A0A077ZJ64_TRITR Loading...

Glycosyltransferase protein LARGE2 like

AlphaFold DB , UniProt , Accession A0A077ZJ64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 639 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
1M52.4Low84.1Confident40 Ų4026.8 Ų26.820%0.19714%0.144CC..  0-42.80-104.4169.7172.800113.3S3 L5 C316 T317 F371M1-S3 PolarHBondContact O-N 3.36Å; M1-L5 HydrophobicContact CB-CD1 4.32Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-C316 HydrophobicContact CE-CB 3.89Å; M1-C316 VanDerWaalsContact CE-SG 3.6Å; M1-C316 WeakPolarHBondContact CG-O 3.42Å; M1-T317 HydrophobicContact CE-CG2 3.25Å; M1-T317 HydrophobicContact CG-CG2 4.28Å; M1-T317 HydrophobicContact SD-CG2 3.92Å; M1-F371 HydrophobicContact CE-CB 3.9Å; M1-F371 HydrophobicContact CE-CD1 3.94Å; M1-F371 HydrophobicContact CE-CD2 3.17Å; M1-F371 HydrophobicContact CE-CE1 4.19Å; M1-F371 HydrophobicContact CE-CE2 3.46Å; M1-F371 VanDerWaalsContact CE-CE2 3.46Å; M1-F371 HydrophobicContact CE-CG 3.42Å; M1-F371 VanDerWaalsContact CE-CG 3.42Å; M1-F371 HydrophobicContact CE-CZ 3.96Å; M1-F371 HydrophobicContact SD-CB 3.17Å; M1-F371 WeakPolarHBondContact SD-CB 3.49Å; M1-F371 HydrophobicContact SD-CD1 4.37Å; M1-F371 HydrophobicContact SD-CD2 3.3Å; M1-F371 WeakPolarHBondContact SD-CD2 2.98Å; M1-F371 HydrophobicContact SD-CE2 4.19Å; M1-F371 HydrophobicContact SD-CG 3.4Å; M1-F371 WeakPolarHBondContact SD-CG 3.41Å
2N68.4Low85.1Confident44 Ų4424.9 Ų24.924%0.23513%0.133CC..Hα-helixtrans-63.6-45.7-151-152.3-41.2000116.9R4 L5 R6 E368N2-R4 PolarHBondContact O-N 3.12Å; N2-L5 PolarHBondContact O-N 3.33Å; N2-R6 PolarHBondContact ND2-NH2 2.72Å; N2-R6 WeakPolarHBondContact O-CB 3.46Å; N2-R6 WeakPolarHBondContact O-CG 3.4Å; N2-R6 PolarHBondContact O-N 3.48Å; N2-R6 WeakPolarHBondContact OD1-CD 3.37Å; N2-R6 VanDerWaalsContact OD1-CG 3.29Å; N2-R6 WeakPolarHBondContact OD1-CG 3.33Å; N2-R6 PolarHBondContact OD1-NE 3.42Å; N2-R6 PolarHBondContact OD1-NH1 2.91Å; N2-R6 PolarHBondContact OD1-NH2 3.3Å; N2-R6 VanDerWaalsContact OD1-NH2 3.17Å; N2-E368 VanDerWaalsContact CG-OE1 3.23Å; N2-E368 PolarHBondContact ND2-OE1 3.22Å; N2-E368 PolarHBondContact OD1-OE1 3.33Å
3S77.5Confident86Confident75 Ų7523 Ų2352%0.52412%0.123SC..Hα-helixtrans-66.6-34.5-173.458.80000114.8M1 L7M1-S3 PolarHBondContact O-N 3.36Å; S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 3.38Å
4R83.2Confident86.7Confident39 Ų3921.9 Ų21.915%0.14712%0.117CC..Hα-helixtrans-70.4-42.6178.7-65.1-176.4-179.4151.6-0.8111.5N2 L7 V8 S33 F37 F315N2-R4 PolarHBondContact O-N 3.12Å; R4-L7 PolarHBondContact O-N 3.46Å; R4-V8 WeakPolarHBondContact O-CG2 3.37Å; R4-V8 PolarHBondContact O-N 3.05Å; R4-S33 PolarHBondContact NH2-OG 2.95Å; R4-F37 HydrophobicContact CG-CE1 4.33Å; R4-F37 HydrophobicContact CG-CZ 3.88Å; R4-F315 PolarHBondContact NH1-O 2.98Å
5L84.9Confident87.2Confident13 Ų1321 Ų217%0.06811%0.112CC..Hα-helixtrans-66.8-40.2177.1-66.3179.7000111.8M1 N2 V8 T9 L364 E368M1-L5 HydrophobicContact CB-CD1 4.32Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; N2-L5 PolarHBondContact O-N 3.33Å; L5-V8 WeakPolarHBondContact O-CB 3.19Å; L5-V8 PolarHBondContact O-N 3.47Å; L5-T9 PolarHBondContact O-N 3.42Å; L5-T9 PolarHBondContact O-OG1 2.93Å; L5-T9 VanDerWaalsContact O-OG1 3.11Å; L5-L364 HydrophobicContact CD2-CD2 3.67Å; L5-L364 HydrophobicContact CD2-CG 4.23Å; L5-E368 HydrophobicContact CD1-CG 4.31Å
6R88.5Confident87.5Confident33 Ų3324.2 Ų24.213%0.12513%0.129CC..Hα-helixtrans-59.7-45.8171.1-76.2-178.2178.4144.413.6112.1N2 V8 T9 L10 S100 K243 Q244N2-R6 PolarHBondContact ND2-NH2 2.72Å; N2-R6 WeakPolarHBondContact O-CB 3.46Å; N2-R6 WeakPolarHBondContact O-CG 3.4Å; N2-R6 PolarHBondContact O-N 3.48Å; N2-R6 WeakPolarHBondContact OD1-CD 3.37Å; N2-R6 VanDerWaalsContact OD1-CG 3.29Å; N2-R6 WeakPolarHBondContact OD1-CG 3.33Å; N2-R6 PolarHBondContact OD1-NE 3.42Å; N2-R6 PolarHBondContact OD1-NH1 2.91Å; N2-R6 PolarHBondContact OD1-NH2 3.3Å; N2-R6 VanDerWaalsContact OD1-NH2 3.17Å; R6-V8 VanDerWaalsContact C-N 3.3Å; R6-V8 PolarHBondContact O-N 2.88Å; R6-T9 WeakPolarHBondContact O-CB 3.44Å; R6-T9 PolarHBondContact O-N 3.46Å; R6-T9 VanDerWaalsContact O-N 3.09Å; R6-L10 PolarHBondContact O-N 3.13Å; R6-S100 CarbonylContact C-O 3.55Å; R6-S100 WeakPolarHBondContact CB-O 3.35Å; R6-K243 VanDerWaalsContact NH2-CB 3.27Å; R6-K243 VanDerWaalsContact NH2-CG 3.34Å; R6-Q244 VanDerWaalsContact NH2-OE1 3.17Å
7L91.9Very high87.8Confident26 Ų2625.9 Ų25.914%0.13614%0.136CC..Hα-helixtrans-59.7-40.2175.2178.860.5000112.1S3 R4 L10 I11 V26 F37S3-L7 WeakPolarHBondContact O-CB 3.26Å; S3-L7 PolarHBondContact O-N 3.38Å; R4-L7 PolarHBondContact O-N 3.46Å; L7-L10 HydrophobicContact CD1-CD2 4.28Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-I11 HydrophobicContact CD1-CD1 4.12Å; L7-I11 HydrophobicContact CD1-CG1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.31Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.27Å; L7-V26 HydrophobicContact CD2-CG1 4.02Å; L7-V26 HydrophobicContact CD2-CG2 4.4Å; L7-F37 HydrophobicContact CD2-CD1 4.47Å; L7-F37 HydrophobicContact CD2-CE1 3.61Å; L7-F37 HydrophobicContact CD2-CZ 3.75Å
8V93Very high88.1Confident11 Ų1125.2 Ų25.27%0.06713%0.133CC..Hα-helixtrans-61.7-43.9174.1169.60000111.1R4 L5 R6 I11 K12 L40 W44R4-V8 WeakPolarHBondContact O-CG2 3.37Å; R4-V8 PolarHBondContact O-N 3.05Å; L5-V8 WeakPolarHBondContact O-CB 3.19Å; L5-V8 PolarHBondContact O-N 3.47Å; R6-V8 VanDerWaalsContact C-N 3.3Å; R6-V8 PolarHBondContact O-N 2.88Å; V8-I11 PolarHBondContact O-N 3.26Å; V8-K12 HydrophobicContact CG1-CD 4.43Å; V8-K12 WeakPolarHBondContact O-CG 3.29Å; V8-K12 PolarHBondContact O-N 3.43Å; V8-L40 HydrophobicContact CG2-CD2 3.79Å; V8-W44 HydrophobicContact CG1-CH2 4.02Å; V8-W44 HydrophobicContact CG1-CZ3 4.23Å
9T94.3Very high88.2Confident7 Ų726.5 Ų26.54%0.04314%0.144CC..Hα-helixtrans-62-44.9176.2-58.30000111.6L5 R6 I11 K12 S13 L103 Y258 S262L5-T9 PolarHBondContact O-N 3.42Å; L5-T9 PolarHBondContact O-OG1 2.93Å; L5-T9 VanDerWaalsContact O-OG1 3.11Å; R6-T9 WeakPolarHBondContact O-CB 3.44Å; R6-T9 PolarHBondContact O-N 3.46Å; R6-T9 VanDerWaalsContact O-N 3.09Å; T9-I11 PolarHBondContact O-N 3.3Å; T9-K12 WeakPolarHBondContact O-CB 3.33Å; T9-K12 PolarHBondContact O-N 2.72Å; T9-S13 PolarHBondContact O-N 3.4Å; T9-L103 HydrophobicContact CG2-CD1 4.19Å; T9-Y258 HydrophobicContact CG2-CD2 4.14Å; T9-Y258 HydrophobicContact CG2-CE2 3.81Å; T9-S262 VanDerWaalsContact CG2-OG 3.31Å; T9-S262 WeakPolarHBondContact CG2-OG 3.47Å; T9-S262 PolarHBondContact OG1-OG 3.35Å
10L96Very high88.4Confident7 Ų731 Ų314%0.03716%0.163CC..Hα-helixtrans-56.7-50.2173.5170.357.9000111.1R6 L7 K12 S13 I14 L98 D99 V102 V104R6-L10 PolarHBondContact O-N 3.13Å; L7-L10 HydrophobicContact CD1-CD2 4.28Å; L7-L10 PolarHBondContact O-N 3.22Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.46Å; L10-S13 PolarHBondContact O-N 2.84Å; L10-S13 VanDerWaalsContact O-N 3.14Å; L10-S13 PolarHBondContact O-OG 3.25Å; L10-I14 HydrophobicContact CD1-CD1 3.68Å; L10-I14 HydrophobicContact CD1-CG1 4.07Å; L10-I14 HydrophobicContact CG-CD1 3.93Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.08Å; L10-L98 HydrophobicContact CD1-CD1 4.35Å; L10-L98 HydrophobicContact CD2-CB 4.22Å; L10-D99 WeakPolarHBondContact CD2-O 3.45Å; L10-V102 HydrophobicContact CD1-CG2 3.53Å; L10-V102 HydrophobicContact CD2-CG2 4.18Å; L10-V102 HydrophobicContact CG-CG2 4.48Å; L10-V104 HydrophobicContact CD1-CG2 3.95Å
11I95.4Very high88.5Confident0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-58.8-45178.6-71167.8000110.7L7 V8 T9 S13 I14 L15 F24 F41 W44 F51L7-I11 HydrophobicContact CD1-CD1 4.12Å; L7-I11 HydrophobicContact CD1-CG1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.31Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.27Å; V8-I11 PolarHBondContact O-N 3.26Å; T9-I11 PolarHBondContact O-N 3.3Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 3.4Å; I11-I14 PolarHBondContact O-N 2.77Å; I11-L15 HydrophobicContact CG2-CD1 3.62Å; I11-L15 HydrophobicContact CG2-CG 4.14Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.25Å; I11-L15 PolarHBondContact O-N 3.41Å; I11-F24 HydrophobicContact CB-CZ 4.46Å; I11-F24 HydrophobicContact CG1-CD1 4.33Å; I11-F24 HydrophobicContact CG1-CE1 3.98Å; I11-F24 HydrophobicContact CG1-CZ 4.12Å; I11-F24 HydrophobicContact CG2-CE2 4.24Å; I11-F24 HydrophobicContact CG2-CZ 4.15Å; I11-F41 HydrophobicContact CD1-CE1 3.64Å; I11-F41 HydrophobicContact CD1-CZ 3.72Å; I11-W44 HydrophobicContact CG2-CH2 4.07Å; I11-W44 HydrophobicContact CG2-CZ3 4.18Å; I11-F51 HydrophobicContact CD1-CE1 4.24Å
12K95.5Very high90.5Very high4 Ų433.6 Ų33.62%0.01719%0.187CC..Hα-helixtrans-57.8-46.1175.5-72.5176.7-177-174.90111.6V8 T9 L10 I14 L15 L16 W44 Y261 S262 L264 L269 D361V8-K12 HydrophobicContact CG1-CD 4.43Å; V8-K12 WeakPolarHBondContact O-CG 3.29Å; V8-K12 PolarHBondContact O-N 3.43Å; T9-K12 WeakPolarHBondContact O-CB 3.33Å; T9-K12 PolarHBondContact O-N 2.72Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.46Å; K12-I14 VanDerWaalsContact C-N 3.34Å; K12-I14 PolarHBondContact O-N 2.94Å; K12-L15 PolarHBondContact O-N 3.03Å; K12-L16 WeakPolarHBondContact O-CB 3.48Å; K12-L16 PolarHBondContact O-N 3.23Å; K12-W44 HydrophobicContact CG-CH2 4.04Å; K12-W44 HydrophobicContact CG-CZ2 4.18Å; K12-Y261 WeakPolarHBondContact CD-O 3.5Å; K12-S262 PolarHBondContact NZ-O 3.48Å; K12-L264 HydrophobicContact CB-CD2 4.41Å; K12-L264 HydrophobicContact CD-CB 4.45Å; K12-L264 WeakPolarHBondContact CE-O 3.16Å; K12-L264 PolarHBondContact NZ-O 3.35Å; K12-L269 HydrophobicContact CB-CD1 4.19Å; K12-L269 HydrophobicContact CG-CD1 3.95Å; K12-D361 VanDerWaalsContact CE-OD1 3.27Å; K12-D361 WeakPolarHBondContact CE-OD1 3.21Å; K12-D361 VanDerWaalsContact NZ-CG 3.29Å; K12-D361 IonicContact NZ-OD1 2.57Å; K12-D361 PolarHBondContact NZ-OD1 2.83Å
