PolarHBondContact OE1-NH1 2.73Å; E165-R349 IonicContact OE1-NH2 3.59Å; E165-R349 IonicContact OE2-CZ 2.69Å; E165-R349 IonicContact OE2-NH1 3.82Å; E165-R349 PolarHBondContact OE2-NH1 2.84Å; E165-R349 IonicContact OE2-NH2 3.42Å; E165-R349 PolarHBondContact OE2-NH2 3.4Å; I345-R349 HydrophobicContact CG2-CG 4.42Å; I345-R349 WeakPolarHBondContact O-CG 3.46Å; I345-R349 PolarHBondContact O-N 3.03Å; I345-R349 PolarHBondContact O-NH1 3.43Å; A346-R349 PolarHBondContact O-N 3.46Å; R349-S351 VanDerWaalsContact C-N 3.33Å; R349-V352 PolarHBondContact O-N 3.36Å; R349-L353 WeakPolarHBondContact O-CG 3.48Å; R349-L353 PolarHBondContact O-N 3.21Å; R349-L353 VanDerWaalsContact O-N 3.11Å; R349-A379 HydrophobicContact CB-CB 4.25Å; R349-D382 HydrophobicContact CG-CB 3.94Å; R349-D382 IonicContact CZ-OD2 2.74Å; R349-D382 IonicContact NE-OD2 3.34Å; R349-D382 PolarHBondContact NE-OD2 3.04Å; R349-D382 IonicContact NH2-OD2 3.06Å; R349-L383 HydrophobicContact CB-CD1 4.28Å; R349-L383 HydrophobicContact CB-CD2 3.57Å; R349-L383 HydrophobicContact CB-CG 3.72Å; R349-L383 HydrophobicContact CG-CD2 4.18Å; R349-L383 HydrophobicContact CG-CG 4.41Å
350I93.2Very high84Confident5 Ų551.9 Ų51.93%0.02628%0.276CS..Hα-helixtrans-59.4-47.2174.7-70.2168.8000109.8A346 E347 V352 L353 E354 L383 L418 A421A346-I350 WeakPolarHBondContact O-CG1 3.38Å; A346-I350 PolarHBondContact O-N 3.07Å; E347-I350 PolarHBondContact O-N 3.22Å; I350-V352 VanDerWaalsContact C-N 3.27Å; I350-V352 PolarHBondContact O-N 3.37Å; I350-L353 PolarHBondContact O-N 2.8Å; I350-E354 VanDerWaalsContact CG2-CD 3.49Å; I350-E354 HydrophobicContact CG2-CG 4.07Å; I350-E354 WeakPolarHBondContact O-CG 3.47Å; I350-E354 PolarHBondContact O-N 2.91Å; I350-L383 HydrophobicContact CG1-CD1 4.08Å; I350-L383 HydrophobicContact CG1-CD2 4.41Å; I350-L418 HydrophobicContact CD1-CD2 3.66Å; I350-L418 HydrophobicContact CG1-CD2 4.29Å; I350-A421 HydrophobicContact CD1-CB 4.32Å; I350-A421 HydrophobicContact CG1-CB 3.81Å
351S89Confident81.5Confident32 Ų3250.3 Ų50.322%0.22427%0.27CS..Hα-helixtrans-56.2-40.1178.4-177.50000112.6E347 N348 R349 N355E347-S351 VanDerWaalsContact O-CB 3.32Å; E347-S351 WeakPolarHBondContact O-CB 3.47Å; E347-S351 PolarHBondContact O-N 3.2Å; N348-S351 PolarHBondContact O-N 2.99Å; R349-S351 VanDerWaalsContact C-N 3.33Å; S351-N355 WeakPolarHBondContact O-CB 3.42Å; S351-N355 PolarHBondContact O-N 3.4Å; S351-N355 PolarHBondContact O-ND2 3.5Å
352V87.3Confident79.1Confident13 Ų1354.5 Ų54.58%0.07929%0.292CS..Hα-helixtrans-66.8-37.4175.3169.80000112.2N348 R349 I350 G356 I371N348-V352 WeakPolarHBondContact O-CG2 3.36Å; N348-V352 PolarHBondContact O-N 3.35Å; R349-V352 PolarHBondContact O-N 3.36Å; I350-V352 VanDerWaalsContact C-N 3.27Å; I350-V352 PolarHBondContact O-N 3.37Å; V352-G356 PolarHBondContact O-N 2.9Å; V352-I371 HydrophobicContact CG1-CG2 4.4Å; V352-I371 HydrophobicContact CG2-CB 4.48Å; V352-I371 HydrophobicContact CG2-CG2 4.04Å
353L89.3Confident76.4Confident27 Ų2758.8 Ų58.814%0.14133%0.327CS..Hα-helixtrans-72.3-35.4178.4-66.9174.8000112.5R349 I350 M376 A379 V380 L383 A425R349-L353 WeakPolarHBondContact O-CG 3.48Å; R349-L353 PolarHBondContact O-N 3.21Å; R349-L353 VanDerWaalsContact O-N 3.11Å; I350-L353 PolarHBondContact O-N 2.8Å; L353-M376 HydrophobicContact CD2-CB 4.06Å; L353-M376 HydrophobicContact CD2-CE 4.07Å; L353-M376 HydrophobicContact CD2-CG 4.3Å; L353-A379 HydrophobicContact CD2-CB 4.05Å; L353-A379 HydrophobicContact CG-CB 4.19Å; L353-V380 HydrophobicContact CD1-CG2 4.26Å; L353-V380 HydrophobicContact CD2-CG2 4.05Å; L353-L383 HydrophobicContact CD1-CD1 3.57Å; L353-A425 HydrophobicContact CD1-CB 3.97Å; L353-A425 HydrophobicContact CD2-CB 3.98Å; L353-A425 HydrophobicContact CG-CB 4.45Å
354E86.3Confident73.9Confident128 Ų12863.8 Ų63.860%0.59835%0.349SS*.Hα-helixtrans-82.5-42.4-177.1-69.2178.5156.900113.5I350I350-E354 VanDerWaalsContact CG2-CD 3.49Å; I350-E354 HydrophobicContact CG2-CG 4.07Å; I350-E354 WeakPolarHBondContact O-CG 3.47Å; I350-E354 PolarHBondContact O-N 2.91Å
355N77.4Confident71.8Confident115 Ų11570.1 Ų70.162%0.61538%0.382SS*.Hα-helixtrans-100.9-6.7-169.4-56.2-70.3000113.6S351S351-N355 WeakPolarHBondContact O-CB 3.42Å; S351-N355 PolarHBondContact O-N 3.4Å; S351-N355 PolarHBondContact O-ND2 3.5Å
356G64.9Low70.1Confident39 Ų3972.2 Ų72.240%0.40240%0.395SS..  trans67.3-165.9-174.700000113.1V352 D358V352-G356 PolarHBondContact O-N 2.9Å; G356-D358 PolarHBondContact O-N 3.28Å
357L57.8Low68.4Low115 Ų11574 Ų7460%0.60241%0.406SS*.  trans-71.2115.1176.7-63.6169.9000109S372L357-S372 VanDerWaalsContact CD2-CB 3.42Å
358D56.3Low66.8Low91 Ų9174.3 Ų74.349%0.48741%0.406SS..  trans-84.6112.5170.7-172.90.5000109.3G356 E360 A361 L362G356-D358 PolarHBondContact O-N 3.28Å; D358-E360 PolarHBondContact O-N 3.27Å; D358-E360 PolarHBondContact OD1-N 2.79Å; D358-E360 VanDerWaalsContact OD1-N 3.17Å; D358-A361 HydrophobicContact CB-CB 3.89Å; D358-A361 WeakPolarHBondContact O-CB 3.36Å; D358-A361 PolarHBondContact O-N 2.93Å; D358-L362 PolarHBondContact O-N 2.77Å
359D50.4Low65.5Low136 Ų13673.6 Ų73.673%0.72740%0.404SS*.THydrogen-bonded Turntrans-61.2-25.8179.5-75.7-29.8000112
360E46.8Very low64.4Low161 Ų16174.5 Ų74.575%0.75241%0.412SS*.THydrogen-bonded Turntrans-76.1-27.9173.6-75.3-169.3168.500112.8D358 A363D358-E360 PolarHBondContact O-N 3.27Å; D358-E360 PolarHBondContact OD1-N 2.79Å; D358-E360 VanDerWaalsContact OD1-N 3.17Å; E360-A363 PolarHBondContact O-N 2.86Å
361A46.9Very low63.5Low18 Ų1874.3 Ų74.315%0.14941%0.411CS..G310 helixtrans-73-30.6178.400000112.4D358 A363 K364 A369D358-A361 HydrophobicContact CB-CB 3.89Å; D358-A361 WeakPolarHBondContact O-CB 3.36Å; D358-A361 PolarHBondContact O-N 2.93Å; A361-A363 PolarHBondContact O-N 3.37Å; A361-K364 PolarHBondContact O-N 3.41Å; A361-A369 WeakPolarHBondContact O-CB 3.31Å
362L48.1Very low62.9Low91 Ų9173.6 Ų73.648%0.47641%0.405SS..G310 helixtrans-62.3-26.3175.1-89.4144000113.6D358 K364D358-L362 PolarHBondContact O-N 2.77Å; L362-K364 VanDerWaalsContact C-N 3.29Å; L362-K364 PolarHBondContact O-N 3.31Å
363A42Very low62.7Low89 Ų8977.3 Ų77.374%0.73643%0.428SS*.G310 helixtrans-77-13.1-177.600000113.9E360 A361E360-A363 PolarHBondContact O-N 2.86Å; A361-A363 PolarHBondContact O-N 3.37Å
364K44.8Very low62.6Low149 Ų14976.2 Ų76.265%0.64842%0.423SS*.THydrogen-bonded Turntrans-119.3132.4175.9-65176.4-177.8171.70107.4A361 L362 T366A361-K364 PolarHBondContact O-N 3.41Å; L362-K364 VanDerWaalsContact C-N 3.29Å; L362-K364 PolarHBondContact O-N 3.31Å; K364-T366 HydrophobicContact CB-CG2 3.62Å; K364-T366 PolarHBondContact O-N 3.16Å; K364-T366 PolarHBondContact O-OG1 3.4Å
365N52.6Low62.8Low157 Ų15771.4 Ų71.484%0.8441%0.407SS*.THydrogen-bonded Turntrans-62.864.1172.3-79.2-21.8000111.3
366T61.3Low63.5Low45 Ų4571.2 Ų71.228%0.27640%0.404SS..  trans-97.7151.1-177.359.70000109.5K364 K368 A369 A370K364-T366 HydrophobicContact CB-CG2 3.62Å; K364-T366 PolarHBondContact O-N 3.16Å; K364-T366 PolarHBondContact O-OG1 3.4Å; T366-K368 PolarHBondContact O-N 3.28Å; T366-K368 VanDerWaalsContact O-N 3.14Å; T366-A369 WeakPolarHBondContact O-CB 3.29Å; T366-A369 PolarHBondContact O-N 2.93Å; T366-A369 PolarHBondContact OG1-N 3.04Å; T366-A370 PolarHBondContact O-N 3.46Å
367P59.7Low64.9Low36 Ų3671.5 Ų71.523%0.23440%0.396CS..Hα-helixtrans-52.8-34.6173.5-2834.8000113.3E165 A369 A370 I371E165-P367 HydrophobicContact CB-CB 3.88Å; E165-P367 HydrophobicContact CB-CG 4.22Å; E165-P367 HydrophobicContact CG-CB 3.61Å; E165-P367 HydrophobicContact CG-CG 4.22Å; P367-A369 PolarHBondContact O-N 3.47Å; P367-A370 WeakPolarHBondContact O-CB 3.37Å; P367-A370 PolarHBondContact O-N 2.91Å; P367-I371 WeakPolarHBondContact O-CD1 3.4Å; P367-I371 WeakPolarHBondContact O-CG1 3.28Å; P367-I371 PolarHBondContact O-N 3.17Å; P367-I371 VanDerWaalsContact O-N 3.08Å
368K61.6Low66.7Low87 Ų8766 Ų6638%0.37837%0.367SS..Hα-helixtrans-61.8-40.2175.7-71.2-171.7177.1-170.50113.2N348 T366 S372N348-K368 VanDerWaalsContact OD1-CE 3.3Å; N348-K368 WeakPolarHBondContact OD1-CE 3.44Å; T366-K368 PolarHBondContact O-N 3.28Å; T366-K368 VanDerWaalsContact O-N 3.14Å; K368-S372 VanDerWaalsContact O-CB 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.46Å; K368-S372 PolarHBondContact O-N 2.83Å; K368-S372 PolarHBondContact O-OG 3.35Å
369A65.1Low68.6Low11 Ų1161.7 Ų61.79%0.09134%0.344CS..Hα-helixtrans-67.2-38.2175.800000112.2A361 T366 P367 S372 T373A361-A369 WeakPolarHBondContact O-CB 3.31Å; T366-A369 WeakPolarHBondContact O-CB 3.29Å; T366-A369 PolarHBondContact O-N 2.93Å; T366-A369 PolarHBondContact OG1-N 3.04Å; P367-A369 PolarHBondContact O-N 3.47Å; A369-S372 WeakPolarHBondContact O-CB 3.21Å; A369-S372 PolarHBondContact O-N 3.23Å; A369-T373 PolarHBondContact O-N 3.21Å; A369-T373 VanDerWaalsContact O-N 3.09Å; A369-T373 PolarHBondContact O-OG1 2.88Å
370A71.9Confident70.7Confident20 Ų2055.3 Ų55.317%0.16531%0.31CS..Hα-helixtrans-60-49.3175.100000112.1T159 T366 P367 T373 L374T159-A370 HydrophobicContact CG2-CB 4.37Å; T366-A370 PolarHBondContact O-N 3.46Å; P367-A370 WeakPolarHBondContact O-CB 3.37Å; P367-A370 PolarHBondContact O-N 2.91Å; A370-T373 WeakPolarHBondContact O-CB 3.36Å; A370-T373 PolarHBondContact O-N 3.47Å; A370-L374 PolarHBondContact O-N 3.07Å
371I73.7Confident73.1Confident1 Ų147.8 Ų47.81%0.00528%0.275CS..Hα-helixtrans-66.2-41.5179.2-62.5147.4000111.5V352 P367 T373 L374 G375V352-I371 HydrophobicContact CG1-CG2 4.4Å; V352-I371 HydrophobicContact CG2-CB 4.48Å; V352-I371 HydrophobicContact CG2-CG2 4.04Å; P367-I371 WeakPolarHBondContact O-CD1 3.4Å; P367-I371 WeakPolarHBondContact O-CG1 3.28Å; P367-I371 PolarHBondContact O-N 3.17Å; P367-I371 VanDerWaalsContact O-N 3.08Å; I371-T373 PolarHBondContact O-N 2.95Å; I371-L374 WeakPolarHBondContact O-CA 3.2Å; I371-L374 WeakPolarHBondContact O-CB 3.12Å; I371-L374 PolarHBondContact O-N 3.32Å; I371-G375 PolarHBondContact O-N 2.83Å; I371-G375 VanDerWaalsContact O-N 3.12Å
372S76.3Confident75.5Confident16 Ų1647 Ų4711%0.11227%0.268CS..Hα-helixtrans-53.6-40.5175.2-71.70000111.5L357 K368 A369 L374 G375L357-S372 VanDerWaalsContact CD2-CB 3.42Å; K368-S372 VanDerWaalsContact O-CB 3.24Å; K368-S372 WeakPolarHBondContact O-CB 3.46Å; K368-S372 PolarHBondContact O-N 2.83Å; K368-S372 PolarHBondContact O-OG 3.35Å; A369-S372 WeakPolarHBondContact O-CB 3.21Å; A369-S372 PolarHBondContact O-N 3.23Å; S372-L374 VanDerWaalsContact C-N 3.33Å; S372-L374 PolarHBondContact O-N 2.82Å; S372-G375 PolarHBondContact O-N 3.25Å
373T82.7Confident77.9Confident91 Ų9142.6 Ų42.656%0.55825%0.245SC*.Hα-helixtrans-65.6-32.3175.1-54.30000112.8V156 A369 A370 I371 G375V156-T373 HydrophobicContact CG2-CG2 4.2Å; A369-T373 PolarHBondContact O-N 3.21Å; A369-T373 VanDerWaalsContact O-N 3.09Å; A369-T373 PolarHBondContact O-OG1 2.88Å; A370-T373 WeakPolarHBondContact O-CB 3.36Å; A370-T373 PolarHBondContact O-N 3.47Å; I371-T373 PolarHBondContact O-N 2.95Å; T373-G375 VanDerWaalsContact C-N 3.33Å
374L88.8Confident80.5Confident5 Ų541.5 Ų41.53%0.02622%0.224CC..Hα-helixtrans-78.1-18.8177.9-59.7180000113M1 Y42 V156 A370 I371 S372 H378M1-L374 PolarHBondContact N-O 3.45Å; Y42-L374 HydrophobicContact CD1-CD2 3.95Å; Y42-L374 HydrophobicContact CD2-CD2 3.55Å; Y42-L374 HydrophobicContact CE1-CD2 3.96Å; Y42-L374 HydrophobicContact CE2-CD1 4.3Å; Y42-L374 HydrophobicContact CE2-CD2 3.56Å; Y42-L374 HydrophobicContact CG-CD2 3.75Å; V156-L374 HydrophobicContact CG2-CD2 3.98Å; A370-L374 PolarHBondContact O-N 3.07Å; I371-L374 WeakPolarHBondContact O-CA 3.2Å; I371-L374 WeakPolarHBondContact O-CB 3.12Å; I371-L374 PolarHBondContact O-N 3.32Å; S372-L374 VanDerWaalsContact C-N 3.33Å; S372-L374 PolarHBondContact O-N 2.82Å; L374-H378 HydrophobicContact CB-CB 3.81Å
375G89.8Confident83Confident26 Ų2635 Ų3527%0.26820%0.195SC..  trans84.4167.1170.600000115.3I371 S372 T373 L377 H378 A379I371-G375 PolarHBondContact O-N 2.83Å; I371-G375 VanDerWaalsContact O-N 3.12Å; S372-G375 PolarHBondContact O-N 3.25Å; T373-G375 VanDerWaalsContact C-N 3.33Å; G375-L377 VanDerWaalsContact C-N 3.34Å; G375-L377 PolarHBondContact O-N 3.04Å; G375-H378 VanDerWaalsContact O-CB 3.31Å; G375-H378 WeakPolarHBondContact O-CB 3.35Å; G375-H378 PolarHBondContact O-N 3.09Å; G375-A379 PolarHBondContact O-N 2.92Å