13S96.7Very high91.8Very high0 Ų034.9 Ų34.90%019%0.191CC..Hα-helixtrans-61.2-42.4179.678.10000112T9 L10 I11 H17 V104T9-S13 PolarHBondContact O-N 3.4Å; L10-S13 PolarHBondContact O-N 2.84Å; L10-S13 VanDerWaalsContact O-N 3.14Å; L10-S13 PolarHBondContact O-OG 3.25Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 3.4Å; S13-H17 PolarHBondContact O-CD2 3.15Å; S13-V104 WeakPolarHBondContact CB-O 3.39Å; S13-V104 PolarHBondContact OG-N 3.02Å; S13-V104 VanDerWaalsContact OG-N 3.08Å
14I96.3Very high92.7Very high7 Ų732.5 Ų32.54%0.03617%0.172CC..Hα-helixtrans-63.7-49.6175.3-67.4167.5000111L10 I11 K12 L16 H17 T18 V22 F24 L98 V104 L108L10-I14 HydrophobicContact CD1-CD1 3.68Å; L10-I14 HydrophobicContact CD1-CG1 4.07Å; L10-I14 HydrophobicContact CG-CD1 3.93Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.08Å; I11-I14 PolarHBondContact O-N 2.77Å; K12-I14 VanDerWaalsContact C-N 3.34Å; K12-I14 PolarHBondContact O-N 2.94Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 2.89Å; I14-H17 PolarHBondContact O-N 3Å; I14-H17 VanDerWaalsContact O-N 3.12Å; I14-T18 WeakPolarHBondContact O-CB 3.19Å; I14-T18 PolarHBondContact O-N 2.94Å; I14-V22 HydrophobicContact CG2-CG2 4.5Å; I14-F24 HydrophobicContact CB-CZ 4.3Å; I14-F24 HydrophobicContact CD1-CE1 3.75Å; I14-F24 HydrophobicContact CD1-CZ 4.24Å; I14-F24 HydrophobicContact CG2-CE1 4.42Å; I14-F24 HydrophobicContact CG2-CZ 3.95Å; I14-L98 HydrophobicContact CD1-CD1 3.75Å; I14-V104 HydrophobicContact CD1-CG2 4.39Å; I14-V104 HydrophobicContact CG1-CB 3.99Å; I14-V104 HydrophobicContact CG1-CG1 4.36Å; I14-V104 HydrophobicContact CG1-CG2 3.69Å; I14-L108 HydrophobicContact CD1-CD1 4.23Å; I14-L108 HydrophobicContact CG1-CD1 3.94Å; I14-L108 HydrophobicContact CG2-CD1 4.13Å
15L93.6Very high93.4Very high9 Ų933.2 Ų33.25%0.04718%0.176CC..Hα-helixtrans-68.5-29.2-175.6-66.5178.3000112.6I11 K12 H17 T18 F24 L46 V49 L269 K272I11-L15 HydrophobicContact CG2-CD1 3.62Å; I11-L15 HydrophobicContact CG2-CG 4.14Å; I11-L15 WeakPolarHBondContact O-CB 3.3Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.25Å; I11-L15 PolarHBondContact O-N 3.41Å; K12-L15 PolarHBondContact O-N 3.03Å; L15-H17 PolarHBondContact O-N 2.98Å; L15-T18 HydrophobicContact CD2-CG2 4.34Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CZ 4.48Å; L15-L46 HydrophobicContact CD1-CD1 3.58Å; L15-L46 HydrophobicContact CD1-CD2 4.27Å; L15-V49 HydrophobicContact CD1-CG2 4.21Å; L15-V49 HydrophobicContact CD2-CG2 3.46Å; L15-V49 VanDerWaalsContact CD2-CG2 3.46Å; L15-V49 HydrophobicContact CG-CG2 4.49Å; L15-L269 HydrophobicContact CB-CD1 4.05Å; L15-L269 HydrophobicContact CB-CD2 4.11Å; L15-L269 HydrophobicContact CD1-CD1 4.22Å; L15-K272 VanDerWaalsContact O-CD 3.29Å; L15-K272 WeakPolarHBondContact O-CD 3.3Å; L15-K272 PolarHBondContact O-NZ 2.97Å
16L92.3Very high93.8Very high72 Ų7233.3 Ų33.338%0.37718%0.177SC..Hα-helixtrans-65-29.2174.2-167.568.6000112K12 I14 Y261 L264 K272K12-L16 WeakPolarHBondContact O-CB 3.48Å; K12-L16 PolarHBondContact O-N 3.23Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 2.89Å; L16-Y261 HydrophobicContact CB-CE1 4.26Å; L16-Y261 HydrophobicContact CD2-CD1 4.22Å; L16-Y261 HydrophobicContact CD2-CE1 3.46Å; L16-Y261 VanDerWaalsContact CD2-CE1 3.46Å; L16-Y261 HydrophobicContact CG-CE1 4.48Å; L16-L264 HydrophobicContact CD1-CD2 4.27Å; L16-K272 PolarHBondContact O-NZ 3.13Å
17H93.3Very high94Very high54 Ų5433.1 Ų33.125%0.2518%0.18CC..Hα-helixtrans-109.2-25.2-174.9-65.5-64.5000115.9S13 I14 L15 V104 L105 T106 D107 Y261S13-H17 PolarHBondContact O-CD2 3.15Å; I14-H17 PolarHBondContact O-N 3Å; I14-H17 VanDerWaalsContact O-N 3.12Å; L15-H17 PolarHBondContact O-N 2.98Å; H17-V104 PolarHBondContact CD2-O 3.47Å; H17-V104 PolarHBondContact NE2-O 3.25Å; H17-L105 PolarHBondContact CE1-O 3.38Å; H17-L105 VanDerWaalsContact NE2-C 3.32Å; H17-L105 WeakPolarHBondContact NE2-CA 3.21Å; H17-T106 VanDerWaalsContact CB-O 3.26Å; H17-T106 WeakPolarHBondContact CB-O 3.37Å; H17-D107 WeakPolarHBondContact O-CB 3.41Å; H17-Y261 AromaticContact NE2-CZ 3.78Å; H17-Y261 PolarHBondContact NE2-OH 3.32Å
18T92.3Very high94Very high13 Ų1332.4 Ų32.48%0.0818%0.177CC..  trans-53.6147-177.6-170.20000111I14 L15 H20 V22 K272 F274I14-T18 WeakPolarHBondContact O-CB 3.19Å; I14-T18 PolarHBondContact O-N 2.94Å; L15-T18 HydrophobicContact CD2-CG2 4.34Å; T18-H20 PolarHBondContact OG1-N 2.77Å; T18-H20 PolarHBondContact OG1-O 3.31Å; T18-V22 HydrophobicContact CG2-CG2 4.25Å; T18-K272 PolarHBondContact O-NZ 3.47Å; T18-K272 VanDerWaalsContact O-NZ 3.08Å; T18-F274 HydrophobicContact CG2-CE2 3.99Å; T18-F274 HydrophobicContact CG2-CZ 4.09Å; T18-F274 WeakPolarHBondContact O-CE1 3.34Å; T18-F274 WeakPolarHBondContact O-CZ 3.47Å
19S91Very high93.7Very high49 Ų4935.6 Ų35.634%0.34319%0.193SC..SBendtrans-109.5-416658.70000113.2D107S19-D107 WeakPolarHBondContact CB-OD2 3.3Å; S19-D107 PolarHBondContact N-OD2 2.71Å; S19-D107 PolarHBondContact OG-OD2 2.85Å
20H90.7Very high93.3Very high116 Ų11636.9 Ų36.954%0.53720%0.203SC..SBendtrans-122.4162-175.3-67.373.3000111.2T18T18-H20 PolarHBondContact OG1-N 2.77Å; T18-H20 PolarHBondContact OG1-O 3.31Å
21S91.4Very high92.9Very high95 Ų9542.7 Ų42.766%0.66422%0.224SC*.  trans-63.7143.5167.257.20000110.2Q48S21-Q48 VanDerWaalsContact CA-O 3.31Å; S21-Q48 WeakPolarHBondContact CA-O 3.17Å; S21-Q48 WeakPolarHBondContact CB-O 3.44Å
22V93.8Very high92.5Very high32 Ų3245 Ų4519%0.19424%0.235CC..EExtended strand (participates in β ladder)trans-121.7133.2-175.2-174.50000109.4I14 T18 F24 Q48 V49 K50I14-V22 HydrophobicContact CG2-CG2 4.5Å; T18-V22 HydrophobicContact CG2-CG2 4.25Å; V22-F24 HydrophobicContact CB-CE2 4.05Å; V22-F24 HydrophobicContact CB-CZ 4.42Å; V22-F24 HydrophobicContact CG1-CD1 4.34Å; V22-F24 HydrophobicContact CG1-CD2 3.92Å; V22-F24 HydrophobicContact CG1-CE1 4.05Å; V22-F24 HydrophobicContact CG1-CE2 3.6Å; V22-F24 HydrophobicContact CG1-CG 4.28Å; V22-F24 HydrophobicContact CG1-CZ 3.67Å; V22-Q48 PolarHBondContact N-O 3.31Å; V22-Q48 VanDerWaalsContact N-O 3.09Å; V22-V49 VanDerWaalsContact O-CA 3.3Å; V22-V49 WeakPolarHBondContact O-CA 3.42Å; V22-K50 PolarHBondContact O-N 3.09Å
23H96.4Very high92.2Very high70 Ų7045.1 Ų45.132%0.32424%0.236SC..EExtended strand (participates in β ladder)trans-108.8105.4168.7-169.5173.4000108.8H25 K50 S52H23-H25 AromaticContact CD2-CE1 3.88Å; H23-H25 AromaticContact CD2-NE2 3.62Å; H23-H25 AromaticContact CE1-CE1 3.3Å; H23-H25 PolarHBondContact CE1-CE1 3.24Å; H23-H25 AromaticContact CE1-NE2 3.5Å; H23-H25 PolarHBondContact CE1-NE2 2.81Å; H23-H25 AromaticContact CG-NE2 3.55Å; H23-H25 AromaticContact ND1-CE1 3.82Å; H23-H25 AromaticContact ND1-NE2 3.54Å; H23-H25 AromaticContact NE2-CE1 3.37Å; H23-H25 PolarHBondContact NE2-CE1 2.92Å; H23-H25 AromaticContact NE2-ND1 3.97Å; H23-H25 AromaticContact NE2-NE2 3.59Å; H23-H25 PolarHBondContact O-CD2 3.18Å; H23-K50 CarbonylContact C-O 3.5Å; H23-K50 WeakPolarHBondContact CA-O 3.4Å; H23-K50 HydrophobicContact CB-CB 4.22Å; H23-K50 PolarHBondContact CD2-O 3.1Å; H23-K50 VanDerWaalsContact CE1-CE 3.45Å; H23-K50 WeakPolarHBondContact CE1-CE 3.41Å; H23-S52 PolarHBondContact NE2-OG 3.06Å
24F97Very high91.9Very high26 Ų2645.7 Ų45.711%0.11424%0.239CC..EExtended strand (participates in β ladder)trans-81127.6174.2-67.7-81.4000110.9I11 I14 L15 V22 V49 K50 F51 S52I11-F24 HydrophobicContact CB-CZ 4.46Å; I11-F24 HydrophobicContact CG1-CD1 4.33Å; I11-F24 HydrophobicContact CG1-CE1 3.98Å; I11-F24 HydrophobicContact CG1-CZ 4.12Å; I11-F24 HydrophobicContact CG2-CE2 4.24Å; I11-F24 HydrophobicContact CG2-CZ 4.15Å; I14-F24 HydrophobicContact CB-CZ 4.3Å; I14-F24 HydrophobicContact CD1-CE1 3.75Å; I14-F24 HydrophobicContact CD1-CZ 4.24Å; I14-F24 HydrophobicContact CG2-CE1 4.42Å; I14-F24 HydrophobicContact CG2-CZ 3.95Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CZ 4.48Å; V22-F24 HydrophobicContact CB-CE2 4.05Å; V22-F24 HydrophobicContact CB-CZ 4.42Å; V22-F24 HydrophobicContact CG1-CD1 4.34Å; V22-F24 HydrophobicContact CG1-CD2 3.92Å; V22-F24 HydrophobicContact CG1-CE1 4.05Å; V22-F24 HydrophobicContact CG1-CE2 3.6Å; V22-F24 HydrophobicContact CG1-CG 4.28Å; V22-F24 HydrophobicContact CG1-CZ 3.67Å; F24-V49 HydrophobicContact CD2-CG1 3.33Å; F24-V49 HydrophobicContact CE2-CG1 3.53Å; F24-K50 PolarHBondContact N-O 2.79Å; F24-F51 HydrophobicContact CB-CD1 3.61Å; F24-F51 HydrophobicContact CB-CE1 3.8Å; F24-F51 AromaticContact CD2-CD1 3.98Å; F24-F51 HydrophobicContact CD2-CD1 3.98Å; F24-F51 AromaticContact CD2-CE1 3.35Å; F24-F51 HydrophobicContact CD2-CE1 3.35Å; F24-F51 AromaticContact CD2-CZ 3.84Å; F24-F51 HydrophobicContact CD2-CZ 3.84Å; F24-F51 HydrophobicContact CE2-CE1 4.15Å; F24-F51 HydrophobicContact CE2-CZ 4.32Å; F24-F51 HydrophobicContact CG-CD1 4.15Å; F24-F51 AromaticContact CG-CE1 3.8Å; F24-F51 HydrophobicContact CG-CE1 3.8Å; F24-F51 WeakPolarHBondContact O-CA 3.31Å; F24-S52 PolarHBondContact O-N 2.9Å
25H96.8Very high91.7Very high53 Ų5348.6 Ų48.625%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-107.7108.3170.2-64.7-90.1000108.4H23 S52 Y54 L88 I92H23-H25 AromaticContact CD2-CE1 3.88Å; H23-H25 AromaticContact CD2-NE2 3.62Å; H23-H25 AromaticContact CE1-CE1 3.3Å; H23-H25 PolarHBondContact CE1-CE1 3.24Å; H23-H25 AromaticContact CE1-NE2 3.5Å; H23-H25 PolarHBondContact CE1-NE2 2.81Å; H23-H25 AromaticContact CG-NE2 3.55Å; H23-H25 AromaticContact ND1-CE1 3.82Å; H23-H25 AromaticContact ND1-NE2 3.54Å; H23-H25 AromaticContact NE2-CE1 3.37Å; H23-H25 PolarHBondContact NE2-CE1 2.92Å; H23-H25 AromaticContact NE2-ND1 3.97Å; H23-H25 AromaticContact NE2-NE2 3.59Å; H23-H25 PolarHBondContact O-CD2 3.18Å; H25-S52 CarbonylContact C-O 3.6Å; H25-S52 WeakPolarHBondContact CA-O 3.5Å; H25-Y54 HydrophobicContact CB-CE2 3.87Å; H25-Y54 PolarHBondContact CE1-OH 2.87Å; H25-Y54 AromaticContact ND1-CE2 3.46Å; H25-Y54 WeakPolarHBondContact ND1-CE2 3.38Å; H25-Y54 AromaticContact ND1-CZ 3.62Å; H25-Y54 PolarHBondContact ND1-OH 2.75Å; H25-L88 HydrophobicContact CB-CD2 3.97Å; H25-I92 WeakPolarHBondContact CE1-CD1 3.36Å
26V94.6Very high91.6Very high15 Ų1548.3 Ų48.39%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-104.8122.6-176.3-179.10000109.1L7 F37 F41 S52 V53 Y54L7-V26 HydrophobicContact CD2-CG1 4.02Å; L7-V26 HydrophobicContact CD2-CG2 4.4Å; V26-F37 HydrophobicContact CG1-CD2 4.17Å; V26-F37 HydrophobicContact CG1-CE2 4.08Å; V26-F37 HydrophobicContact CG1-CZ 4.4Å; V26-F41 HydrophobicContact CG2-CE2 4.29Å; V26-F41 HydrophobicContact CG2-CZ 4.49Å; V26-S52 PolarHBondContact N-O 2.93Å; V26-V53 HydrophobicContact CB-CG1 4.25Å; V26-V53 HydrophobicContact CB-CG2 4.48Å; V26-V53 HydrophobicContact CG1-CG1 4.34Å; V26-V53 CarbonylContact O-C 3.55Å; V26-V53 VanDerWaalsContact O-CA 3.28Å; V26-V53 WeakPolarHBondContact O-CA 3.46Å; V26-Y54 PolarHBondContact O-N 3.13Å
27V92.6Very high91.6Very high30 Ų3045.5 Ų45.518%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-100.4129.5176.4-179.40000109.2Y56 L84 I87V27-Y56 HydrophobicContact CG1-CD1 4Å; V27-L84 HydrophobicContact CG2-CD2 3.91Å; V27-I87 HydrophobicContact CG1-CD1 3.98Å; V27-I87 HydrophobicContact CG1-CG2 4.44Å; V27-I87 HydrophobicContact CG2-CG2 4.06Å
28T91.2Very high91.6Very high10 Ų1047.2 Ų47.26%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-136.5172.6-177.5-169.80000111.4S33 I34 V53 Y54 D55 Y56T28-S33 WeakPolarHBondContact OG1-CB 3.42Å; T28-S33 PolarHBondContact OG1-OG 3.2Å; T28-I34 HydrophobicContact CG2-CG1 3.72Å; T28-V53 HydrophobicContact CG2-CG1 3.88Å; T28-Y54 WeakPolarHBondContact CG2-O 3.37Å; T28-Y54 PolarHBondContact N-O 3.03Å; T28-D55 WeakPolarHBondContact O-CA 3.14Å; T28-Y56 WeakPolarHBondContact O-CD1 3.43Å; T28-Y56 PolarHBondContact O-N 2.77Å
29N86.7Confident91.6Very high78 Ų7849 Ų4942%0.41726%0.256SS..SBendtrans-104.91-170.869.8-20.8000115.7Y56 N57N29-Y56 VanDerWaalsContact CA-CE1 3.44Å; N29-Y56 HydrophobicContact CB-CD1 4.42Å; N29-Y56 HydrophobicContact CB-CE1 3.44Å; N29-Y56 VanDerWaalsContact CB-CE1 3.44Å; N29-Y56 HydrophobicContact CB-CE2 4.46Å; N29-Y56 VanDerWaalsContact CB-CZ 3.46Å; N29-Y56 WeakPolarHBondContact CB-OH 3.28Å; N29-N57 PolarHBondContact O-ND2 2.84Å
30S86.8Confident91.7Very high35 Ų3546.9 Ų46.925%0.24524%0.24CC..  trans-158.8152.3-176.462.40000112.3H32 S33 I34S30-H32 PolarHBondContact O-N 3.05Å; S30-S33 PolarHBondContact O-N 3.45Å; S30-S33 PolarHBondContact OG-N 3.31Å; S30-S33 PolarHBondContact OG-OG 2.75Å; S30-I34 PolarHBondContact O-N 2.89Å; S30-I34 VanDerWaalsContact O-N 3.16Å
31R86.7Confident91.8Very high128 Ų12841.9 Ų41.948%0.48322%0.217SC..Hα-helixtrans-55.9-40.3170.4-176.764.8-163.9164.214112.5S33 I34 D35 D55R31-S33 VanDerWaalsContact C-N 3.33Å; R31-S33 PolarHBondContact O-N 3.24Å; R31-I34 VanDerWaalsContact O-CB 3.31Å; R31-I34 WeakPolarHBondContact O-CB 3.29Å; R31-I34 PolarHBondContact O-N 3.07Å; R31-I34 VanDerWaalsContact O-N 3.08Å; R31-D35 IonicContact CZ-OD1 2.71Å; R31-D35 VanDerWaalsContact CZ-OD1 3.31Å; R31-D35 IonicContact NE-OD1 3.2Å; R31-D35 PolarHBondContact NE-OD1 3.49Å; R31-D35 IonicContact NH2-OD1 3.74Å; R31-D35 PolarHBondContact NH2-OD1 3.18Å; R31-D35 PolarHBondContact O-N 3.45Å; R31-D35 VanDerWaalsContact O-N 3.08Å; R31-D55 PolarHBondContact N-OD2 3.42Å
32H87.2Confident91.9Very high49 Ų4940.3 Ų40.323%0.22721%0.21CC..Hα-helixtrans-59.6-43.6177.7-179.859.1000112.2S30 I34 D35 V36 F315S30-H32 PolarHBondContact O-N 3.05Å; H32-I34 VanDerWaalsContact C-N 3.31Å; H32-I34 PolarHBondContact O-N 2.87Å; H32-D35 PolarHBondContact O-N 3.36Å; H32-V36 WeakPolarHBondContact O-CG2 3.37Å; H32-V36 PolarHBondContact O-N 3.15Å; H32-V36 VanDerWaalsContact O-N 3.1Å; H32-F315 AromaticContact CE1-CD1 3.99Å; H32-F315 AromaticContact CE1-CD2 3.38Å; H32-F315 WeakPolarHBondContact CE1-CD2 3.29Å; H32-F315 AromaticContact CE1-CE2 3.45Å; H32-F315 VanDerWaalsContact CE1-CE2 3.45Å; H32-F315 WeakPolarHBondContact CE1-CE2 3.46Å; H32-F315 AromaticContact CE1-CG 3.66Å; H32-F315 AromaticContact CE1-CZ 3.76Å; H32-F315 AromaticContact NE2-CD1 3.89Å; H32-F315 AromaticContact NE2-CD2 3.72Å; H32-F315 AromaticContact NE2-CG 3.54Å
33S88.9Confident91.8Very high7 Ų739.8 Ų39.85%0.04921%0.207CC..Hα-helixtrans-65.5-32.4175-70.60000112.8R4 T28 S30 R31 V36 F37R4-S33 PolarHBondContact NH2-OG 2.95Å; T28-S33 WeakPolarHBondContact OG1-CB 3.42Å; T28-S33 PolarHBondContact OG1-OG 3.2Å; S30-S33 PolarHBondContact O-N 3.45Å; S30-S33 PolarHBondContact OG-N 3.31Å; S30-S33 PolarHBondContact OG-OG 2.75Å; R31-S33 VanDerWaalsContact C-N 3.33Å; R31-S33 PolarHBondContact O-N 3.24Å; S33-V36 PolarHBondContact O-N 3.26Å; S33-F37 WeakPolarHBondContact O-CD2 3.48Å; S33-F37 PolarHBondContact O-N 3.28Å
34I91.2Very high91.6Very high11 Ų1136.5 Ų36.56%0.05619%0.191CC..Hα-helixtrans-58-54.6171.5-69.2175.4000109.6T28 S30 R31 H32 V36 F37 E38 V53 D55T28-I34 HydrophobicContact CG2-CG1 3.72Å; S30-I34 PolarHBondContact O-N 2.89Å; S30-I34 VanDerWaalsContact O-N 3.16Å; R31-I34 VanDerWaalsContact O-CB 3.31Å; R31-I34 WeakPolarHBondContact O-CB 3.29Å; R31-I34 PolarHBondContact O-N 3.07Å; R31-I34 VanDerWaalsContact O-N 3.08Å; H32-I34 VanDerWaalsContact C-N 3.31Å; H32-I34 PolarHBondContact O-N 2.87Å; I34-V36 PolarHBondContact O-N 2.88Å; I34-F37 PolarHBondContact O-N 2.99Å; I34-F37 VanDerWaalsContact O-N 3.09Å; I34-E38 VanDerWaalsContact CG2-CD 3.42Å; I34-E38 HydrophobicContact CG2-CG 3.91Å; I34-E38 WeakPolarHBondContact CG2-OE1 3.48Å; I34-E38 WeakPolarHBondContact O-CB 3.48Å; I34-E38 WeakPolarHBondContact O-CG 3.49Å; I34-E38 PolarHBondContact O-N 3.44Å; I34-V53 HydrophobicContact CB-CG1 4.4Å; I34-V53 HydrophobicContact CG1-CB 4.39Å; I34-V53 HydrophobicContact CG1-CG1 3.92Å; I34-V53 HydrophobicContact CG2-CB 4.36Å; I34-D55 HydrophobicContact CD1-CB 3.53Å; I34-D55 HydrophobicContact CG1-CB 4.34Å
35D90.8Very high91.2Very high69 Ų6935.9 Ų35.937%0.36919%0.191SC..Hα-helixtrans-60.7-35.2-175.5-58.6-34.1000111.1R31 H32 N39R31-D35 IonicContact CZ-OD1 2.71Å; R31-D35 VanDerWaalsContact CZ-OD1 3.31Å; R31-D35 IonicContact NE-OD1 3.2Å; R31-D35 PolarHBondContact NE-OD1 3.49Å; R31-D35 IonicContact NH2-OD1 3.74Å; R31-D35 PolarHBondContact NH2-OD1 3.18Å; R31-D35 PolarHBondContact O-N 3.45Å; R31-D35 VanDerWaalsContact O-N 3.08Å; H32-D35 PolarHBondContact O-N 3.36Å; D35-N39 VanDerWaalsContact O-CB 3.23Å; D35-N39 WeakPolarHBondContact O-CB 3.43Å; D35-N39 PolarHBondContact O-N 2.85Å
36V91.7Very high90.8Very high3 Ų334 Ų342%0.01818%0.183CC..Hα-helixtrans-62-50.8173.6169.70000112H32 S33 I34 N39 L40 M314 F315H32-V36 WeakPolarHBondContact O-CG2 3.37Å; H32-V36 PolarHBondContact O-N 3.15Å; H32-V36 VanDerWaalsContact O-N 3.1Å; S33-V36 PolarHBondContact O-N 3.26Å; I34-V36 PolarHBondContact O-N 2.88Å; V36-N39 PolarHBondContact O-N 3.26Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 PolarHBondContact O-N 3.22Å; V36-M314 VanDerWaalsContact CG1-O 3.25Å; V36-M314 WeakPolarHBondContact CG1-O 3.49Å; V36-F315 HydrophobicContact CG2-CB 4.08Å; V36-F315 HydrophobicContact CG2-CD2 3.82Å; V36-F315 HydrophobicContact CG2-CG 4.38Å
37F92Very high90.2Very high12 Ų1235.8 Ų35.85%0.05320%0.195CC..Hα-helixtrans-69.1-41.3-179-78.3-57.8000112.1R4 L7 V26 S33 I34 N39 L40 F41 V53R4-F37 HydrophobicContact CG-CE1 4.33Å; R4-F37 HydrophobicContact CG-CZ 3.88Å; L7-F37 HydrophobicContact CD2-CD1 4.47Å; L7-F37 HydrophobicContact CD2-CE1 3.61Å; L7-F37 HydrophobicContact CD2-CZ 3.75Å; V26-F37 HydrophobicContact CG1-CD2 4.17Å; V26-F37 HydrophobicContact CG1-CE2 4.08Å; V26-F37 HydrophobicContact CG1-CZ 4.4Å; S33-F37 WeakPolarHBondContact O-CD2 3.48Å; S33-F37 PolarHBondContact O-N 3.28Å; I34-F37 PolarHBondContact O-N 2.99Å; I34-F37 VanDerWaalsContact O-N 3.09Å; F37-N39 VanDerWaalsContact C-N 3.31Å; F37-N39 PolarHBondContact O-N 3.44Å; F37-L40 PolarHBondContact O-N 3.39Å; F37-F41 HydrophobicContact CB-CD2 4.23Å; F37-F41 HydrophobicContact CB-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CE2 4.02Å; F37-F41 HydrophobicContact CD1-CZ 4.13Å; F37-F41 HydrophobicContact CG-CE2 4.29Å; F37-F41 WeakPolarHBondContact O-CD2 3.34Å; F37-F41 WeakPolarHBondContact O-CG 3.45Å; F37-F41 PolarHBondContact O-N 3.41Å; F37-V53 HydrophobicContact CB-CG1 4.24Å; F37-V53 HydrophobicContact CB-CG2 3.85Å; F37-V53 HydrophobicContact CD2-CG1 4.2Å
38E93Very high89.7Confident90 Ų9035.8 Ų35.842%0.42119%0.193SC..Hα-helixtrans-59.8-43175-73-177.3164.900111I34 A42 V53I34-E38 VanDerWaalsContact CG2-CD 3.42Å; I34-E38 HydrophobicContact CG2-CG 3.91Å; I34-E38 WeakPolarHBondContact CG2-OE1 3.48Å; I34-E38 WeakPolarHBondContact O-CB 3.48Å; I34-E38 WeakPolarHBondContact O-CG 3.49Å; I34-E38 PolarHBondContact O-N 3.44Å; E38-A42 WeakPolarHBondContact O-CB 3.31Å; E38-A42 PolarHBondContact O-N 3.46Å; E38-V53 HydrophobicContact CG-CG2 4.27Å
39N93.4Very high89.8Confident52 Ų5236.3 Ų36.328%0.27820%0.196SC..Hα-helixtrans-62.6-47.4174.8-172.8-86.6000112D35 V36 F37 F41 A42 T43 V312 M314D35-N39 VanDerWaalsContact O-CB 3.23Å; D35-N39 WeakPolarHBondContact O-CB 3.43Å; D35-N39 PolarHBondContact O-N 2.85Å; V36-N39 PolarHBondContact O-N 3.26Å; F37-N39 VanDerWaalsContact C-N 3.31Å; F37-N39 PolarHBondContact O-N 3.44Å; N39-F41 PolarHBondContact O-N 3.16Å; N39-A42 PolarHBondContact O-N 3.01Å; N39-T43 WeakPolarHBondContact O-CB 3.36Å; N39-T43 VanDerWaalsContact O-CG2 3.28Å; N39-T43 WeakPolarHBondContact O-CG2 3.4Å; N39-T43 PolarHBondContact O-N 2.97Å; N39-T43 PolarHBondContact O-OG1 3.25Å; N39-V312 PolarHBondContact OD1-O 3.29Å; N39-M314 HydrophobicContact CB-SD 4.23Å