376M92.4Very high85.2Confident111 Ų11127.5 Ų27.555%0.54716%0.155SC..Hα-helixtrans-57-39.6-171.5-64.9176.972.300114.1L353 H378 A379 V380L353-M376 HydrophobicContact CD2-CB 4.06Å; L353-M376 HydrophobicContact CD2-CE 4.07Å; L353-M376 HydrophobicContact CD2-CG 4.3Å; M376-H378 PolarHBondContact O-N 3.15Å; M376-A379 WeakPolarHBondContact O-CB 3.27Å; M376-A379 PolarHBondContact O-N 3.08Å; M376-A379 VanDerWaalsContact O-N 3.1Å; M376-V380 WeakPolarHBondContact O-CG2 3.42Å; M376-V380 PolarHBondContact O-N 3.37Å
377L94.2Very high86.9Confident45 Ų4526.3 Ų26.324%0.23615%0.148CC..Hα-helixtrans-62.9-32.3178.7-67.5177.7000112.3M1 R3 F6 G375 F381M1-L377 HydrophobicContact SD-CB 4.5Å; R3-L377 HydrophobicContact CB-CD1 4.36Å; R3-L377 HydrophobicContact CG-CD1 3.73Å; F6-L377 HydrophobicContact CB-CB 4.22Å; F6-L377 HydrophobicContact CB-CD1 4.24Å; F6-L377 HydrophobicContact CD1-CD2 4.15Å; F6-L377 HydrophobicContact CD2-CB 4.12Å; F6-L377 VanDerWaalsContact CD2-O 3.28Å; F6-L377 WeakPolarHBondContact CD2-O 3.39Å; F6-L377 HydrophobicContact CE1-CD2 4.37Å; F6-L377 WeakPolarHBondContact CE2-O 3.38Å; F6-L377 HydrophobicContact CG-CB 4.21Å; F6-L377 HydrophobicContact CG-CD2 4.21Å; G375-L377 VanDerWaalsContact C-N 3.34Å; G375-L377 PolarHBondContact O-N 3.04Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 PolarHBondContact O-N 2.84Å
378H95.4Very high88.7Confident0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-68.1-44.1173.2-165.7-66.3000111M1 Y42 F46 S160 L374 G375 M376 V380 F381 D382M1-H378 HydrophobicContact CB-CB 3.88Å; M1-H378 HydrophobicContact CE-CB 4.3Å; M1-H378 VanDerWaalsContact CE-CD2 3.49Å; M1-H378 WeakPolarHBondContact CE-CD2 3.46Å; Y42-H378 AromaticContact CE1-CD2 3.64Å; Y42-H378 AromaticContact CE1-NE2 3.98Å; Y42-H378 AromaticContact CZ-CD2 3.85Å; Y42-H378 AromaticContact CZ-NE2 3.74Å; Y42-H378 PolarHBondContact OH-CD2 3.43Å; Y42-H378 PolarHBondContact OH-NE2 3.4Å; F46-H378 AromaticContact CE2-NE2 3.8Å; S160-H378 PolarHBondContact OG-CE1 2.73Å; S160-H378 VanDerWaalsContact OG-CE1 3.26Å; L374-H378 HydrophobicContact CB-CB 3.81Å; G375-H378 VanDerWaalsContact O-CB 3.31Å; G375-H378 WeakPolarHBondContact O-CB 3.35Å; G375-H378 PolarHBondContact O-N 3.09Å; M376-H378 PolarHBondContact O-N 3.15Å; H378-V380 VanDerWaalsContact C-N 3.33Å; H378-V380 PolarHBondContact O-N 3.29Å; H378-F381 WeakPolarHBondContact O-CB 3.42Å; H378-F381 PolarHBondContact O-N 3.45Å; H378-D382 VanDerWaalsContact CE1-CG 3.5Å; H378-D382 IonicContact CE1-OD1 3.32Å; H378-D382 PolarHBondContact CE1-OD1 3.39Å; H378-D382 IonicContact CE1-OD2 2.82Å; H378-D382 PolarHBondContact CE1-OD2 2.82Å; H378-D382 VanDerWaalsContact CE1-OD2 3.23Å; H378-D382 IonicContact ND1-OD1 2.72Å; H378-D382 IonicContact ND1-OD2 3.39Å; H378-D382 PolarHBondContact ND1-OD2 3.09Å; H378-D382 VanDerWaalsContact ND1-OD2 3.09Å; H378-D382 PolarHBondContact O-N 2.86Å
379A95.3Very high90.4Very high0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-60.6-42.7176.300000111.8R349 L353 G375 M376 F381 D382 L383R349-A379 HydrophobicContact CB-CB 4.25Å; L353-A379 HydrophobicContact CD2-CB 4.05Å; L353-A379 HydrophobicContact CG-CB 4.19Å; G375-A379 PolarHBondContact O-N 2.92Å; M376-A379 WeakPolarHBondContact O-CB 3.27Å; M376-A379 PolarHBondContact O-N 3.08Å; M376-A379 VanDerWaalsContact O-N 3.1Å; A379-F381 PolarHBondContact O-N 3.44Å; A379-D382 PolarHBondContact O-N 2.89Å; A379-L383 WeakPolarHBondContact O-CG 3.42Å; A379-L383 PolarHBondContact O-N 2.96Å
380V96.1Very high92Very high2 Ų224.5 Ų24.51%0.01213%0.134CC..Hα-helixtrans-62.9-41.1174.3175.50000111.6F6 L353 M376 H378 L383 K384 I422 A425 L426F6-V380 HydrophobicContact CE2-CB 4.19Å; F6-V380 HydrophobicContact CE2-CG1 3.96Å; F6-V380 HydrophobicContact CZ-CB 4.42Å; F6-V380 HydrophobicContact CZ-CG1 3.8Å; L353-V380 HydrophobicContact CD1-CG2 4.26Å; L353-V380 HydrophobicContact CD2-CG2 4.05Å; M376-V380 WeakPolarHBondContact O-CG2 3.42Å; M376-V380 PolarHBondContact O-N 3.37Å; H378-V380 VanDerWaalsContact C-N 3.33Å; H378-V380 PolarHBondContact O-N 3.29Å; V380-L383 PolarHBondContact O-N 3.25Å; V380-K384 HydrophobicContact CG1-CD 4.44Å; V380-K384 WeakPolarHBondContact O-CG 3.21Å; V380-K384 PolarHBondContact O-N 2.93Å; V380-I422 HydrophobicContact CG1-CG2 4.3Å; V380-A425 HydrophobicContact CG2-CB 3.71Å; V380-L426 HydrophobicContact CG1-CD1 4.24Å; V380-L426 HydrophobicContact CG1-CD2 4.14Å; V380-L426 HydrophobicContact CG1-CG 4.21Å
381F96.8Very high93.3Very high4 Ų426.5 Ų26.52%0.01815%0.145CC..Hα-helixtrans-58.7-52.6174.2169-96.8000110.7M1 F6 S9 F13 F46 L377 H378 A379 L383 K384 R385M1-F381 HydrophobicContact CE-CB 4.03Å; M1-F381 HydrophobicContact CE-CD1 4.07Å; M1-F381 HydrophobicContact CE-CG 4.02Å; M1-F381 HydrophobicContact SD-CB 4.17Å; F6-F381 HydrophobicContact CD2-CB 4.09Å; F6-F381 HydrophobicContact CE2-CB 4.06Å; S9-F381 VanDerWaalsContact OG-CD2 3.28Å; S9-F381 WeakPolarHBondContact OG-CD2 3.37Å; F13-F381 AromaticContact CD2-CE2 3.72Å; F13-F381 HydrophobicContact CD2-CE2 3.72Å; F13-F381 HydrophobicContact CD2-CZ 4Å; F13-F381 AromaticContact CE2-CE2 3.9Å; F13-F381 HydrophobicContact CE2-CE2 3.9Å; F13-F381 AromaticContact CE2-CZ 3.7Å; F13-F381 HydrophobicContact CE2-CZ 3.7Å; F46-F381 HydrophobicContact CE2-CD1 4.49Å; F46-F381 HydrophobicContact CE2-CE1 4.16Å; F46-F381 AromaticContact CZ-CD1 3.96Å; F46-F381 HydrophobicContact CZ-CD1 3.96Å; F46-F381 AromaticContact CZ-CE1 3.55Å; F46-F381 HydrophobicContact CZ-CE1 3.55Å; F46-F381 HydrophobicContact CZ-CE2 4.32Å; F46-F381 AromaticContact CZ-CZ 3.75Å; F46-F381 HydrophobicContact CZ-CZ 3.75Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 PolarHBondContact O-N 2.84Å; H378-F381 WeakPolarHBondContact O-CB 3.42Å; H378-F381 PolarHBondContact O-N 3.45Å; A379-F381 PolarHBondContact O-N 3.44Å; F381-L383 VanDerWaalsContact C-N 3.33Å; F381-L383 PolarHBondContact O-N 3.2Å; F381-K384 WeakPolarHBondContact O-CB 3.42Å; F381-K384 PolarHBondContact O-N 3.24Å; F381-K384 VanDerWaalsContact O-N 3.13Å; F381-R385 HydrophobicContact CD1-CG 4.35Å; F381-R385 HydrophobicContact CD2-CG 4.35Å; F381-R385 HydrophobicContact CE1-CG 3.89Å; F381-R385 HydrophobicContact CE2-CG 3.9Å; F381-R385 HydrophobicContact CZ-CG 3.65Å; F381-R385 WeakPolarHBondContact O-CG 3.48Å; F381-R385 PolarHBondContact O-N 3.2Å