40L93.9Very high90.1Very high3 Ų338.6 Ų38.62%0.01620%0.202CC..Hα-helixtrans-57.1-50.9178.517660.7000111V8 V36 F37 T43 W44 V312 H313V8-L40 HydrophobicContact CG2-CD2 3.79Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 PolarHBondContact O-N 3.22Å; F37-L40 PolarHBondContact O-N 3.39Å; L40-T43 PolarHBondContact O-N 2.84Å; L40-T43 PolarHBondContact O-OG1 3.1Å; L40-T43 VanDerWaalsContact O-OG1 3.07Å; L40-W44 HydrophobicContact CD1-CE3 4.46Å; L40-W44 HydrophobicContact CG-CE3 4.44Å; L40-W44 VanDerWaalsContact O-CB 3.25Å; L40-W44 WeakPolarHBondContact O-CB 3.44Å; L40-W44 PolarHBondContact O-N 3.27Å; L40-V312 WeakPolarHBondContact CA-O 3.07Å; L40-H313 HydrophobicContact CD1-CB 4.11Å
41F92.8Very high90.5Very high12 Ų1239 Ų395%0.05320%0.199CC..Hα-helixtrans-71.9-37.3-177.5-61.8-45000113I11 V26 F37 N39 T43 W44 A45 F51I11-F41 HydrophobicContact CD1-CE1 3.64Å; I11-F41 HydrophobicContact CD1-CZ 3.72Å; V26-F41 HydrophobicContact CG2-CE2 4.29Å; V26-F41 HydrophobicContact CG2-CZ 4.49Å; F37-F41 HydrophobicContact CB-CD2 4.23Å; F37-F41 HydrophobicContact CB-CE2 3.88Å; F37-F41 HydrophobicContact CD1-CE2 4.02Å; F37-F41 HydrophobicContact CD1-CZ 4.13Å; F37-F41 HydrophobicContact CG-CE2 4.29Å; F37-F41 WeakPolarHBondContact O-CD2 3.34Å; F37-F41 WeakPolarHBondContact O-CG 3.45Å; F37-F41 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact O-N 3.16Å; F41-T43 VanDerWaalsContact C-N 3.34Å; F41-T43 PolarHBondContact O-N 3.47Å; F41-W44 HydrophobicContact CD1-CE3 4.29Å; F41-W44 HydrophobicContact CE1-CE3 4.48Å; F41-W44 PolarHBondContact O-N 2.88Å; F41-A45 PolarHBondContact O-N 3.27Å; F41-F51 HydrophobicContact CB-CB 4.17Å; F41-F51 HydrophobicContact CB-CD1 4.29Å; F41-F51 HydrophobicContact CB-CD2 3.52Å; F41-F51 HydrophobicContact CB-CE2 3.85Å; F41-F51 HydrophobicContact CB-CG 3.73Å; F41-F51 HydrophobicContact CB-CZ 4.39Å; F41-F51 AromaticContact CD1-CD1 3.56Å; F41-F51 HydrophobicContact CD1-CD1 3.56Å; F41-F51 AromaticContact CD1-CD2 3.93Å; F41-F51 HydrophobicContact CD1-CD2 3.93Å; F41-F51 AromaticContact CD1-CE1 3.26Å; F41-F51 HydrophobicContact CD1-CE1 3.26Å; F41-F51 AromaticContact CD1-CE2 3.61Å; F41-F51 HydrophobicContact CD1-CE2 3.61Å; F41-F51 AromaticContact CD1-CG 3.89Å; F41-F51 HydrophobicContact CD1-CG 3.89Å; F41-F51 AromaticContact CD1-CZ 3.25Å; F41-F51 HydrophobicContact CD1-CZ 3.25Å; F41-F51 HydrophobicContact CD2-CB 3.69Å; F41-F51 AromaticContact CD2-CD1 3.36Å; F41-F51 HydrophobicContact CD2-CD1 3.36Å; F41-F51 HydrophobicContact CD2-CD2 4.15Å; F41-F51 AromaticContact CD2-CE1 3.98Å; F41-F51 HydrophobicContact CD2-CE1 3.98Å; F41-F51 AromaticContact CD2-CG 3.46Å; F41-F51 HydrophobicContact CD2-CG 3.46Å; F41-F51 VanDerWaalsContact CD2-CG 3.46Å; F41-F51 AromaticContact CE1-CD1 3.62Å; F41-F51 HydrophobicContact CE1-CD1 3.62Å; F41-F51 AromaticContact CE1-CE1 3.15Å; F41-F51 HydrophobicContact CE1-CE1 3.15Å; F41-F51 HydrophobicContact CE1-CE2 4.35Å; F41-F51 HydrophobicContact CE1-CG 4.39Å; F41-F51 AromaticContact CE1-CZ 3.56Å; F41-F51 HydrophobicContact CE1-CZ 3.56Å; F41-F51 HydrophobicContact CE2-CB 4.33Å; F41-F51 AromaticContact CE2-CD1 3.4Å; F41-F51 HydrophobicContact CE2-CD1 3.4Å; F41-F51 AromaticContact CE2-CE1 3.87Å; F41-F51 HydrophobicContact CE2-CE1 3.87Å; F41-F51 HydrophobicContact CE2-CG 4Å; F41-F51 HydrophobicContact CG-CB 4.02Å; F41-F51 AromaticContact CG-CD1 3.46Å; F41-F51 HydrophobicContact CG-CD1 3.46Å; F41-F51 VanDerWaalsContact CG-CD1 3.46Å; F41-F51 AromaticContact CG-CD2 3.6Å; F41-F51 HydrophobicContact CG-CD2 3.6Å; F41-F51 AromaticContact CG-CE1 3.7Å; F41-F51 HydrophobicContact CG-CE1 3.7Å; F41-F51 AromaticContact CG-CE2 3.79Å; F41-F51 HydrophobicContact CG-CE2 3.79Å; F41-F51 AromaticContact CG-CG 3.4Å; F41-F51 HydrophobicContact CG-CG 3.4Å; F41-F51 VanDerWaalsContact CG-CG 3.4Å; F41-F51 AromaticContact CG-CZ 3.83Å; F41-F51 HydrophobicContact CG-CZ 3.83Å; F41-F51 AromaticContact CZ-CD1 3.53Å; F41-F51 HydrophobicContact CZ-CD1 3.53Å; F41-F51 AromaticContact CZ-CE1 3.47Å; F41-F51 HydrophobicContact CZ-CE1 3.47Å; F41-F51 VanDerWaalsContact CZ-CE1 3.47Å; F41-F51 HydrophobicContact CZ-CG 4.44Å; F41-F51 HydrophobicContact CZ-CZ 4.31Å
42A92.1Very high90.9Very high61 Ų6134.2 Ų34.250%0.50419%0.185SC..Hα-helixtrans-64.3-39.1175.500000112.1E38 N39 K309E38-A42 WeakPolarHBondContact O-CB 3.31Å; E38-A42 PolarHBondContact O-N 3.46Å; N39-A42 PolarHBondContact O-N 3.01Å; A42-K309 WeakPolarHBondContact O-CE 3.21Å; A42-K309 PolarHBondContact O-NZ 3.21Å
43T93.3Very high91.2Very high22 Ų2232.8 Ų32.814%0.13518%0.18CC..Hα-helixtrans-77.5-32177.458.80000112.5N39 L40 F41 A45 R270 H310 V312N39-T43 WeakPolarHBondContact O-CB 3.36Å; N39-T43 VanDerWaalsContact O-CG2 3.28Å; N39-T43 WeakPolarHBondContact O-CG2 3.4Å; N39-T43 PolarHBondContact O-N 2.97Å; N39-T43 PolarHBondContact O-OG1 3.25Å; L40-T43 PolarHBondContact O-N 2.84Å; L40-T43 PolarHBondContact O-OG1 3.1Å; L40-T43 VanDerWaalsContact O-OG1 3.07Å; F41-T43 VanDerWaalsContact C-N 3.34Å; F41-T43 PolarHBondContact O-N 3.47Å; T43-A45 VanDerWaalsContact C-N 3.34Å; T43-R270 PolarHBondContact O-NH2 3.07Å; T43-H310 WeakPolarHBondContact CB-O 3.31Å; T43-V312 HydrophobicContact CG2-CB 4.2Å; T43-V312 HydrophobicContact CG2-CG2 4.16Å; T43-V312 PolarHBondContact OG1-N 3.45Å; T43-V312 PolarHBondContact OG1-O 3.45Å
44W92.1Very high91.4Very high1 Ų134.5 Ų34.50%0.00419%0.186CC..Hα-helixtrans-63.8-37.7172.4-155.9-21.5000112.8V8 I11 K12 L40 F41 L46 G266 L269 R270 R311V8-W44 HydrophobicContact CG1-CH2 4.02Å; V8-W44 HydrophobicContact CG1-CZ3 4.23Å; I11-W44 HydrophobicContact CG2-CH2 4.07Å; I11-W44 HydrophobicContact CG2-CZ3 4.18Å; K12-W44 HydrophobicContact CG-CH2 4.04Å; K12-W44 HydrophobicContact CG-CZ2 4.18Å; L40-W44 HydrophobicContact CD1-CE3 4.46Å; L40-W44 HydrophobicContact CG-CE3 4.44Å; L40-W44 VanDerWaalsContact O-CB 3.25Å; L40-W44 WeakPolarHBondContact O-CB 3.44Å; L40-W44 PolarHBondContact O-N 3.27Å; F41-W44 HydrophobicContact CD1-CE3 4.29Å; F41-W44 HydrophobicContact CE1-CE3 4.48Å; F41-W44 PolarHBondContact O-N 2.88Å; W44-L46 HydrophobicContact CB-CD1 4.5Å; W44-L46 HydrophobicContact CB-CG 4.35Å; W44-L46 HydrophobicContact CD2-CD1 3.75Å; W44-L46 HydrophobicContact CD2-CG 4.21Å; W44-L46 HydrophobicContact CE3-CD1 4.23Å; W44-L46 HydrophobicContact CG-CD1 3.84Å; W44-L46 HydrophobicContact CG-CD2 4.27Å; W44-L46 HydrophobicContact CG-CG 3.79Å; W44-G266 PolarHBondContact NE1-O 3.16Å; W44-L269 HydrophobicContact CZ2-CD1 4.08Å; W44-R270 WeakPolarHBondContact O-CD 2.97Å; W44-R270 WeakPolarHBondContact O-CG 3.03Å; W44-R270 PolarHBondContact O-NE 3.21Å; W44-R311 VanDerWaalsContact CA-CG 3.49Å; W44-R311 HydrophobicContact CB-CG 3.85Å; W44-R311 HydrophobicContact CD2-CG 4.46Å; W44-R311 HydrophobicContact CG-CG 3.79Å
45A87.8Confident91.4Very high12 Ų1235.3 Ų35.310%0.09919%0.191CC..  trans57.155.5170.200000112.4F41 T43 P47 T282 K309F41-A45 PolarHBondContact O-N 3.27Å; T43-A45 VanDerWaalsContact C-N 3.34Å; A45-P47 WeakPolarHBondContact O-CD 3.43Å; A45-T282 HydrophobicContact CB-CG2 3.67Å; A45-T282 WeakPolarHBondContact O-CG2 3.22Å; A45-T282 PolarHBondContact O-OG1 3.29Å; A45-K309 HydrophobicContact CB-CD 4.06Å; A45-K309 VanDerWaalsContact CB-NZ 3.33Å
46L88.5Confident91.3Very high14 Ų1433 Ų337%0.07318%0.177CC..  trans-86114.6179.8-67.9166.5000109.8L15 W44 Q48 V49 F51 L269 R270L15-L46 HydrophobicContact CD1-CD1 3.58Å; L15-L46 HydrophobicContact CD1-CD2 4.27Å; W44-L46 HydrophobicContact CB-CD1 4.5Å; W44-L46 HydrophobicContact CB-CG 4.35Å; W44-L46 HydrophobicContact CD2-CD1 3.75Å; W44-L46 HydrophobicContact CD2-CG 4.21Å; W44-L46 HydrophobicContact CE3-CD1 4.23Å; W44-L46 HydrophobicContact CG-CD1 3.84Å; W44-L46 HydrophobicContact CG-CD2 4.27Å; W44-L46 HydrophobicContact CG-CG 3.79Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.38Å; L46-V49 HydrophobicContact CB-CB 3.8Å; L46-V49 HydrophobicContact CB-CG2 3.76Å; L46-V49 HydrophobicContact CD1-CB 4.4Å; L46-V49 HydrophobicContact CD1-CG2 4.17Å; L46-V49 PolarHBondContact O-N 3.31Å; L46-F51 HydrophobicContact CD1-CE2 4.08Å; L46-F51 HydrophobicContact CD1-CZ 3.97Å; L46-L269 HydrophobicContact CD2-CB 3.91Å; L46-R270 HydrophobicContact CD2-CG 4.48Å
47P81.8Confident90.9Very high53 Ų5336.7 Ų36.734%0.34420%0.196SC..THydrogen-bonded Turntrans-67-30.5-171.921.3-29.5000113.7A45 V49 T282A45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-V49 VanDerWaalsContact C-N 3.3Å; P47-T282 VanDerWaalsContact CB-OG1 3.32Å; P47-T282 WeakPolarHBondContact CB-OG1 3.44Å; P47-T282 WeakPolarHBondContact CD-OG1 3.45Å; P47-T282 WeakPolarHBondContact CG-OG1 3.49Å
48Q82.7Confident90.3Very high30 Ų3046.3 Ų46.314%0.1423%0.232CC..THydrogen-bonded Turntrans-90.63.2-174-62.9-113.14.100112.9S21 V22 L46 F274S21-Q48 VanDerWaalsContact CA-O 3.31Å; S21-Q48 WeakPolarHBondContact CA-O 3.17Å; S21-Q48 WeakPolarHBondContact CB-O 3.44Å; V22-Q48 PolarHBondContact N-O 3.31Å; V22-Q48 VanDerWaalsContact N-O 3.09Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.38Å; Q48-F274 VanDerWaalsContact OE1-CD2 3.29Å
49V91.8Very high89.4Confident21 Ų2145.3 Ų45.313%0.12724%0.236CC..EExtended strand (participates in β ladder)trans-128128.6-165.2-168.80000110.7L15 V22 F24 L46 P47 F51L15-V49 HydrophobicContact CD1-CG2 4.21Å; L15-V49 HydrophobicContact CD2-CG2 3.46Å; L15-V49 VanDerWaalsContact CD2-CG2 3.46Å; L15-V49 HydrophobicContact CG-CG2 4.49Å; V22-V49 VanDerWaalsContact O-CA 3.3Å; V22-V49 WeakPolarHBondContact O-CA 3.42Å; F24-V49 HydrophobicContact CD2-CG1 3.33Å; F24-V49 HydrophobicContact CE2-CG1 3.53Å; L46-V49 HydrophobicContact CB-CB 3.8Å; L46-V49 HydrophobicContact CB-CG2 3.76Å; L46-V49 HydrophobicContact CD1-CB 4.4Å; L46-V49 HydrophobicContact CD1-CG2 4.17Å; L46-V49 PolarHBondContact O-N 3.31Å; P47-V49 VanDerWaalsContact C-N 3.3Å; V49-F51 HydrophobicContact CB-CD2 4.48Å; V49-F51 HydrophobicContact CB-CE2 3.76Å; V49-F51 HydrophobicContact CB-CZ 4.14Å; V49-F51 HydrophobicContact CG1-CD1 4.46Å; V49-F51 HydrophobicContact CG1-CD2 3.84Å; V49-F51 HydrophobicContact CG1-CE1 3.89Å; V49-F51 HydrophobicContact CG1-CE2 3.2Å; V49-F51 HydrophobicContact CG1-CG 4.45Å; V49-F51 HydrophobicContact CG1-CZ 3.23Å
50K93.9Very high89Confident126 Ų12644.7 Ų44.755%0.54824%0.241SC..EExtended strand (participates in β ladder)trans-104.6142.4167.6-173.7174.7171.6-172.90109.1V22 H23 F24V22-K50 PolarHBondContact O-N 3.09Å; H23-K50 CarbonylContact C-O 3.5Å; H23-K50 WeakPolarHBondContact CA-O 3.4Å; H23-K50 HydrophobicContact CB-CB 4.22Å; H23-K50 PolarHBondContact CD2-O 3.1Å; H23-K50 VanDerWaalsContact CE1-CE 3.45Å; H23-K50 WeakPolarHBondContact CE1-CE 3.41Å; F24-K50 PolarHBondContact N-O 2.79Å
51F94.2Very high88.7Confident42 Ų4245.1 Ų45.118%0.18424%0.244CC..EExtended strand (participates in β ladder)trans-121.9140.7175.8-65.5-86.5000110I11 F24 F41 L46 V49I11-F51 HydrophobicContact CD1-CE1 4.24Å; F24-F51 HydrophobicContact CB-CD1 3.61Å; F24-F51 HydrophobicContact CB-CE1 3.8Å; F24-F51 AromaticContact CD2-CD1 3.98Å; F24-F51 HydrophobicContact CD2-CD1 3.98Å; F24-F51 AromaticContact CD2-CE1 3.35Å; F24-F51 HydrophobicContact CD2-CE1 3.35Å; F24-F51 AromaticContact CD2-CZ 3.84Å; F24-F51 HydrophobicContact CD2-CZ 3.84Å; F24-F51 HydrophobicContact CE2-CE1 4.15Å; F24-F51 HydrophobicContact CE2-CZ 4.32Å; F24-F51 HydrophobicContact CG-CD1 4.15Å; F24-F51 AromaticContact CG-CE1 3.8Å; F24-F51 HydrophobicContact CG-CE1 3.8Å; F24-F51 WeakPolarHBondContact O-CA 3.31Å; F41-F51 HydrophobicContact CB-CB 4.17Å; F41-F51 HydrophobicContact CB-CD1 4.29Å; F41-F51 HydrophobicContact CB-CD2 3.52Å; F41-F51 HydrophobicContact CB-CE2 3.85Å; F41-F51 HydrophobicContact CB-CG 3.73Å; F41-F51 HydrophobicContact CB-CZ 4.39Å; F41-F51 AromaticContact CD1-CD1 3.56Å; F41-F51 HydrophobicContact CD1-CD1 3.56Å; F41-F51 AromaticContact CD1-CD2 3.93Å; F41-F51 HydrophobicContact CD1-CD2 3.93Å; F41-F51 AromaticContact CD1-CE1 3.26Å; F41-F51 HydrophobicContact CD1-CE1 3.26Å; F41-F51 AromaticContact CD1-CE2 3.61Å; F41-F51 HydrophobicContact CD1-CE2 3.61Å; F41-F51 AromaticContact CD1-CG 3.89Å; F41-F51 HydrophobicContact CD1-CG 3.89Å; F41-F51 AromaticContact CD1-CZ 3.25Å; F41-F51 HydrophobicContact CD1-CZ 3.25Å; F41-F51 HydrophobicContact CD2-CB 3.69Å; F41-F51 AromaticContact CD2-CD1 3.36Å; F41-F51 HydrophobicContact CD2-CD1 3.36Å; F41-F51 HydrophobicContact CD2-CD2 4.15Å; F41-F51 AromaticContact CD2-CE1 3.98Å; F41-F51 HydrophobicContact CD2-CE1 3.98Å; F41-F51 AromaticContact CD2-CG 3.46Å; F41-F51 HydrophobicContact CD2-CG 3.46Å; F41-F51 VanDerWaalsContact CD2-CG 3.46Å; F41-F51 AromaticContact CE1-CD1 3.62Å; F41-F51 HydrophobicContact CE1-CD1 3.62Å; F41-F51 AromaticContact CE1-CE1 3.15Å; F41-F51 HydrophobicContact CE1-CE1 3.15Å; F41-F51 HydrophobicContact CE1-CE2 4.35Å; F41-F51 HydrophobicContact CE1-CG 4.39Å; F41-F51 AromaticContact CE1-CZ 3.56Å; F41-F51 HydrophobicContact CE1-CZ 3.56Å; F41-F51 HydrophobicContact CE2-CB 4.33Å; F41-F51 AromaticContact CE2-CD1 3.4Å; F41-F51 HydrophobicContact CE2-CD1 3.4Å; F41-F51 AromaticContact CE2-CE1 3.87Å; F41-F51 HydrophobicContact CE2-CE1 3.87Å; F41-F51 HydrophobicContact CE2-CG 4Å; F41-F51 HydrophobicContact CG-CB 4.02Å; F41-F51 AromaticContact CG-CD1 3.46Å; F41-F51 HydrophobicContact CG-CD1 3.46Å; F41-F51 VanDerWaalsContact CG-CD1 3.46Å; F41-F51 AromaticContact CG-CD2 3.6Å; F41-F51 HydrophobicContact CG-CD2 3.6Å; F41-F51 AromaticContact CG-CE1 3.7Å; F41-F51 HydrophobicContact CG-CE1 3.7Å; F41-F51 AromaticContact CG-CE2 3.79Å; F41-F51 HydrophobicContact CG-CE2 3.79Å; F41-F51 AromaticContact CG-CG 3.4Å; F41-F51 HydrophobicContact CG-CG 3.4Å; F41-F51 VanDerWaalsContact CG-CG 3.4Å; F41-F51 AromaticContact CG-CZ 3.83Å; F41-F51 HydrophobicContact CG-CZ 3.83Å; F41-F51 AromaticContact CZ-CD1 3.53Å; F41-F51 HydrophobicContact CZ-CD1 3.53Å; F41-F51 AromaticContact CZ-CE1 3.47Å; F41-F51 HydrophobicContact CZ-CE1 3.47Å; F41-F51 VanDerWaalsContact CZ-CE1 3.47Å; F41-F51 HydrophobicContact CZ-CG 4.44Å; F41-F51 HydrophobicContact CZ-CZ 4.31Å; L46-F51 HydrophobicContact CD1-CE2 4.08Å; L46-F51 HydrophobicContact CD1-CZ 3.97Å; V49-F51 HydrophobicContact CB-CD2 4.48Å; V49-F51 HydrophobicContact CB-CE2 3.76Å; V49-F51 HydrophobicContact CB-CZ 4.14Å; V49-F51 HydrophobicContact CG1-CD1 4.46Å; V49-F51 HydrophobicContact CG1-CD2 3.84Å; V49-F51 HydrophobicContact CG1-CE1 3.89Å; V49-F51 HydrophobicContact CG1-CE2 3.2Å; V49-F51 HydrophobicContact CG1-CG 4.45Å; V49-F51 HydrophobicContact CG1-CZ 3.23Å
52S95.8Very high88.6Confident28 Ų2845.1 Ų45.120%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-138.5124.9168.4-61.60000108.5H23 F24 H25 V26 Y54H23-S52 PolarHBondContact NE2-OG 3.06Å; F24-S52 PolarHBondContact O-N 2.9Å; H25-S52 CarbonylContact C-O 3.6Å; H25-S52 WeakPolarHBondContact CA-O 3.5Å; V26-S52 PolarHBondContact N-O 2.93Å; S52-Y54 WeakPolarHBondContact CB-OH 3.41Å; S52-Y54 WeakPolarHBondContact O-CE2 3.2Å
53V94.6Very high88.6Confident20 Ų2048.4 Ų48.412%0.12125%0.249CC..EExtended strand (participates in β ladder)trans-111.9132.6-176.2-163.80000108.9V26 T28 I34 F37 E38V26-V53 HydrophobicContact CB-CG1 4.25Å; V26-V53 HydrophobicContact CB-CG2 4.48Å; V26-V53 HydrophobicContact CG1-CG1 4.34Å; V26-V53 CarbonylContact O-C 3.55Å; V26-V53 VanDerWaalsContact O-CA 3.28Å; V26-V53 WeakPolarHBondContact O-CA 3.46Å; T28-V53 HydrophobicContact CG2-CG1 3.88Å; I34-V53 HydrophobicContact CB-CG1 4.4Å; I34-V53 HydrophobicContact CG1-CB 4.39Å; I34-V53 HydrophobicContact CG1-CG1 3.92Å; I34-V53 HydrophobicContact CG2-CB 4.36Å; F37-V53 HydrophobicContact CB-CG1 4.24Å; F37-V53 HydrophobicContact CB-CG2 3.85Å; F37-V53 HydrophobicContact CD2-CG1 4.2Å; E38-V53 HydrophobicContact CG-CG2 4.27Å
54Y93.3Very high88.7Confident42 Ų4250.2 Ų50.217%0.16526%0.256CS..EExtended strand (participates in β ladder)trans-121.8132.2-173.9-55.2-89.6000110H25 V26 T28 S52 I87 L88 P89H25-Y54 HydrophobicContact CB-CE2 3.87Å; H25-Y54 PolarHBondContact CE1-OH 2.87Å; H25-Y54 AromaticContact ND1-CE2 3.46Å; H25-Y54 WeakPolarHBondContact ND1-CE2 3.38Å; H25-Y54 AromaticContact ND1-CZ 3.62Å; H25-Y54 PolarHBondContact ND1-OH 2.75Å; V26-Y54 PolarHBondContact O-N 3.13Å; T28-Y54 WeakPolarHBondContact CG2-O 3.37Å; T28-Y54 PolarHBondContact N-O 3.03Å; S52-Y54 WeakPolarHBondContact CB-OH 3.41Å; S52-Y54 WeakPolarHBondContact O-CE2 3.2Å; Y54-I87 HydrophobicContact CG-CG2 4.15Å; Y54-L88 HydrophobicContact CD2-CD2 3.9Å; Y54-L88 HydrophobicContact CE1-CD2 4.49Å; Y54-L88 HydrophobicContact CE2-CD2 3.63Å; Y54-L88 HydrophobicContact CG-CD2 4.44Å; Y54-P89 HydrophobicContact CE1-CG 4.04Å; Y54-P89 WeakPolarHBondContact OH-CD 3.41Å
55D91.1Very high88.8Confident29 Ų2950.1 Ų50.116%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-95.6111.6170.2-179.6-1.2000109T28 R31 I34 N57 R58T28-D55 WeakPolarHBondContact O-CA 3.14Å; R31-D55 PolarHBondContact N-OD2 3.42Å; I34-D55 HydrophobicContact CD1-CB 3.53Å; I34-D55 HydrophobicContact CG1-CB 4.34Å; D55-N57 PolarHBondContact O-N 2.91Å; D55-N57 WeakPolarHBondContact OD1-CB 3.13Å; D55-N57 PolarHBondContact OD1-N 3.06Å; D55-R58 HydrophobicContact CB-CB 4.43Å; D55-R58 PolarHBondContact O-N 2.88Å
56Y87.4Confident89.2Confident19 Ų1951.6 Ų51.68%0.07527%0.268CS..THydrogen-bonded Turntrans-68.6-17.4-177.867.9-111.4000113.2V27 T28 N29 I62 F77 T80V27-Y56 HydrophobicContact CG1-CD1 4Å; T28-Y56 WeakPolarHBondContact O-CD1 3.43Å; T28-Y56 PolarHBondContact O-N 2.77Å; N29-Y56 VanDerWaalsContact CA-CE1 3.44Å; N29-Y56 HydrophobicContact CB-CD1 4.42Å; N29-Y56 HydrophobicContact CB-CE1 3.44Å; N29-Y56 VanDerWaalsContact CB-CE1 3.44Å; N29-Y56 HydrophobicContact CB-CE2 4.46Å; N29-Y56 VanDerWaalsContact CB-CZ 3.46Å; N29-Y56 WeakPolarHBondContact CB-OH 3.28Å; Y56-I62 HydrophobicContact CD2-CB 3.93Å; Y56-I62 HydrophobicContact CD2-CD1 3.45Å; Y56-I62 VanDerWaalsContact CD2-CD1 3.45Å; Y56-I62 HydrophobicContact CD2-CG1 3.77Å; Y56-I62 HydrophobicContact CE2-CB 4.34Å; Y56-I62 HydrophobicContact CE2-CD1 3.56Å; Y56-I62 HydrophobicContact CE2-CG1 3.75Å; Y56-I62 HydrophobicContact CG-CD1 4.26Å; Y56-F77 HydrophobicContact CE1-CD2 4.2Å; Y56-T80 HydrophobicContact CD1-CG2 3.89Å; Y56-T80 HydrophobicContact CE1-CG2 4.06Å; Y56-T80 HydrophobicContact CG-CG2 4.16Å
57N84.6Confident89.5Confident81 Ų8155.4 Ų55.443%0.43328%0.282SS..THydrogen-bonded Turntrans-76.4-25.3177.5-75.6-34000112.1N29 D55 S59N29-N57 PolarHBondContact O-ND2 2.84Å; D55-N57 PolarHBondContact O-N 2.91Å; D55-N57 WeakPolarHBondContact OD1-CB 3.13Å; D55-N57 PolarHBondContact OD1-N 3.06Å; N57-S59 PolarHBondContact O-N 3.16Å
58R77.7Confident90.2Very high214 Ų21453.3 Ų53.381%0.80827%0.267SS*.THydrogen-bonded Turntrans-70.6-31.9-172.6-172.5177.3179.6-173.31.3113.6D55D55-R58 HydrophobicContact CB-CB 4.43Å; D55-R58 PolarHBondContact O-N 2.88Å
59S75Confident90.9Very high70 Ų7054.6 Ų54.649%0.4928%0.278SS..THydrogen-bonded Turntrans-88.6-3.9-175.251.30000113.6N57 T61N57-S59 PolarHBondContact O-N 3.16Å; S59-T61 VanDerWaalsContact CB-OG1 3.23Å; S59-T61 WeakPolarHBondContact CB-OG1 3.48Å; S59-T61 PolarHBondContact O-N 2.94Å; S59-T61 WeakPolarHBondContact OG-CB 3.42Å; S59-T61 PolarHBondContact OG-N 2.8Å; S59-T61 PolarHBondContact OG-OG1 3Å