382D97.3Very high94.4Very high0 Ų028.9 Ų28.90%016%0.161CC..Hα-helixtrans-55.5-47.3179.2-76.3-10.7000111.5W162 R349 H378 A379 K384 R385 T386W162-D382 HydrophobicContact CH2-CB 4.4Å; W162-D382 HydrophobicContact CZ2-CB 3.54Å; W162-D382 VanDerWaalsContact CZ2-CG 3.42Å; W162-D382 WeakPolarHBondContact CZ2-OD1 3.49Å; W162-D382 PolarHBondContact NE1-OD2 3.1Å; R349-D382 HydrophobicContact CG-CB 3.94Å; R349-D382 IonicContact CZ-OD2 2.74Å; R349-D382 IonicContact NE-OD2 3.34Å; R349-D382 PolarHBondContact NE-OD2 3.04Å; R349-D382 IonicContact NH2-OD2 3.06Å; H378-D382 VanDerWaalsContact CE1-CG 3.5Å; H378-D382 IonicContact CE1-OD1 3.32Å; H378-D382 PolarHBondContact CE1-OD1 3.39Å; H378-D382 IonicContact CE1-OD2 2.82Å; H378-D382 PolarHBondContact CE1-OD2 2.82Å; H378-D382 VanDerWaalsContact CE1-OD2 3.23Å; H378-D382 IonicContact ND1-OD1 2.72Å; H378-D382 IonicContact ND1-OD2 3.39Å; H378-D382 PolarHBondContact ND1-OD2 3.09Å; H378-D382 VanDerWaalsContact ND1-OD2 3.09Å; H378-D382 PolarHBondContact O-N 2.86Å; A379-D382 PolarHBondContact O-N 2.89Å; D382-K384 PolarHBondContact O-N 3.13Å; D382-R385 WeakPolarHBondContact O-CB 3.25Å; D382-R385 PolarHBondContact O-N 3.26Å; D382-R385 VanDerWaalsContact O-N 3.09Å; D382-T386 PolarHBondContact O-N 2.9Å; D382-T386 PolarHBondContact O-OG1 3.44Å; D382-T386 VanDerWaalsContact O-OG1 3.13Å
383L97.6Very high95.5Very high0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-60.5-42.1177.3-71.7-171.7000112.9A346 R349 I350 L353 A379 V380 F381 R385 T386 V387 L418 A421 I422A346-L383 HydrophobicContact CB-CD2 4.47Å; R349-L383 HydrophobicContact CB-CD1 4.28Å; R349-L383 HydrophobicContact CB-CD2 3.57Å; R349-L383 HydrophobicContact CB-CG 3.72Å; R349-L383 HydrophobicContact CG-CD2 4.18Å; R349-L383 HydrophobicContact CG-CG 4.41Å; I350-L383 HydrophobicContact CG1-CD1 4.08Å; I350-L383 HydrophobicContact CG1-CD2 4.41Å; L353-L383 HydrophobicContact CD1-CD1 3.57Å; A379-L383 WeakPolarHBondContact O-CG 3.42Å; A379-L383 PolarHBondContact O-N 2.96Å; V380-L383 PolarHBondContact O-N 3.25Å; F381-L383 VanDerWaalsContact C-N 3.33Å; F381-L383 PolarHBondContact O-N 3.2Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.19Å; L383-T386 PolarHBondContact O-N 2.96Å; L383-V387 WeakPolarHBondContact O-CG2 3.37Å; L383-V387 PolarHBondContact O-N 2.68Å; L383-L418 HydrophobicContact CD2-CD2 3.48Å; L383-L418 VanDerWaalsContact CD2-CD2 3.48Å; L383-A421 HydrophobicContact CD1-CB 4.28Å; L383-I422 HydrophobicContact CB-CD1 3.8Å; L383-I422 HydrophobicContact CB-CG1 3.65Å; L383-I422 HydrophobicContact CD1-CG1 4.11Å
384K97.1Very high96.2Very high65 Ų6524.8 Ų24.828%0.28314%0.136SC..Hα-helixtrans-60-38.3174.9-76.7177.7175.8-177.20111.7V380 F381 D382 K388 I422V380-K384 HydrophobicContact CG1-CD 4.44Å; V380-K384 WeakPolarHBondContact O-CG 3.21Å; V380-K384 PolarHBondContact O-N 2.93Å; F381-K384 WeakPolarHBondContact O-CB 3.42Å; F381-K384 PolarHBondContact O-N 3.24Å; F381-K384 VanDerWaalsContact O-N 3.13Å; D382-K384 PolarHBondContact O-N 3.13Å; K384-K388 PolarHBondContact O-N 3.06Å; K384-I422 HydrophobicContact CG-CD1 4.03Å; K384-I422 HydrophobicContact CG-CG2 4.33Å
385R97.6Very high96.6Very high12 Ų1227.3 Ų27.35%0.04516%0.158CC..Hα-helixtrans-70.1-43.2177.3-60-54.8-57.3160.5-2.1111.3F13 W162 G288 V291 F381 D382 L383 V387 K388 V389F13-R385 VanDerWaalsContact CD1-NH1 3.34Å; F13-R385 VanDerWaalsContact CD1-NH2 3.33Å; W162-R385 HydrophobicContact CH2-CB 4.36Å; G288-R385 WeakPolarHBondContact O-CG 3.31Å; G288-R385 PolarHBondContact O-NE 3.25Å; V291-R385 HydrophobicContact CG1-CB 4.36Å; F381-R385 HydrophobicContact CD1-CG 4.35Å; F381-R385 HydrophobicContact CD2-CG 4.35Å; F381-R385 HydrophobicContact CE1-CG 3.89Å; F381-R385 HydrophobicContact CE2-CG 3.9Å; F381-R385 HydrophobicContact CZ-CG 3.65Å; F381-R385 WeakPolarHBondContact O-CG 3.48Å; F381-R385 PolarHBondContact O-N 3.2Å; D382-R385 WeakPolarHBondContact O-CB 3.25Å; D382-R385 PolarHBondContact O-N 3.26Å; D382-R385 VanDerWaalsContact O-N 3.09Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.19Å; R385-V387 PolarHBondContact O-N 2.81Å; R385-K388 PolarHBondContact O-N 3.41Å; R385-V389 PolarHBondContact O-N 2.85Å; R385-V389 VanDerWaalsContact O-N 3.08Å
386T98.1Very high97Very high0 Ų027.3 Ų27.30%015%0.152CC..Hα-helixtrans-60-44.7174.2-58.30000111.8W162 L342 A346 D382 L383 K388 V389 L390 L418W162-T386 WeakPolarHBondContact CH2-OG1 3.44Å; L342-T386 HydrophobicContact CB-CG2 4.15Å; L342-T386 HydrophobicContact CD2-CG2 4.33Å; A346-T386 HydrophobicContact CB-CG2 4.24Å; D382-T386 PolarHBondContact O-N 2.9Å; D382-T386 PolarHBondContact O-OG1 3.44Å; D382-T386 VanDerWaalsContact O-OG1 3.13Å; L383-T386 PolarHBondContact O-N 2.96Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.46Å; T386-V389 PolarHBondContact O-N 3.29Å; T386-L390 WeakPolarHBondContact O-CB 3.49Å; T386-L390 PolarHBondContact O-N 2.85Å; T386-L418 HydrophobicContact CG2-CD1 3.9Å
387V98.2Very high97.2Very high20 Ų2027.5 Ų27.512%0.12115%0.152CC..Hα-helixtrans-57.8-44.3175.8168.40000111.5L383 R385 T391 L415 L418 K419 I422L383-V387 WeakPolarHBondContact O-CG2 3.37Å; L383-V387 PolarHBondContact O-N 2.68Å; R385-V387 PolarHBondContact O-N 2.81Å; V387-T391 VanDerWaalsContact O-CB 3.28Å; V387-T391 WeakPolarHBondContact O-CB 3.46Å; V387-T391 PolarHBondContact O-N 3.21Å; V387-T391 PolarHBondContact O-OG1 3.25Å; V387-L415 HydrophobicContact CG1-CD2 4.3Å; V387-L418 HydrophobicContact CG2-CB 3.55Å; V387-L418 HydrophobicContact CG2-CD1 3.97Å; V387-L418 HydrophobicContact CG2-CG 4.4Å; V387-K419 HydrophobicContact CG1-CG 4.44Å; V387-K419 HydrophobicContact CG2-CG 4.47Å; V387-I422 HydrophobicContact CG2-CD1 3.93Å
388K96.9Very high97.3Very high92 Ų9226.8 Ų26.840%0.415%0.148SC..Hα-helixtrans-62-47.9179.4-170.6175.5-173.6172.30111.2F13 Y16 K384 R385 T386 S392F13-K388 PolarHBondContact O-NZ 3.11Å; Y16-K388 PolarHBondContact O-NZ 2.79Å; K384-K388 PolarHBondContact O-N 3.06Å; R385-K388 PolarHBondContact O-N 3.41Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.46Å; K388-S392 PolarHBondContact O-N 3.38Å
389V97.9Very high97.4Very high4 Ų426.8 Ų26.82%0.02415%0.148CC..Hα-helixtrans-71.6-44.1-178.4177.80000111.7V291 A292 W295 F338 L342 R385 T386 T391 S392 L393V291-V389 HydrophobicContact CG1-CG2 3.92Å; V291-V389 HydrophobicContact CG2-CG1 4.47Å; V291-V389 HydrophobicContact CG2-CG2 4.38Å; A292-V389 HydrophobicContact CB-CG2 4.06Å; W295-V389 HydrophobicContact CB-CG1 3.86Å; W295-V389 HydrophobicContact CG-CG1 3.98Å; F338-V389 HydrophobicContact CE1-CG1 3.78Å; F338-V389 HydrophobicContact CZ-CG1 3.84Å; L342-V389 HydrophobicContact CD1-CG1 3.99Å; L342-V389 HydrophobicContact CD2-CG1 4.39Å; R385-V389 PolarHBondContact O-N 2.85Å; R385-V389 VanDerWaalsContact O-N 3.08Å; T386-V389 PolarHBondContact O-N 3.29Å; V389-T391 VanDerWaalsContact C-N 3.29Å; V389-T391 PolarHBondContact O-N 3.29Å; V389-S392 CarbonylContact O-C 3.57Å; V389-S392 WeakPolarHBondContact O-CA 3.26Å; V389-S392 WeakPolarHBondContact O-CB 3.43Å; V389-S392 PolarHBondContact O-N 2.97Å; V389-L393 PolarHBondContact O-N 3.02Å
390L98.4Very high97.4Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-62.2-37.9177.9-179.157.6000111.5Y339 L342 T386 S392 L393 S394 P411 L414 L415 L418Y339-L390 HydrophobicContact CD2-CD1 3.68Å; Y339-L390 HydrophobicContact CE2-CD1 3.79Å; L342-L390 HydrophobicContact CD1-CB 4.24Å; L342-L390 HydrophobicContact CD1-CD1 4.42Å; T386-L390 WeakPolarHBondContact O-CB 3.49Å; T386-L390 PolarHBondContact O-N 2.85Å; L390-S392 VanDerWaalsContact C-N 3.31Å; L390-S392 PolarHBondContact O-N 3.06Å; L390-L393 HydrophobicContact CD1-CD2 4.27Å; L390-L393 PolarHBondContact O-N 3.25Å; L390-S394 WeakPolarHBondContact O-CB 3.42Å; L390-S394 PolarHBondContact O-N 3.04Å; L390-S394 PolarHBondContact O-OG 2.86Å; L390-S394 VanDerWaalsContact O-OG 3.12Å; L390-P411 HydrophobicContact CD1-CB 4.4Å; L390-L414 HydrophobicContact CD2-CB 4.14Å; L390-L414 HydrophobicContact CD2-CD2 3.7Å; L390-L414 HydrophobicContact CD2-CG 3.85Å; L390-L415 HydrophobicContact CB-CD2 3.89Å; L390-L415 HydrophobicContact CB-CG 4.48Å; L390-L415 HydrophobicContact CD2-CD2 3.74Å; L390-L415 HydrophobicContact CD2-CG 3.65Å; L390-L415 HydrophobicContact CG-CD1 4.29Å; L390-L415 HydrophobicContact CG-CD2 3.74Å; L390-L415 HydrophobicContact CG-CG 3.76Å; L390-L418 HydrophobicContact CD2-CD1 4.08Å
391T98.3Very high97.4Very high63 Ų6336.5 Ų36.539%0.38719%0.19SC..Hα-helixtrans-61.4-41172.6-58.30000111.2V387 V389 A395V387-T391 VanDerWaalsContact O-CB 3.28Å; V387-T391 WeakPolarHBondContact O-CB 3.46Å; V387-T391 PolarHBondContact O-N 3.21Å; V387-T391 PolarHBondContact O-OG1 3.25Å; V389-T391 VanDerWaalsContact C-N 3.29Å; V389-T391 PolarHBondContact O-N 3.29Å; T391-A395 WeakPolarHBondContact O-CB 3.33Å; T391-A395 PolarHBondContact O-N 2.62Å; T391-A395 VanDerWaalsContact O-N 3.09Å
392S97.8Very high97.2Very high50 Ų5037.2 Ų37.235%0.3519%0.194SC..Hα-helixtrans-66.9-39.6175.9-173.50000112.6W295 K388 V389 L390 A395 N396W295-S392 PolarHBondContact NE1-OG 3.08Å; K388-S392 PolarHBondContact O-N 3.38Å; V389-S392 CarbonylContact O-C 3.57Å; V389-S392 WeakPolarHBondContact O-CA 3.26Å; V389-S392 WeakPolarHBondContact O-CB 3.43Å; V389-S392 PolarHBondContact O-N 2.97Å; L390-S392 VanDerWaalsContact C-N 3.31Å; L390-S392 PolarHBondContact O-N 3.06Å; S392-A395 PolarHBondContact O-N 3.25Å; S392-N396 PolarHBondContact O-N 3.45Å
393L98.1Very high97Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-63.6-49.4176.4177.563.5000110.6W295 Y335 F338 Y339 L342 V389 L390 A395 N396 F399W295-L393 HydrophobicContact CE3-CD1 4.32Å; W295-L393 HydrophobicContact CH2-CD1 3.35Å; W295-L393 HydrophobicContact CZ2-CB 4.41Å; W295-L393 HydrophobicContact CZ2-CD1 3.96Å; W295-L393 HydrophobicContact CZ3-CD1 3.56Å; Y335-L393 HydrophobicContact CD2-CD1 4.47Å; F338-L393 HydrophobicContact CD1-CD1 4.45Å; F338-L393 HydrophobicContact CD1-CD2 4.13Å; Y339-L393 HydrophobicContact CD2-CD2 4.43Å; L342-L393 HydrophobicContact CD1-CD2 4.23Å; V389-L393 PolarHBondContact O-N 3.02Å; L390-L393 HydrophobicContact CD1-CD2 4.27Å; L390-L393 PolarHBondContact O-N 3.25Å; L393-A395 PolarHBondContact O-N 2.83Å; L393-N396 VanDerWaalsContact O-CB 3.28Å; L393-N396 WeakPolarHBondContact O-CB 3.41Å; L393-N396 PolarHBondContact O-N 3.25Å; L393-F399 HydrophobicContact CD1-CB 4.06Å; L393-F399 HydrophobicContact CD1-CD1 4.18Å; L393-F399 HydrophobicContact CD1-CD2 3.78Å; L393-F399 HydrophobicContact CD1-CE2 4.21Å; L393-F399 HydrophobicContact CD1-CG 3.74Å; L393-F399 HydrophobicContact CD2-CE1 4.46Å; L393-F399 HydrophobicContact CD2-CE2 4.32Å; L393-F399 HydrophobicContact CD2-CZ 4.19Å; L393-F399 HydrophobicContact CG-CD1 3.95Å; L393-F399 HydrophobicContact CG-CD2 4.2Å; L393-F399 HydrophobicContact CG-CE1 4.02Å; L393-F399 HydrophobicContact CG-CE2 4.26Å; L393-F399 HydrophobicContact CG-CG 4.03Å; L393-F399 HydrophobicContact CG-CZ 4.17Å; L393-F399 WeakPolarHBondContact O-CD1 3.38Å
394S97.4Very high96.8Very high21 Ų2143.7 Ų43.715%0.14723%0.228CC..Hα-helixtrans-60.5-29.1176.4-64.50000113.2L390 K400 P411L390-S394 WeakPolarHBondContact O-CB 3.42Å; L390-S394 PolarHBondContact O-N 3.04Å; L390-S394 PolarHBondContact O-OG 2.86Å; L390-S394 VanDerWaalsContact O-OG 3.12Å; S394-K400 WeakPolarHBondContact O-CE 3.29Å; S394-P411 WeakPolarHBondContact OG-CB 3.35Å
395A97.4Very high96.5Very high59 Ų5946.6 Ų46.649%0.48825%0.252SS..Hα-helixtrans-81.2-15.9176.400000113.7T391 S392 L393 K400T391-A395 WeakPolarHBondContact O-CB 3.33Å; T391-A395 PolarHBondContact O-N 2.62Å; T391-A395 VanDerWaalsContact O-N 3.09Å; S392-A395 PolarHBondContact O-N 3.25Å; L393-A395 PolarHBondContact O-N 2.83Å; A395-K400 WeakPolarHBondContact O-CE 3.45Å; A395-K400 PolarHBondContact O-NZ 3.04Å
396N98.1Very high96.2Very high26 Ų2649.4 Ų49.414%0.13927%0.273CS..  trans-72130.9-175-177.9-77.4000112W295 Q299 S392 L393 D398 F399 K400W295-N396 HydrophobicContact CH2-CB 4.25Å; W295-N396 HydrophobicContact CZ2-CB 3.92Å; Q299-N396 PolarHBondContact OE1-ND2 2.61Å; S392-N396 PolarHBondContact O-N 3.45Å; L393-N396 VanDerWaalsContact O-CB 3.28Å; L393-N396 WeakPolarHBondContact O-CB 3.41Å; L393-N396 PolarHBondContact O-N 3.25Å; N396-D398 PolarHBondContact O-N 3.21Å; N396-D398 PolarHBondContact OD1-N 3.2Å; N396-F399 HydrophobicContact CB-CB 4.18Å; N396-F399 PolarHBondContact O-N 2.9Å; N396-F399 PolarHBondContact OD1-N 2.86Å; N396-F399 VanDerWaalsContact OD1-N 3.14Å; N396-K400 WeakPolarHBondContact O-CG 3.26Å; N396-K400 PolarHBondContact O-N 3.19Å; N396-K400 VanDerWaalsContact O-N 3.12Å