60G84.1Confident91Very high38 Ų3855.4 Ų55.439%0.39228%0.282SS..SBendtrans65.7-0.3-168.100000113.5I62 E63G60-I62 PolarHBondContact O-N 3.13Å; G60-E63 WeakPolarHBondContact O-CB 3.43Å; G60-E63 WeakPolarHBondContact O-CG 3.21Å; G60-E63 PolarHBondContact O-N 3.11Å
61T88.9Confident90.9Very high13 Ų1357.2 Ų57.28%0.0829%0.285CS..THydrogen-bonded Turntrans-57.4-25.9-178.6-61.70000112.8S59 E63 E64 V83 E86 I87S59-T61 VanDerWaalsContact CB-OG1 3.23Å; S59-T61 WeakPolarHBondContact CB-OG1 3.48Å; S59-T61 PolarHBondContact O-N 2.94Å; S59-T61 WeakPolarHBondContact OG-CB 3.42Å; S59-T61 PolarHBondContact OG-N 2.8Å; S59-T61 PolarHBondContact OG-OG1 3Å; T61-E63 PolarHBondContact O-N 3.31Å; T61-E64 VanDerWaalsContact O-CB 3.22Å; T61-E64 WeakPolarHBondContact O-CB 3.35Å; T61-E64 WeakPolarHBondContact O-CG 3.44Å; T61-E64 PolarHBondContact O-N 2.91Å; T61-V83 HydrophobicContact CG2-CB 3.65Å; T61-V83 HydrophobicContact CG2-CG1 4.4Å; T61-V83 HydrophobicContact CG2-CG2 3.8Å; T61-E86 HydrophobicContact CG2-CB 3.5Å; T61-E86 HydrophobicContact CG2-CG 4.33Å; T61-I87 HydrophobicContact CG2-CG1 3.8Å
62I89.3Confident90.7Very high12 Ų1257.2 Ų57.26%0.06229%0.286CS..THydrogen-bonded Turntrans-61.9-27.3178.2-156.761.7000112.8Y56 G60 E64 V65 A66 L76 T80Y56-I62 HydrophobicContact CD2-CB 3.93Å; Y56-I62 HydrophobicContact CD2-CD1 3.45Å; Y56-I62 VanDerWaalsContact CD2-CD1 3.45Å; Y56-I62 HydrophobicContact CD2-CG1 3.77Å; Y56-I62 HydrophobicContact CE2-CB 4.34Å; Y56-I62 HydrophobicContact CE2-CD1 3.56Å; Y56-I62 HydrophobicContact CE2-CG1 3.75Å; Y56-I62 HydrophobicContact CG-CD1 4.26Å; G60-I62 PolarHBondContact O-N 3.13Å; I62-E64 PolarHBondContact O-N 3.04Å; I62-E64 VanDerWaalsContact O-N 3.17Å; I62-V65 HydrophobicContact CD1-CG2 3.96Å; I62-V65 WeakPolarHBondContact O-CG2 3.49Å; I62-V65 PolarHBondContact O-N 3.47Å; I62-A66 WeakPolarHBondContact O-CB 3.47Å; I62-A66 PolarHBondContact O-N 3.41Å; I62-L76 HydrophobicContact CD1-CD1 3.92Å; I62-L76 HydrophobicContact CD1-CD2 4.11Å; I62-L76 HydrophobicContact CD1-CG 3.75Å; I62-L76 HydrophobicContact CG1-CD1 4Å; I62-L76 HydrophobicContact CG1-CD2 3.55Å; I62-L76 HydrophobicContact CG1-CG 3.78Å; I62-T80 HydrophobicContact CD1-CG2 3.92Å
63E92.8Very high90.3Very high129 Ų12961.4 Ų61.460%0.60330%0.298SS*.Hα-helixtrans-62.8-20.9175.7-62.3-56.3146.100112.6G60 T61 V65G60-E63 WeakPolarHBondContact O-CB 3.43Å; G60-E63 WeakPolarHBondContact O-CG 3.21Å; G60-E63 PolarHBondContact O-N 3.11Å; T61-E63 PolarHBondContact O-N 3.31Å; E63-V65 PolarHBondContact O-N 3Å
64E94.6Very high89.9Confident60 Ų6062 Ų6228%0.2830%0.303SS..Hα-helixtrans-65.6-20.4174.9-60.5-60.7143.300112.7T61 I62 W67 V83 V170 K174T61-E64 VanDerWaalsContact O-CB 3.22Å; T61-E64 WeakPolarHBondContact O-CB 3.35Å; T61-E64 WeakPolarHBondContact O-CG 3.44Å; T61-E64 PolarHBondContact O-N 2.91Å; I62-E64 PolarHBondContact O-N 3.04Å; I62-E64 VanDerWaalsContact O-N 3.17Å; E64-W67 PolarHBondContact O-NE1 2.71Å; E64-V83 HydrophobicContact CB-CG1 3.69Å; E64-V170 HydrophobicContact CB-CG1 4.39Å; E64-V170 HydrophobicContact CG-CG1 4.39Å; E64-V170 WeakPolarHBondContact OE2-CG1 3.36Å; E64-K174 WeakPolarHBondContact O-CE 3.39Å; E64-K174 IonicContact OE1-NZ 2.81Å; E64-K174 WeakPolarHBondContact OE2-CE 3.47Å; E64-K174 IonicContact OE2-NZ 3.49Å; E64-K174 PolarHBondContact OE2-NZ 2.76Å
65V95.8Very high89.7Confident0 Ų061.5 Ų61.50%031%0.31CS..Hα-helixtrans-128.9-16.7-178.5-67.60000114.3I62 E63 W67 I68 L76 L79 L82 V83 F173I62-V65 HydrophobicContact CD1-CG2 3.96Å; I62-V65 WeakPolarHBondContact O-CG2 3.49Å; I62-V65 PolarHBondContact O-N 3.47Å; E63-V65 PolarHBondContact O-N 3Å; V65-W67 PolarHBondContact O-N 2.85Å; V65-I68 HydrophobicContact CB-CD1 4.21Å; V65-I68 HydrophobicContact CG1-CD1 4.23Å; V65-I68 WeakPolarHBondContact O-CB 3.31Å; V65-I68 WeakPolarHBondContact O-CG1 3.4Å; V65-I68 PolarHBondContact O-N 3.42Å; V65-L76 HydrophobicContact CG2-CD1 3.97Å; V65-L79 HydrophobicContact CB-CB 3.87Å; V65-L79 HydrophobicContact CB-CD1 4.25Å; V65-L79 HydrophobicContact CG1-CB 4.27Å; V65-L79 HydrophobicContact CG2-CB 3.96Å; V65-L82 HydrophobicContact CG1-CB 4.13Å; V65-L82 HydrophobicContact CG1-CD1 4.21Å; V65-V83 HydrophobicContact CG1-CG1 3.62Å; V65-F173 HydrophobicContact CG1-CE2 4.09Å; V65-F173 HydrophobicContact CG1-CZ 3.9Å
66A94.6Very high89.7Confident43 Ų4363.3 Ų63.336%0.35532%0.32SS..Hα-helixtrans-61-26.7-176.700000114I62 I68 L76I62-A66 WeakPolarHBondContact O-CB 3.47Å; I62-A66 PolarHBondContact O-N 3.41Å; A66-I68 VanDerWaalsContact C-N 3.25Å; A66-I68 PolarHBondContact O-N 2.97Å; A66-L76 HydrophobicContact CB-CD1 4.15Å; A66-L76 HydrophobicContact CB-CD2 4.38Å
67W95.9Very high89.7Confident94 Ų9467.6 Ų67.636%0.35634%0.339SS..THydrogen-bonded Turntrans-72.5-13.9176.766.3-86.5000113.8E64 V65 P69 K174 V177 L181E64-W67 PolarHBondContact O-NE1 2.71Å; V65-W67 PolarHBondContact O-N 2.85Å; W67-P69 WeakPolarHBondContact O-CD 3.46Å; W67-K174 HydrophobicContact CZ2-CB 4.22Å; W67-K174 HydrophobicContact CZ2-CG 3.87Å; W67-V177 HydrophobicContact CH2-CB 3.91Å; W67-V177 HydrophobicContact CH2-CG1 3.49Å; W67-V177 VanDerWaalsContact CH2-CG1 3.49Å; W67-V177 HydrophobicContact CZ2-CB 4.49Å; W67-V177 HydrophobicContact CZ2-CG1 4.23Å; W67-V177 HydrophobicContact CZ3-CG1 4Å; W67-L181 HydrophobicContact CE3-CD1 4.44Å; W67-L181 HydrophobicContact CH2-CD1 4.48Å; W67-L181 HydrophobicContact CZ3-CD1 3.71Å
68I97.2Very high90Very high8 Ų864 Ų644%0.04132%0.322CS..SBendtrans-83118.3-174.1-52.3172.4000110V65 A66 N70 L79 F173 V177 L187V65-I68 HydrophobicContact CB-CD1 4.21Å; V65-I68 HydrophobicContact CG1-CD1 4.23Å; V65-I68 WeakPolarHBondContact O-CB 3.31Å; V65-I68 WeakPolarHBondContact O-CG1 3.4Å; V65-I68 PolarHBondContact O-N 3.42Å; A66-I68 VanDerWaalsContact C-N 3.25Å; A66-I68 PolarHBondContact O-N 2.97Å; I68-N70 PolarHBondContact O-N 3.36Å; I68-L79 HydrophobicContact CB-CD1 4.2Å; I68-F173 HydrophobicContact CD1-CE2 4.17Å; I68-V177 HydrophobicContact CD1-CG1 4.23Å; I68-V177 HydrophobicContact CG1-CG1 4.09Å; I68-V177 HydrophobicContact CG2-CG1 3.76Å; I68-L187 HydrophobicContact CB-CD1 4.47Å; I68-L187 HydrophobicContact CG2-CD1 3.41Å; I68-L187 VanDerWaalsContact CG2-CD1 3.41Å; I68-L187 HydrophobicContact CG2-CG 3.87Å
69P95.9Very high90.8Very high57 Ų5753.9 Ų53.937%0.3728%0.283SS..  trans-62.8123.8175.9-2032.9000110.9W67 L181 A186 L187W67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-L181 HydrophobicContact CG-CD2 4.26Å; P69-A186 HydrophobicContact CB-CB 3.82Å; P69-A186 CarbonylContact O-C 3.59Å; P69-A186 WeakPolarHBondContact O-CA 3.28Å; P69-A186 WeakPolarHBondContact O-CB 3.33Å; P69-L187 PolarHBondContact O-N 2.98Å
70N94.5Very high91.7Very high39 Ų3951 Ų5121%0.20926%0.262CS..BIsolated β-bridgetrans-132.8127.4-177.6-176.219.7000111I68 H72 G75 L79 L187I68-N70 PolarHBondContact O-N 3.36Å; N70-H72 VanDerWaalsContact OD1-CB 3.24Å; N70-H72 WeakPolarHBondContact OD1-CB 3.39Å; N70-H72 PolarHBondContact OD1-N 3.07Å; N70-G75 PolarHBondContact ND2-O 2.86Å; N70-L79 HydrophobicContact CB-CD1 4.36Å; N70-L187 HydrophobicContact CB-CB 4.4Å
71R92.8Very high92.3Very high163 Ų16350.1 Ų50.162%0.61525%0.248SC*.  trans-99.9-5175.8-64.8-173-172.2160.7-3.1113.5A186 L187R71-A186 HydrophobicContact CG-CB 3.83Å; R71-L187 PolarHBondContact N-O 3.47Å
72H90.1Very high92.7Very high42 Ų4249.6 Ų49.619%0.19425%0.245CC..SBendtrans-66.8143179.2-167.7-107.2000111.1N70 S74 G75 Q188 A190N70-H72 VanDerWaalsContact OD1-CB 3.24Å; N70-H72 WeakPolarHBondContact OD1-CB 3.39Å; N70-H72 PolarHBondContact OD1-N 3.07Å; H72-S74 VanDerWaalsContact ND1-CB 3.35Å; H72-S74 WeakPolarHBondContact ND1-CB 3.47Å; H72-S74 PolarHBondContact ND1-N 3.22Å; H72-S74 PolarHBondContact ND1-OG 2.86Å; H72-S74 PolarHBondContact O-N 2.82Å; H72-S74 VanDerWaalsContact O-N 3.07Å; H72-G75 PolarHBondContact O-N 2.8Å; H72-Q188 WeakPolarHBondContact CB-O 3.43Å; H72-Q188 PolarHBondContact CD2-O 2.83Å; H72-Q188 VanDerWaalsContact CD2-O 3.3Å; H72-A190 HydrophobicContact CB-CB 3.94Å
73Y85.7Confident93Very high117 Ų11749 Ų4946%0.45924%0.242SC..THydrogen-bonded Turntrans-62.1-19.9-176.163.5-95.3000113.8G75 Y241 K243Y73-G75 PolarHBondContact O-N 2.84Å; Y73-Y241 AromaticContact CD1-CD2 3.96Å; Y73-Y241 HydrophobicContact CD1-CD2 3.96Å; Y73-Y241 HydrophobicContact CD2-CD2 4.11Å; Y73-Y241 HydrophobicContact CD2-CE2 4.39Å; Y73-Y241 HydrophobicContact CE1-CD2 4.33Å; Y73-Y241 HydrophobicContact CE2-CD2 4.48Å; Y73-Y241 AromaticContact CG-CD2 3.85Å; Y73-Y241 HydrophobicContact CG-CD2 3.85Å; Y73-Y241 HydrophobicContact CG-CE2 4.21Å; Y73-K243 PolarHBondContact OH-NZ 2.87Å; Y73-K243 VanDerWaalsContact OH-NZ 3.08Å
74S86.7Confident93.2Very high33 Ų3343.4 Ų43.423%0.23122%0.216CC..THydrogen-bonded Turntrans-69.4-14.717466.70000113.5H72 F77 G78H72-S74 VanDerWaalsContact ND1-CB 3.35Å; H72-S74 WeakPolarHBondContact ND1-CB 3.47Å; H72-S74 PolarHBondContact ND1-N 3.22Å; H72-S74 PolarHBondContact ND1-OG 2.86Å; H72-S74 PolarHBondContact O-N 2.82Å; H72-S74 VanDerWaalsContact O-N 3.07Å; S74-F77 PolarHBondContact O-N 2.9Å; S74-G78 WeakPolarHBondContact OG-CA 3.43Å
75G90.1Very high93.3Very high30 Ų3040.8 Ų40.831%0.30920%0.204SC..G310 helixtrans53.1-142.7-174.400000112.6N70 H72 Y73 F77 G78N70-G75 PolarHBondContact ND2-O 2.86Å; H72-G75 PolarHBondContact O-N 2.8Å; Y73-G75 PolarHBondContact O-N 2.84Å; G75-F77 VanDerWaalsContact C-N 3.28Å; G75-F77 PolarHBondContact O-N 3.36Å; G75-G78 PolarHBondContact O-N 3.1Å