397E96.9Very high96.1Very high115 Ų11549.9 Ų49.954%0.53728%0.276SS..Hα-helixtrans-67.5-32.9-175-67.2-56.4126.900113.7K400 K401E397-K400 IonicContact OE1-NZ 3.91Å; E397-K400 PolarHBondContact OE1-NZ 3.01Å; E397-K401 WeakPolarHBondContact O-CE 3.4Å; E397-K401 WeakPolarHBondContact O-CG 3.35Å; E397-K401 PolarHBondContact O-N 2.87Å
398D96.9Very high95.9Very high29 Ų2953 Ų5316%0.15530%0.299CS..Hα-helixtrans-75.4-32.6177.7-70.3-39.8000111.8L302 Q306 H320 Y335 N396 K401L302-D398 HydrophobicContact CD2-CB 3.71Å; Q306-D398 VanDerWaalsContact NE2-CG 3.33Å; Q306-D398 PolarHBondContact NE2-OD1 3.37Å; Q306-D398 PolarHBondContact NE2-OD2 3.17Å; H320-D398 IonicContact CE1-OD1 3.51Å; H320-D398 IonicContact ND1-OD1 3.04Å; Y335-D398 HydrophobicContact CE2-CB 4.14Å; N396-D398 PolarHBondContact O-N 3.21Å; N396-D398 PolarHBondContact OD1-N 3.2Å; D398-K401 PolarHBondContact O-N 3.11Å; D398-K401 IonicContact OD1-NZ 3.01Å; D398-K401 PolarHBondContact OD1-NZ 3.01Å
399F97.4Very high95.9Very high1 Ų150.3 Ų50.30%0.00429%0.29CS..Hα-helixtrans-65.3-41.8172.1-174.1-115.5000112.3Y335 Y339 L393 N396 K401 L402 L404 L407 P411Y335-F399 HydrophobicContact CD2-CB 4Å; Y335-F399 HydrophobicContact CD2-CD2 4.35Å; Y339-F399 HydrophobicContact CD2-CZ 4.49Å; Y339-F399 HydrophobicContact CG-CZ 4.49Å; L393-F399 HydrophobicContact CD1-CB 4.06Å; L393-F399 HydrophobicContact CD1-CD1 4.18Å; L393-F399 HydrophobicContact CD1-CD2 3.78Å; L393-F399 HydrophobicContact CD1-CE2 4.21Å; L393-F399 HydrophobicContact CD1-CG 3.74Å; L393-F399 HydrophobicContact CD2-CE1 4.46Å; L393-F399 HydrophobicContact CD2-CE2 4.32Å; L393-F399 HydrophobicContact CD2-CZ 4.19Å; L393-F399 HydrophobicContact CG-CD1 3.95Å; L393-F399 HydrophobicContact CG-CD2 4.2Å; L393-F399 HydrophobicContact CG-CE1 4.02Å; L393-F399 HydrophobicContact CG-CE2 4.26Å; L393-F399 HydrophobicContact CG-CG 4.03Å; L393-F399 HydrophobicContact CG-CZ 4.17Å; L393-F399 WeakPolarHBondContact O-CD1 3.38Å; N396-F399 HydrophobicContact CB-CB 4.18Å; N396-F399 PolarHBondContact O-N 2.9Å; N396-F399 PolarHBondContact OD1-N 2.86Å; N396-F399 VanDerWaalsContact OD1-N 3.14Å; F399-K401 PolarHBondContact O-N 3.43Å; F399-L402 HydrophobicContact CD2-CD1 4.02Å; F399-L402 WeakPolarHBondContact O-CB 3.35Å; F399-L402 PolarHBondContact O-N 3.05Å; F399-L404 HydrophobicContact CD1-CD2 4.33Å; F399-L404 HydrophobicContact CD2-CD2 4.31Å; F399-L404 HydrophobicContact CE1-CD1 4.18Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CD2 3.85Å; F399-L404 HydrophobicContact CZ-CD2 3.61Å; F399-L407 HydrophobicContact CE2-CD1 4.35Å; F399-L407 HydrophobicContact CZ-CD1 3.78Å; F399-P411 HydrophobicContact CE1-CG 4.03Å; F399-P411 HydrophobicContact CZ-CG 4.25Å
400K95.9Very high95.8Very high101 Ų10153.2 Ų53.244%0.43931%0.309SS..Hα-helixtrans-62.5-22.3177.9-70.4173.4-166.5164.30114S394 A395 N396 E397 L402S394-K400 WeakPolarHBondContact O-CE 3.29Å; A395-K400 WeakPolarHBondContact O-CE 3.45Å; A395-K400 PolarHBondContact O-NZ 3.04Å; N396-K400 WeakPolarHBondContact O-CG 3.26Å; N396-K400 PolarHBondContact O-N 3.19Å; N396-K400 VanDerWaalsContact O-N 3.12Å; E397-K400 IonicContact OE1-NZ 3.91Å; E397-K400 PolarHBondContact OE1-NZ 3.01Å; K400-L402 VanDerWaalsContact C-N 3.3Å
401K94.3Very high95.7Very high105 Ų10553.3 Ų53.346%0.45731%0.31SS..THydrogen-bonded Turntrans-79.3-14.1176.7-66.8168.4-161.4166.30112.9H320 E397 D398 F399H320-K401 PolarHBondContact CE1-NZ 2.92Å; H320-K401 PolarHBondContact NE2-NZ 2.81Å; E397-K401 WeakPolarHBondContact O-CE 3.4Å; E397-K401 WeakPolarHBondContact O-CG 3.35Å; E397-K401 PolarHBondContact O-N 2.87Å; D398-K401 PolarHBondContact O-N 3.11Å; D398-K401 IonicContact OD1-NZ 3.01Å; D398-K401 PolarHBondContact OD1-NZ 3.01Å; F399-K401 PolarHBondContact O-N 3.43Å
402L94.2Very high95.6Very high19 Ų1956 Ų5610%0.09932%0.318CS..SBendtrans-79.1154.3179.8-53-176.8000110.7Q324 K336 F399 K400 L404Q324-L402 HydrophobicContact CG-CD1 4.4Å; Q324-L402 HydrophobicContact CG-CD2 3.84Å; K336-L402 HydrophobicContact CG-CD1 4Å; F399-L402 HydrophobicContact CD2-CD1 4.02Å; F399-L402 WeakPolarHBondContact O-CB 3.35Å; F399-L402 PolarHBondContact O-N 3.05Å; K400-L402 VanDerWaalsContact C-N 3.3Å; L402-L404 HydrophobicContact CB-CD2 4.22Å; L402-L404 WeakPolarHBondContact O-CG 3.28Å; L402-L404 PolarHBondContact O-N 3.03Å
403D92.3Very high95.5Very high90 Ų9056 Ų5648%0.48132%0.321SS..  trans-70.198170.7172.624.8000111.1K336 T405 S406K336-D403 WeakPolarHBondContact CE-O 3.12Å; K336-D403 PolarHBondContact NZ-O 3.31Å; D403-T405 VanDerWaalsContact C-N 3.31Å; D403-T405 WeakPolarHBondContact OD1-CB 3.26Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.19Å; D403-T405 PolarHBondContact OD1-N 3.44Å; D403-T405 PolarHBondContact OD1-OG1 2.95Å; D403-T405 PolarHBondContact OD2-OG1 2.79Å; D403-S406 PolarHBondContact O-OG 3.23Å
404L92.8Very high95.5Very high45 Ų4556.1 Ų56.124%0.23632%0.322CS..G310 helixtrans-82-6.6-179.8-53.7-175.6000113.3F399 L402 S406 L407F399-L404 HydrophobicContact CD1-CD2 4.33Å; F399-L404 HydrophobicContact CD2-CD2 4.31Å; F399-L404 HydrophobicContact CE1-CD1 4.18Å; F399-L404 HydrophobicContact CE1-CD2 3.85Å; F399-L404 HydrophobicContact CE2-CD2 3.85Å; F399-L404 HydrophobicContact CZ-CD2 3.61Å; L402-L404 HydrophobicContact CB-CD2 4.22Å; L402-L404 WeakPolarHBondContact O-CG 3.28Å; L402-L404 PolarHBondContact O-N 3.03Å; L404-S406 PolarHBondContact O-N 3.18Å; L404-L407 HydrophobicContact CB-CD1 4.33Å; L404-L407 HydrophobicContact CD2-CD1 3.76Å; L404-L407 WeakPolarHBondContact O-CB 3.32Å; L404-L407 PolarHBondContact O-N 3.29Å
405T91.8Very high95.5Very high126 Ų12656 Ų5677%0.77332%0.32SS*.G310 helixtrans-67-24.6-178.967.90000112.7D403 L407D403-T405 VanDerWaalsContact C-N 3.31Å; D403-T405 WeakPolarHBondContact OD1-CB 3.26Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.19Å; D403-T405 PolarHBondContact OD1-N 3.44Å; D403-T405 PolarHBondContact OD1-OG1 2.95Å; D403-T405 PolarHBondContact OD2-OG1 2.79Å; T405-L407 PolarHBondContact O-N 3.13Å