76L89.9Confident93.2Very high68 Ų6845.3 Ų45.336%0.35623%0.225SC..G310 helixtrans-61.8-32.3-178.1-17654.2000113.6I62 V65 A66 G78 L79I62-L76 HydrophobicContact CD1-CD1 3.92Å; I62-L76 HydrophobicContact CD1-CD2 4.11Å; I62-L76 HydrophobicContact CD1-CG 3.75Å; I62-L76 HydrophobicContact CG1-CD1 4Å; I62-L76 HydrophobicContact CG1-CD2 3.55Å; I62-L76 HydrophobicContact CG1-CG 3.78Å; V65-L76 HydrophobicContact CG2-CD1 3.97Å; A66-L76 HydrophobicContact CB-CD1 4.15Å; A66-L76 HydrophobicContact CB-CD2 4.38Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.43Å; L76-L79 HydrophobicContact CD1-CD1 4.38Å; L76-L79 PolarHBondContact O-N 3.49Å
77F88Confident93.3Very high108 Ų10844.2 Ų44.247%0.47421%0.213SC..G310 helixtrans-59.5-38178.8173.1-99.2000112.1Y56 S74 G75 L79 T80Y56-F77 HydrophobicContact CE1-CD2 4.2Å; S74-F77 PolarHBondContact O-N 2.9Å; G75-F77 VanDerWaalsContact C-N 3.28Å; G75-F77 PolarHBondContact O-N 3.36Å; F77-L79 PolarHBondContact O-N 2.92Å; F77-L79 VanDerWaalsContact O-N 3.16Å; F77-T80 WeakPolarHBondContact O-CB 3.38Å; F77-T80 WeakPolarHBondContact O-CG2 3.35Å; F77-T80 PolarHBondContact O-N 3.07Å; F77-T80 VanDerWaalsContact O-N 3.09Å; F77-T80 PolarHBondContact O-OG1 2.86Å
78G89.9Confident93.3Very high7 Ų740.1 Ų40.17%0.07220%0.198CC..G310 helixtrans-60.5-24.9177.500000113.7S74 G75 L76 D191S74-G78 WeakPolarHBondContact OG-CA 3.43Å; G75-G78 PolarHBondContact O-N 3.1Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.43Å; G78-D191 VanDerWaalsContact O-CB 3.26Å; G78-D191 WeakPolarHBondContact O-CB 3.45Å; G78-D191 VanDerWaalsContact O-CG 3.24Å; G78-D191 VanDerWaalsContact O-OD1 3.05Å
79L95.5Very high93.2Very high1 Ų141.9 Ų41.91%0.00521%0.21CC..G310 helixtrans-84.9-10.2-180-55.8177.7000113.2V65 I68 N70 L76 F77 K81 L82 L187 A190V65-L79 HydrophobicContact CB-CB 3.87Å; V65-L79 HydrophobicContact CB-CD1 4.25Å; V65-L79 HydrophobicContact CG1-CB 4.27Å; V65-L79 HydrophobicContact CG2-CB 3.96Å; I68-L79 HydrophobicContact CB-CD1 4.2Å; N70-L79 HydrophobicContact CB-CD1 4.36Å; L76-L79 HydrophobicContact CD1-CD1 4.38Å; L76-L79 PolarHBondContact O-N 3.49Å; F77-L79 PolarHBondContact O-N 2.92Å; F77-L79 VanDerWaalsContact O-N 3.16Å; L79-K81 PolarHBondContact O-N 3.22Å; L79-K81 VanDerWaalsContact O-N 3.16Å; L79-L82 HydrophobicContact CB-CD1 4.4Å; L79-L82 HydrophobicContact CD2-CD1 4.24Å; L79-L82 VanDerWaalsContact O-CB 3.3Å; L79-L82 WeakPolarHBondContact O-CB 3.03Å; L79-L82 WeakPolarHBondContact O-CG 2.8Å; L79-L82 PolarHBondContact O-N 3.35Å; L79-L187 HydrophobicContact CD2-CD1 3.53Å; L79-A190 HydrophobicContact CD2-CB 4Å
80T93.8Very high93.2Very high8 Ų850.1 Ų50.15%0.04923%0.234CC..G310 helixtrans-63.5-25-174.158.50000113.4Y56 I62 F77 L82 V83Y56-T80 HydrophobicContact CD1-CG2 3.89Å; Y56-T80 HydrophobicContact CE1-CG2 4.06Å; Y56-T80 HydrophobicContact CG-CG2 4.16Å; I62-T80 HydrophobicContact CD1-CG2 3.92Å; F77-T80 WeakPolarHBondContact O-CB 3.38Å; F77-T80 WeakPolarHBondContact O-CG2 3.35Å; F77-T80 PolarHBondContact O-N 3.07Å; F77-T80 VanDerWaalsContact O-N 3.09Å; F77-T80 PolarHBondContact O-OG1 2.86Å; T80-L82 PolarHBondContact O-N 3.37Å; T80-V83 VanDerWaalsContact O-CG2 3.24Å; T80-V83 WeakPolarHBondContact O-CG2 3.13Å; T80-V83 PolarHBondContact O-N 3.36Å; T80-V83 VanDerWaalsContact O-N 3.1Å
81K95.7Very high93.3Very high21 Ų2155 Ų559%0.09126%0.26CS..G310 helixtrans-58.6-30.6174-59.5-168.8-151.9162.60112.5L79 V83 V97 D99 T154 I157 D191L79-K81 PolarHBondContact O-N 3.22Å; L79-K81 VanDerWaalsContact O-N 3.16Å; K81-V83 PolarHBondContact O-N 2.78Å; K81-V97 HydrophobicContact CD-CG1 4.13Å; K81-V97 HydrophobicContact CG-CG1 4.43Å; K81-D99 WeakPolarHBondContact CE-OD1 3.18Å; K81-D99 IonicContact NZ-OD1 3.03Å; K81-D99 PolarHBondContact NZ-OD1 2.87Å; K81-D99 IonicContact NZ-OD2 3.08Å; K81-D99 PolarHBondContact NZ-OD2 3.17Å; K81-T154 PolarHBondContact NZ-O 3.34Å; K81-T154 PolarHBondContact NZ-OG1 3.08Å; K81-I157 HydrophobicContact CD-CD1 4.18Å; K81-D191 HydrophobicContact CB-CB 4.41Å; K81-D191 VanDerWaalsContact CD-OD2 3.27Å; K81-D191 WeakPolarHBondContact CD-OD2 3.29Å; K81-D191 IonicContact NZ-OD2 3.91Å; K81-D191 PolarHBondContact NZ-OD2 3.25Å
82L97.6Very high93.6Very high1 Ų148.2 Ų48.21%0.00524%0.235CC..G310 helixtrans-70.2-16.5-179.8-57.6173.3000112.9V65 L79 T80 W169 F173 D191 V194 L195V65-L82 HydrophobicContact CG1-CB 4.13Å; V65-L82 HydrophobicContact CG1-CD1 4.21Å; L79-L82 HydrophobicContact CB-CD1 4.4Å; L79-L82 HydrophobicContact CD2-CD1 4.24Å; L79-L82 VanDerWaalsContact O-CB 3.3Å; L79-L82 WeakPolarHBondContact O-CB 3.03Å; L79-L82 WeakPolarHBondContact O-CG 2.8Å; L79-L82 PolarHBondContact O-N 3.35Å; T80-L82 PolarHBondContact O-N 3.37Å; L82-W169 HydrophobicContact CD2-CZ2 4.1Å; L82-W169 PolarHBondContact O-NE1 3.47Å; L82-F173 HydrophobicContact CB-CE1 4.24Å; L82-F173 HydrophobicContact CB-CZ 4.37Å; L82-D191 HydrophobicContact CD1-CB 4.49Å; L82-D191 HydrophobicContact CD2-CB 4.15Å; L82-D191 HydrophobicContact CG-CB 4.05Å; L82-V194 HydrophobicContact CD1-CB 3.86Å; L82-V194 HydrophobicContact CD1-CG1 3.86Å; L82-V194 HydrophobicContact CD1-CG2 3.82Å; L82-V194 HydrophobicContact CD2-CB 3.96Å; L82-V194 HydrophobicContact CD2-CG1 3.84Å; L82-L195 HydrophobicContact CD2-CG 4.02Å
83V96.4Very high94Very high0 Ų049.9 Ų49.90%025%0.246CC..G310 helixtrans-121.517.9-173.9-65.50000112.5T61 E64 V65 T80 K81 T85 E86 I87 F173T61-V83 HydrophobicContact CG2-CB 3.65Å; T61-V83 HydrophobicContact CG2-CG1 4.4Å; T61-V83 HydrophobicContact CG2-CG2 3.8Å; E64-V83 HydrophobicContact CB-CG1 3.69Å; V65-V83 HydrophobicContact CG1-CG1 3.62Å; T80-V83 VanDerWaalsContact O-CG2 3.24Å; T80-V83 WeakPolarHBondContact O-CG2 3.13Å; T80-V83 PolarHBondContact O-N 3.36Å; T80-V83 VanDerWaalsContact O-N 3.1Å; K81-V83 PolarHBondContact O-N 2.78Å; V83-T85 PolarHBondContact O-N 3.1Å; V83-E86 WeakPolarHBondContact O-CB 3.23Å; V83-E86 PolarHBondContact O-N 2.98Å; V83-I87 HydrophobicContact CG2-CD1 3.95Å; V83-I87 HydrophobicContact CG2-CG1 4.43Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.21Å; V83-F173 HydrophobicContact CG1-CE1 4.41Å; V83-F173 HydrophobicContact CG1-CZ 4.2Å
84L96.7Very high94.6Very high12 Ų1247.1 Ų47.16%0.06324%0.236CC..Hα-helixtrans-59.4-26.3174.7-69.5174.5000112.8V27 E86 L88 I95 V97 M159 L161V27-L84 HydrophobicContact CG2-CD2 3.91Å; L84-E86 PolarHBondContact O-N 3.43Å; L84-L88 HydrophobicContact CB-CD1 4.27Å; L84-L88 HydrophobicContact CD2-CD1 4.38Å; L84-L88 HydrophobicContact CD2-CG 4.48Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.21Å; L84-I95 HydrophobicContact CB-CD1 4.48Å; L84-I95 HydrophobicContact CD1-CD1 3.9Å; L84-V97 HydrophobicContact CD1-CG1 4.19Å; L84-V97 HydrophobicContact CD1-CG2 3.68Å; L84-M159 HydrophobicContact CD1-CE 4.45Å; L84-M159 HydrophobicContact CD1-SD 4.45Å; L84-L161 HydrophobicContact CB-CD2 4.34Å
85T96.5Very high95.1Very high5 Ų546.4 Ų46.43%0.03123%0.23CC..Hα-helixtrans-59.9-32.6172.955.50000112.7V83 L161 L164 R165 W169V83-T85 PolarHBondContact O-N 3.1Å; T85-L161 HydrophobicContact CG2-CD2 4.13Å; T85-L164 HydrophobicContact CG2-CB 3.82Å; T85-L164 HydrophobicContact CG2-CD1 4.46Å; T85-R165 HydrophobicContact CG2-CG 4.17Å; T85-R165 PolarHBondContact O-NE 2.93Å; T85-R165 PolarHBondContact O-NH2 3.18Å; T85-W169 HydrophobicContact CG2-CG 4.49Å
86E94.9Very high95.5Very high95 Ų9546.6 Ų46.644%0.44422%0.224SC..Hα-helixtrans-94.1-32.2-177.6-54.5-42.7117.500112.4T61 V83 L84 V170T61-E86 HydrophobicContact CG2-CB 3.5Å; T61-E86 HydrophobicContact CG2-CG 4.33Å; V83-E86 WeakPolarHBondContact O-CB 3.23Å; V83-E86 PolarHBondContact O-N 2.98Å; L84-E86 PolarHBondContact O-N 3.43Å; E86-V170 HydrophobicContact CG-CG2 3.82Å
87I94.9Very high95.9Very high20 Ų2044.2 Ų44.210%0.10321%0.212CC..Hα-helixtrans-74.5-44.4178.5-62.8174000111.1V27 Y54 T61 V83V27-I87 HydrophobicContact CG1-CD1 3.98Å; V27-I87 HydrophobicContact CG1-CG2 4.44Å; V27-I87 HydrophobicContact CG2-CG2 4.06Å; Y54-I87 HydrophobicContact CG-CG2 4.15Å; T61-I87 HydrophobicContact CG2-CG1 3.8Å; V83-I87 HydrophobicContact CG2-CD1 3.95Å; V83-I87 HydrophobicContact CG2-CG1 4.43Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.21Å
88L96Very high96.4Very high8 Ų841 Ų414%0.04220%0.199CC..SBendtrans-85.9145.4-170.8-63.4177.9000112.1H25 Y54 L84 I92 I95 L161 R165H25-L88 HydrophobicContact CB-CD2 3.97Å; Y54-L88 HydrophobicContact CD2-CD2 3.9Å; Y54-L88 HydrophobicContact CE1-CD2 4.49Å; Y54-L88 HydrophobicContact CE2-CD2 3.63Å; Y54-L88 HydrophobicContact CG-CD2 4.44Å; L84-L88 HydrophobicContact CB-CD1 4.27Å; L84-L88 HydrophobicContact CD2-CD1 4.38Å; L84-L88 HydrophobicContact CD2-CG 4.48Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 WeakPolarHBondContact O-CG 3.39Å; L84-L88 PolarHBondContact O-N 3.21Å; L88-I92 HydrophobicContact CB-CD1 4.35Å; L88-I95 HydrophobicContact CD1-CD1 3.67Å; L88-I95 HydrophobicContact CD1-CG2 4.2Å; L88-L161 HydrophobicContact CB-CD1 4.34Å; L88-L161 HydrophobicContact CD1-CD1 3.83Å; L88-R165 PolarHBondContact O-NH2 3.41Å
89P95.9Very high96.6Very high45 Ų4542.3 Ų42.329%0.29221%0.205SC..  trans-51.4146177.8-29.734.6000114.5Y54 N91 I92 R165Y54-P89 HydrophobicContact CE1-CG 4.04Å; Y54-P89 WeakPolarHBondContact OH-CD 3.41Å; P89-N91 WeakPolarHBondContact CB-OD1 3.29Å; P89-N91 PolarHBondContact O-N 3.04Å; P89-I92 HydrophobicContact CB-CD1 4.24Å; P89-I92 HydrophobicContact CB-CG1 4.35Å; P89-I92 HydrophobicContact CG-CD1 4.18Å; P89-I92 PolarHBondContact O-N 2.76Å; P89-I92 VanDerWaalsContact O-N 3.16Å; P89-R165 PolarHBondContact O-NH2 2.93Å
90R95.7Very high96.4Very high230 Ų23044.1 Ų44.187%0.86822%0.217SC*.THydrogen-bonded Turntrans-64.6-23.1-178-70-171.7177.1-168.1-0.9114.3I92R90-I92 PolarHBondContact O-N 3.06Å