406S91.3Very high95.4Very high72 Ų7260 Ų6050%0.50333%0.328SS..G310 helixtrans-70.3-1417258.40000114.4K336 D403 L404K336-S406 PolarHBondContact NZ-OG 2.81Å; D403-S406 PolarHBondContact O-OG 3.23Å; L404-S406 PolarHBondContact O-N 3.18Å
407L95.2Very high95.4Very high9 Ų962.8 Ų62.85%0.04734%0.34CS..  trans-87.4125.9-178.2-56-176.4000110.8K336 Y339 F399 L404 T405 P409 P411K336-L407 HydrophobicContact CB-CD2 4.33Å; K336-L407 HydrophobicContact CG-CD2 4.45Å; Y339-L407 HydrophobicContact CD1-CB 4.2Å; Y339-L407 HydrophobicContact CD1-CD1 3.73Å; Y339-L407 HydrophobicContact CD1-CD2 3.76Å; Y339-L407 HydrophobicContact CD1-CG 4.1Å; Y339-L407 HydrophobicContact CD2-CD1 4.49Å; Y339-L407 HydrophobicContact CE1-CB 3.85Å; Y339-L407 HydrophobicContact CE1-CD1 4.07Å; Y339-L407 HydrophobicContact CE1-CD2 4.24Å; Y339-L407 HydrophobicContact CE1-CG 4.27Å; Y339-L407 HydrophobicContact CG-CD1 3.94Å; F399-L407 HydrophobicContact CE2-CD1 4.35Å; F399-L407 HydrophobicContact CZ-CD1 3.78Å; L404-L407 HydrophobicContact CB-CD1 4.33Å; L404-L407 HydrophobicContact CD2-CD1 3.76Å; L404-L407 WeakPolarHBondContact O-CB 3.32Å; L404-L407 PolarHBondContact O-N 3.29Å; T405-L407 PolarHBondContact O-N 3.13Å; L407-P409 CarbonylContact C-O 3.6Å; L407-P409 CarbonylContact O-C 3.57Å; L407-P411 HydrophobicContact CD1-CG 4.18Å
408S94.3Very high95.3Very high87 Ų8757.3 Ų57.361%0.60831%0.314SS*.SBendtrans-131.5121.7176.7-177.60000110.3K343K343-S408 WeakPolarHBondContact CD-O 3.47Å; K343-S408 WeakPolarHBondContact CE-O 3.39Å; K343-S408 PolarHBondContact NZ-O 3.41Å
409P96.3Very high95.2Very high34 Ų3460.9 Ų60.922%0.22133%0.328CS..SBendcis-63.9168-929.7-36.2000111.9Y339 L407 A413 L414Y339-P409 PolarHBondContact OH-O 3.16Å; L407-P409 CarbonylContact C-O 3.6Å; L407-P409 CarbonylContact O-C 3.57Å; P409-A413 HydrophobicContact CB-CB 4.25Å; P409-L414 HydrophobicContact CG-CB 3.99Å; P409-L414 HydrophobicContact CG-CD1 4.25Å
410P96.6Very high95.1Very high65 Ų6562.8 Ų62.842%0.42234%0.344SS..  trans-63.4152.5166-22.934.1000112E412 A413 L414P410-E412 VanDerWaalsContact C-N 3.32Å; P410-E412 PolarHBondContact O-N 3.15Å; P410-A413 WeakPolarHBondContact O-CB 3.48Å; P410-A413 PolarHBondContact O-N 3.18Å; P410-A413 VanDerWaalsContact O-N 3.09Å; P410-L414 PolarHBondContact O-N 3.23Å
411P96.7Very high95.1Very high2 Ų258.6 Ų58.61%0.01333%0.328CS..Hα-helixtrans-54.6-40.2-176.8-27.635.2000115Y339 L390 S394 F399 L407 L414 L415Y339-P411 HydrophobicContact CD2-CB 4.49Å; Y339-P411 HydrophobicContact CD2-CG 4.18Å; Y339-P411 HydrophobicContact CE2-CB 3.97Å; Y339-P411 HydrophobicContact CE2-CG 3.83Å; L390-P411 HydrophobicContact CD1-CB 4.4Å; S394-P411 WeakPolarHBondContact OG-CB 3.35Å; F399-P411 HydrophobicContact CE1-CG 4.03Å; F399-P411 HydrophobicContact CZ-CG 4.25Å; L407-P411 HydrophobicContact CD1-CG 4.18Å; P411-L414 PolarHBondContact O-N 3.18Å; P411-L415 WeakPolarHBondContact O-CB 3.23Å; P411-L415 WeakPolarHBondContact O-CG 2.92Å; P411-L415 PolarHBondContact O-N 3.1Å
412E95.5Very high95.1Very high120 Ų12054.2 Ų54.256%0.56131%0.31SS*.Hα-helixtrans-66.8-38.8179.4-63.271.9-156.500111.8P410 L415 H416P410-E412 VanDerWaalsContact C-N 3.32Å; P410-E412 PolarHBondContact O-N 3.15Å; E412-L415 PolarHBondContact O-N 3.02Å; E412-H416 PolarHBondContact O-N 3.07Å
413A96.9Very high95Very high50 Ų5058.3 Ų58.341%0.41333%0.332SS..Hα-helixtrans-67.9-41.9177.300000111P409 P410 H416 H417P409-A413 HydrophobicContact CB-CB 4.25Å; P410-A413 WeakPolarHBondContact O-CB 3.48Å; P410-A413 PolarHBondContact O-N 3.18Å; P410-A413 VanDerWaalsContact O-N 3.09Å; A413-H416 PolarHBondContact O-N 2.8Å; A413-H417 PolarHBondContact O-N 2.95Å
414L97.3Very high94.9Very high2 Ų258.7 Ų58.71%0.0134%0.338CS..Hα-helixtrans-60.8-48.2173.2-174.856.9000110.9Y339 K343 A346 L390 P409 P410 P411 H416 H417 L418Y339-L414 HydrophobicContact CE2-CD2 3.87Å; K343-L414 HydrophobicContact CB-CD2 3.91Å; K343-L414 HydrophobicContact CG-CD2 4.18Å; A346-L414 HydrophobicContact CB-CD1 4.21Å; L390-L414 HydrophobicContact CD2-CB 4.14Å; L390-L414 HydrophobicContact CD2-CD2 3.7Å; L390-L414 HydrophobicContact CD2-CG 3.85Å; P409-L414 HydrophobicContact CG-CB 3.99Å; P409-L414 HydrophobicContact CG-CD1 4.25Å; P410-L414 PolarHBondContact O-N 3.23Å; P411-L414 PolarHBondContact O-N 3.18Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.09Å; L414-H417 PolarHBondContact O-N 3.05Å; L414-H417 VanDerWaalsContact O-N 3.15Å; L414-L418 HydrophobicContact CD1-CD2 4.5Å; L414-L418 HydrophobicContact CD1-CG 4.26Å; L414-L418 HydrophobicContact CG-CD1 4.13Å; L414-L418 HydrophobicContact CG-CG 4.33Å; L414-L418 VanDerWaalsContact O-CG 3.27Å; L414-L418 WeakPolarHBondContact O-CG 2.89Å; L414-L418 PolarHBondContact O-N 2.85Å
415L96.9Very high94.8Very high20 Ų2057.9 Ų57.911%0.10534%0.337CS..Hα-helixtrans-56.6-41.9177.5-81170.2000112.9V387 L390 P411 E412 K419V387-L415 HydrophobicContact CG1-CD2 4.3Å; L390-L415 HydrophobicContact CB-CD2 3.89Å; L390-L415 HydrophobicContact CB-CG 4.48Å; L390-L415 HydrophobicContact CD2-CD2 3.74Å; L390-L415 HydrophobicContact CD2-CG 3.65Å; L390-L415 HydrophobicContact CG-CD1 4.29Å; L390-L415 HydrophobicContact CG-CD2 3.74Å; L390-L415 HydrophobicContact CG-CG 3.76Å; P411-L415 WeakPolarHBondContact O-CB 3.23Å; P411-L415 WeakPolarHBondContact O-CG 2.92Å; P411-L415 PolarHBondContact O-N 3.1Å; E412-L415 PolarHBondContact O-N 3.02Å; L415-K419 WeakPolarHBondContact O-CG 3.31Å; L415-K419 PolarHBondContact O-N 2.84Å
416H96.8Very high94.5Very high142 Ų14256 Ų5666%0.65732%0.322SS*.Hα-helixtrans-63.2-47.4176.3-179.2-84.8000111.3E412 A413 L414 L418 K419 A420E412-H416 PolarHBondContact O-N 3.07Å; A413-H416 PolarHBondContact O-N 2.8Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.09Å; H416-L418 PolarHBondContact O-N 3.23Å; H416-K419 PolarHBondContact O-N 2.93Å; H416-A420 PolarHBondContact O-N 2.83Å; H416-A420 VanDerWaalsContact O-N 3.1Å
417H96.3Very high94.1Very high84 Ų8462.3 Ų62.339%0.38935%0.349SS..Hα-helixtrans-60.3-44.5178.6-171-170.2000111.9A413 L414 K419 A420 A421A413-H417 PolarHBondContact O-N 2.95Å; L414-H417 PolarHBondContact O-N 3.05Å; L414-H417 VanDerWaalsContact O-N 3.15Å; H417-K419 PolarHBondContact O-N 2.8Å; H417-A420 PolarHBondContact O-N 3.14Å; H417-A421 PolarHBondContact O-N 3.23Å
418L96.1Very high94Very high0 Ų065 Ų650%036%0.364CS..Hα-helixtrans-59.8-44178.3-68.1175.7000112.7A346 I350 L383 T386 V387 L390 L414 H416 A421 I422A346-L418 HydrophobicContact CB-CD1 4.25Å; A346-L418 HydrophobicContact CB-CD2 3.36Å; A346-L418 HydrophobicContact CB-CG 4.29Å; I350-L418 HydrophobicContact CD1-CD2 3.66Å; I350-L418 HydrophobicContact CG1-CD2 4.29Å; L383-L418 HydrophobicContact CD2-CD2 3.48Å; L383-L418 VanDerWaalsContact CD2-CD2 3.48Å; T386-L418 HydrophobicContact CG2-CD1 3.9Å; V387-L418 HydrophobicContact CG2-CB 3.55Å; V387-L418 HydrophobicContact CG2-CD1 3.97Å; V387-L418 HydrophobicContact CG2-CG 4.4Å; L390-L418 HydrophobicContact CD2-CD1 4.08Å; L414-L418 HydrophobicContact CD1-CD2 4.5Å; L414-L418 HydrophobicContact CD1-CG 4.26Å; L414-L418 HydrophobicContact CG-CD1 4.13Å; L414-L418 HydrophobicContact CG-CG 4.33Å; L414-L418 VanDerWaalsContact O-CG 3.27Å; L414-L418 WeakPolarHBondContact O-CG 2.89Å; L414-L418 PolarHBondContact O-N 2.85Å; H416-L418 PolarHBondContact O-N 3.23Å; L418-A421 PolarHBondContact O-N 3.42Å; L418-I422 WeakPolarHBondContact O-CD1 3.07Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.25Å; L418-I422 PolarHBondContact O-N 2.97Å
419K95.4Very high94Very high105 Ų10563.8 Ų63.846%0.45735%0.351SS..Hα-helixtrans-64-45.4178.5-72172.6-178.2176.20111.3V387 L415 H416 H417 A421 I422 D423V387-K419 HydrophobicContact CG1-CG 4.44Å; V387-K419 HydrophobicContact CG2-CG 4.47Å; L415-K419 WeakPolarHBondContact O-CG 3.31Å; L415-K419 PolarHBondContact O-N 2.84Å; H416-K419 PolarHBondContact O-N 2.93Å; H417-K419 PolarHBondContact O-N 2.8Å; K419-A421 VanDerWaalsContact C-N 3.33Å; K419-A421 PolarHBondContact O-N 3.03Å; K419-I422 PolarHBondContact O-N 3.37Å; K419-D423 VanDerWaalsContact O-CG 3.29Å; K419-D423 PolarHBondContact O-N 3.2Å
420A94.9Very high93.9Very high41 Ų4165.5 Ų65.534%0.33936%0.359SS..Hα-helixtrans-60.7-40.8177.300000112.5H416 H417 D423 T424H416-A420 PolarHBondContact O-N 2.83Å; H416-A420 VanDerWaalsContact O-N 3.1Å; H417-A420 PolarHBondContact O-N 3.14Å; A420-D423 PolarHBondContact O-N 3.24Å; A420-T424 WeakPolarHBondContact O-CB 3.34Å; A420-T424 PolarHBondContact O-N 3.28Å; A420-T424 PolarHBondContact O-OG1 3.42Å
421A94.6Very high93.7Very high12 Ų1265.5 Ų65.510%0.09936%0.355CS..Hα-helixtrans-66-41.2176.600000112.5I350 L383 H417 L418 K419 A425I350-A421 HydrophobicContact CD1-CB 4.32Å; I350-A421 HydrophobicContact CG1-CB 3.81Å; L383-A421 HydrophobicContact CD1-CB 4.28Å; H417-A421 PolarHBondContact O-N 3.23Å; L418-A421 PolarHBondContact O-N 3.42Å; K419-A421 VanDerWaalsContact C-N 3.33Å; K419-A421 PolarHBondContact O-N 3.03Å; A421-A425 WeakPolarHBondContact O-CB 3.49Å; A421-A425 PolarHBondContact O-N 3.07Å
422I94.4Very high93.5Very high14 Ų1469.5 Ų69.57%0.07238%0.376CS..Hα-helixtrans-62.6-47175-68.8162.6000110.8V380 L383 K384 V387 L418 K419 T424 A425 L426V380-I422 HydrophobicContact CG1-CG2 4.3Å; L383-I422 HydrophobicContact CB-CD1 3.8Å; L383-I422 HydrophobicContact CB-CG1 3.65Å; L383-I422 HydrophobicContact CD1-CG1 4.11Å; K384-I422 HydrophobicContact CG-CD1 4.03Å; K384-I422 HydrophobicContact CG-CG2 4.33Å; V387-I422 HydrophobicContact CG2-CD1 3.93Å; L418-I422 WeakPolarHBondContact O-CD1 3.07Å; L418-I422 VanDerWaalsContact O-CG1 3.26Å; L418-I422 WeakPolarHBondContact O-CG1 3.25Å; L418-I422 PolarHBondContact O-N 2.97Å; K419-I422 PolarHBondContact O-N 3.37Å; I422-T424 VanDerWaalsContact C-N 3.34Å; I422-T424 PolarHBondContact O-N 2.84Å; I422-A425 PolarHBondContact O-N 3.31Å; I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 WeakPolarHBondContact O-CG 3.28Å; I422-L426 PolarHBondContact O-N 2.88Å
423D92.6Very high93.4Very high105 Ų10566.1 Ų66.156%0.56136%0.364SS*.Hα-helixtrans-62.4-44.7-178.9-69.6-20.5000110.4K419 A420 A425 L426 L427K419-D423 VanDerWaalsContact O-CG 3.29Å; K419-D423 PolarHBondContact O-N 3.2Å; A420-D423 PolarHBondContact O-N 3.24Å; D423-A425 VanDerWaalsContact C-N 3.34Å; D423-A425 PolarHBondContact O-N 3.13Å; D423-L426 PolarHBondContact O-N 2.95Å; D423-L427 WeakPolarHBondContact O-CG 3.45Å; D423-L427 PolarHBondContact O-N 3.1Å
424T90.9Very high93.1Very high98 Ų9867.3 Ų67.360%0.60136%0.36SS*.Hα-helixtrans-61-41.1177.1-56.40000112.3A420 I422 L426A420-T424 WeakPolarHBondContact O-CB 3.34Å; A420-T424 PolarHBondContact O-N 3.28Å; A420-T424 PolarHBondContact O-OG1 3.42Å; I422-T424 VanDerWaalsContact C-N 3.34Å; I422-T424 PolarHBondContact O-N 2.84Å; T424-L426 PolarHBondContact O-N 2.82Å
425A89.2Confident92.8Very high28 Ų2872.3 Ų72.323%0.23139%0.387CS..Hα-helixtrans-73.8-12.6-179.600000114.4L353 V380 A421 I422 D423L353-A425 HydrophobicContact CD1-CB 3.97Å; L353-A425 HydrophobicContact CD2-CB 3.98Å; L353-A425 HydrophobicContact CG-CB 4.45Å; V380-A425 HydrophobicContact CG2-CB 3.71Å; A421-A425 WeakPolarHBondContact O-CB 3.49Å; A421-A425 PolarHBondContact O-N 3.07Å; I422-A425 PolarHBondContact O-N 3.31Å; D423-A425 VanDerWaalsContact C-N 3.34Å; D423-A425 PolarHBondContact O-N 3.13Å
426L86.6Confident92.5Very high85 Ų8576.7 Ų76.745%0.44541%0.411SS..Hα-helixtrans-106-5.6180-69.8176.1000113.8F6 V380 I422 D423 T424F6-L426 HydrophobicContact CZ-CD2 4.48Å; V380-L426 HydrophobicContact CG1-CD1 4.24Å; V380-L426 HydrophobicContact CG1-CD2 4.14Å; V380-L426 HydrophobicContact CG1-CG 4.21Å; I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 WeakPolarHBondContact O-CG 3.28Å; I422-L426 PolarHBondContact O-N 2.88Å; D423-L426 PolarHBondContact O-N 2.95Å; T424-L426 PolarHBondContact O-N 2.82Å
427L82Confident92.1Very high206 Ų20670.7 Ų70.7100%1.07939%0.388SS*.  trans-720165.4-70.3172.3000110.4D423D423-L427 WeakPolarHBondContact O-CG 3.45Å; D423-L427 PolarHBondContact O-N 3.1Å

Retrieved 427 of 427 residues in 944.9 ms (Link to these results)

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