91N97.1Very high96.2Very high141 Ų14144.3 Ų44.375%0.75422%0.218SC*.THydrogen-bonded Turntrans-79.72178.169-58.4000113.7P89P89-N91 WeakPolarHBondContact CB-OD1 3.29Å; P89-N91 PolarHBondContact O-N 3.04Å
92I98.1Very high96.1Very high20 Ų2043.5 Ų43.510%0.10322%0.215CC..  trans-98113.7172.8-55174000107.8H25 L88 P89 R90 I95 L161 R165H25-I92 WeakPolarHBondContact CE1-CD1 3.36Å; L88-I92 HydrophobicContact CB-CD1 4.35Å; P89-I92 HydrophobicContact CB-CD1 4.24Å; P89-I92 HydrophobicContact CB-CG1 4.35Å; P89-I92 HydrophobicContact CG-CD1 4.18Å; P89-I92 PolarHBondContact O-N 2.76Å; P89-I92 VanDerWaalsContact O-N 3.16Å; R90-I92 PolarHBondContact O-N 3.06Å; I92-I95 HydrophobicContact CG2-CG2 3.59Å; I92-L161 HydrophobicContact CB-CD1 4.34Å; I92-L161 HydrophobicContact CG2-CD1 3.9Å; I92-R165 PolarHBondContact O-NH1 3.08Å
93D98.1Very high96.1Very high78 Ų7843.4 Ų43.442%0.41721%0.214SC..  trans-84.3-37.9-174.564.3-31.2000112.8K160 L161 E162D93-K160 CarbonylContact O-C 3.45Å; D93-L161 WeakPolarHBondContact O-CA 3.16Å; D93-L161 WeakPolarHBondContact O-CB 3.42Å; D93-L161 PolarHBondContact O-N 3.11Å; D93-E162 HydrophobicContact CB-CB 4.35Å; D93-E162 PolarHBondContact O-N 3.4Å
94K98.4Very high96.1Very high59 Ų5943.4 Ų43.426%0.25721%0.214SC..  trans-152.7156.4-179.168.9-167.2176.5-1770112.2W112 F115 M159K94-W112 HydrophobicContact CD-CZ2 4.27Å; K94-W112 HydrophobicContact CG-CH2 3.98Å; K94-W112 HydrophobicContact CG-CZ2 3.91Å; K94-F115 HydrophobicContact CB-CE1 4.07Å; K94-F115 HydrophobicContact CB-CE2 4.23Å; K94-F115 HydrophobicContact CB-CZ 3.8Å; K94-F115 HydrophobicContact CD-CB 4.48Å; K94-F115 HydrophobicContact CD-CD1 4.2Å; K94-F115 HydrophobicContact CD-CD2 3.78Å; K94-F115 HydrophobicContact CD-CE1 4.32Å; K94-F115 HydrophobicContact CD-CE2 3.9Å; K94-F115 HydrophobicContact CD-CG 3.93Å; K94-F115 HydrophobicContact CD-CZ 4.17Å; K94-F115 HydrophobicContact CG-CD2 4.39Å; K94-F115 HydrophobicContact CG-CE2 4.01Å; K94-F115 HydrophobicContact CG-CZ 4.11Å; K94-M159 CarbonylContact C-O 3.48Å; K94-M159 WeakPolarHBondContact CA-O 3.5Å; K94-M159 WeakPolarHBondContact CB-O 3.24Å
95I98.6Very high96.1Very high17 Ų1744.1 Ų44.19%0.08722%0.218CC..EExtended strand (participates in β ladder)trans-143.9158.7-178.360.4174.6000111.4L84 L88 I92 V97 F115 M159 L161L84-I95 HydrophobicContact CB-CD1 4.48Å; L84-I95 HydrophobicContact CD1-CD1 3.9Å; L88-I95 HydrophobicContact CD1-CD1 3.67Å; L88-I95 HydrophobicContact CD1-CG2 4.2Å; I92-I95 HydrophobicContact CG2-CG2 3.59Å; I95-V97 HydrophobicContact CD1-CG2 3.53Å; I95-V97 HydrophobicContact CG1-CG2 3.91Å; I95-F115 WeakPolarHBondContact O-CZ 3.16Å; I95-M159 HydrophobicContact CD1-SD 4.43Å; I95-M159 HydrophobicContact CG1-CB 3.9Å; I95-M159 PolarHBondContact N-O 2.83Å; I95-M159 PolarHBondContact O-N 2.83Å; I95-L161 HydrophobicContact CD1-CD1 4.03Å; I95-L161 HydrophobicContact CD1-CD2 3.97Å; I95-L161 HydrophobicContact CD1-CG 4.17Å; I95-L161 HydrophobicContact CG1-CD1 4.11Å; I95-L161 HydrophobicContact CG1-CD2 4.25Å; I95-L161 HydrophobicContact CG1-CG 4.04Å; I95-L161 HydrophobicContact CG2-CD1 3.74Å; I95-L161 HydrophobicContact CG2-CG 4.47Å
96L98.7Very high96.1Very high35 Ų3544.7 Ų44.718%0.18322%0.222CC..EExtended strand (participates in β ladder)trans-103.6113.4162.5170.162.1000107.1L98 L108 L111 W112 V156 I157 L158L96-L98 HydrophobicContact CD1-CD2 3.99Å; L96-L98 HydrophobicContact CD2-CD1 4.36Å; L96-L98 HydrophobicContact CD2-CD2 4.26Å; L96-L98 HydrophobicContact CD2-CG 4.42Å; L96-L98 HydrophobicContact CG-CD1 4.48Å; L96-L98 HydrophobicContact CG-CD2 4Å; L96-L98 HydrophobicContact CG-CG 4.06Å; L96-L108 HydrophobicContact CD2-CB 4.4Å; L96-L108 HydrophobicContact CD2-CD1 3.86Å; L96-L108 HydrophobicContact CD2-CD2 4.27Å; L96-L108 HydrophobicContact CD2-CG 4.41Å; L96-L111 HydrophobicContact CD1-CD2 3.77Å; L96-L111 HydrophobicContact CD1-CG 4.39Å; L96-L111 HydrophobicContact CD2-CD2 3.94Å; L96-W112 HydrophobicContact CB-CE3 4.1Å; L96-W112 HydrophobicContact CB-CZ3 4Å; L96-V156 HydrophobicContact CD1-CG1 3.92Å; L96-I157 CarbonylContact C-O 3.59Å; L96-I157 WeakPolarHBondContact CA-O 3.06Å; L96-L158 HydrophobicContact CB-CD2 4.23Å; L96-L158 HydrophobicContact CD1-CD2 3.8Å
97V98.4Very high96.2Very high18 Ų1841.8 Ų41.811%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-89.2130.6175.6-170.90000108.4K81 L84 I95 V156 I157 M159K81-V97 HydrophobicContact CD-CG1 4.13Å; K81-V97 HydrophobicContact CG-CG1 4.43Å; L84-V97 HydrophobicContact CD1-CG1 4.19Å; L84-V97 HydrophobicContact CD1-CG2 3.68Å; I95-V97 HydrophobicContact CD1-CG2 3.53Å; I95-V97 HydrophobicContact CG1-CG2 3.91Å; V97-V156 WeakPolarHBondContact O-CA 3.32Å; V97-I157 HydrophobicContact CB-CB 3.98Å; V97-I157 HydrophobicContact CB-CD1 4.38Å; V97-I157 HydrophobicContact CB-CG1 4.19Å; V97-I157 HydrophobicContact CG2-CB 4.31Å; V97-I157 PolarHBondContact N-O 3.43Å; V97-I157 PolarHBondContact O-N 3.23Å; V97-M159 HydrophobicContact CG2-CB 4.45Å; V97-M159 HydrophobicContact CG2-CE 4Å
98L97.7Very high96.3Very high39 Ų3942 Ų4220%0.20421%0.211CC..EExtended strand (participates in β ladder)trans-129.2133178.6-61.5174.8000109L10 I14 L96 V102 L108 G155 V156 I235L10-L98 HydrophobicContact CD1-CD1 4.35Å; L10-L98 HydrophobicContact CD2-CB 4.22Å; I14-L98 HydrophobicContact CD1-CD1 3.75Å; L96-L98 HydrophobicContact CD1-CD2 3.99Å; L96-L98 HydrophobicContact CD2-CD1 4.36Å; L96-L98 HydrophobicContact CD2-CD2 4.26Å; L96-L98 HydrophobicContact CD2-CG 4.42Å; L96-L98 HydrophobicContact CG-CD1 4.48Å; L96-L98 HydrophobicContact CG-CD2 4Å; L96-L98 HydrophobicContact CG-CG 4.06Å; L98-V102 HydrophobicContact CB-CG2 4.07Å; L98-V102 HydrophobicContact CD2-CG2 4.31Å; L98-L108 HydrophobicContact CD1-CD1 4.21Å; L98-G155 CarbonylContact C-O 3.58Å; L98-G155 WeakPolarHBondContact CA-O 3.29Å; L98-V156 HydrophobicContact CD2-CB 4.32Å; L98-V156 HydrophobicContact CD2-CG1 3.95Å; L98-V156 HydrophobicContact CD2-CG2 3.93Å; L98-I235 HydrophobicContact CD2-CD1 4.31Å
99D94.1Very high96.3Very high36 Ų3643 Ų4319%0.19322%0.22CC..  trans-68148.6167-80.4-19.2000110.8L10 K81 D101 V102 G155 H237L10-D99 WeakPolarHBondContact CD2-O 3.45Å; K81-D99 WeakPolarHBondContact CE-OD1 3.18Å; K81-D99 IonicContact NZ-OD1 3.03Å; K81-D99 PolarHBondContact NZ-OD1 2.87Å; K81-D99 IonicContact NZ-OD2 3.08Å; K81-D99 PolarHBondContact NZ-OD2 3.17Å; D99-D101 WeakPolarHBondContact CB-OD1 3.18Å; D99-D101 PolarHBondContact O-N 3.3Å; D99-D101 VanDerWaalsContact O-N 3.1Å; D99-V102 HydrophobicContact CB-CG1 4.16Å; D99-V102 WeakPolarHBondContact O-CG2 3.43Å; D99-V102 PolarHBondContact O-N 3.19Å; D99-G155 PolarHBondContact N-O 2.63Å; D99-G155 VanDerWaalsContact OD2-CA 3.31Å; D99-G155 WeakPolarHBondContact OD2-CA 3.39Å; D99-H237 IonicContact OD2-CE1 3.61Å; D99-H237 IonicContact OD2-NE2 3.26Å
100S91.3Very high96.3Very high39 Ų3945 Ų4527%0.27323%0.228SC..THydrogen-bonded Turntrans-65.8-14.2-17658.30000114.1R6R6-S100 CarbonylContact C-O 3.55Å; R6-S100 WeakPolarHBondContact CB-O 3.35Å
101D89.2Confident96.4Very high11 Ų1134.1 Ų34.16%0.05919%0.187CC..THydrogen-bonded Turntrans-104.714.9-177.355.96.7000113.4D99 H237 K243D99-D101 WeakPolarHBondContact CB-OD1 3.18Å; D99-D101 PolarHBondContact O-N 3.3Å; D99-D101 VanDerWaalsContact O-N 3.1Å; D101-H237 IonicContact OD1-CD2 3.92Å; D101-H237 PolarHBondContact OD1-CD2 3.39Å; D101-H237 IonicContact OD1-NE2 2.81Å; D101-H237 PolarHBondContact OD1-NE2 2.78Å; D101-K243 HydrophobicContact CB-CD 4.19Å; D101-K243 WeakPolarHBondContact OD2-CD 3.3Å; D101-K243 WeakPolarHBondContact OD2-CE 3.47Å; D101-K243 IonicContact OD2-NZ 2.86Å; D101-K243 PolarHBondContact OD2-NZ 3.28Å
102V94.9Very high96.5Very high4 Ų432.3 Ų32.32%0.02417%0.17CC..EExtended strand (participates in β ladder)trans-86.9158.2166.4-47.90000111.1L10 L98 D99 V156 I235 V236 H237L10-V102 HydrophobicContact CD1-CG2 3.53Å; L10-V102 HydrophobicContact CD2-CG2 4.18Å; L10-V102 HydrophobicContact CG-CG2 4.48Å; L98-V102 HydrophobicContact CB-CG2 4.07Å; L98-V102 HydrophobicContact CD2-CG2 4.31Å; D99-V102 HydrophobicContact CB-CG1 4.16Å; D99-V102 WeakPolarHBondContact O-CG2 3.43Å; D99-V102 PolarHBondContact O-N 3.19Å; V102-V156 HydrophobicContact CG1-CG2 4.35Å; V102-I235 HydrophobicContact CB-CG2 3.77Å; V102-I235 HydrophobicContact CG1-CG2 4.44Å; V102-I235 HydrophobicContact CG2-CG2 4.04Å; V102-V236 CarbonylContact C-O 3.54Å; V102-V236 WeakPolarHBondContact CA-O 3.4Å; V102-V236 WeakPolarHBondContact CB-O 3.17Å; V102-H237 HydrophobicContact CG1-CB 4.06Å
103L96.1Very high96.5Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-129.8126.2174.2-177.174.6000110.1T9 L105 I235 V236 W238 M257 Y261T9-L103 HydrophobicContact CG2-CD1 4.19Å; L103-L105 HydrophobicContact CD2-CD2 3.89Å; L103-L105 HydrophobicContact CG-CD2 4.08Å; L103-I235 CarbonylContact O-C 3.58Å; L103-I235 VanDerWaalsContact O-CA 3.31Å; L103-I235 WeakPolarHBondContact O-CA 3.41Å; L103-V236 HydrophobicContact CB-CB 4.37Å; L103-V236 PolarHBondContact N-O 3.48Å; L103-V236 PolarHBondContact O-N 2.99Å; L103-W238 HydrophobicContact CB-CH2 4.29Å; L103-W238 HydrophobicContact CB-CZ3 3.71Å; L103-W238 HydrophobicContact CD2-CH2 3.98Å; L103-W238 HydrophobicContact CD2-CZ3 4.23Å; L103-M257 HydrophobicContact CD2-CB 4.2Å; L103-Y261 HydrophobicContact CD1-CD2 3.49Å; L103-Y261 VanDerWaalsContact CD1-CD2 3.49Å; L103-Y261 HydrophobicContact CD1-CE2 4.15Å; L103-Y261 HydrophobicContact CD1-CG 3.83Å; L103-Y261 HydrophobicContact CD2-CD2 3.76Å; L103-Y261 HydrophobicContact CD2-CE2 4.02Å; L103-Y261 HydrophobicContact CG-CD2 3.95Å; L103-Y261 HydrophobicContact CG-CE2 4.2Å
104V97.6Very high96.5Very high0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-95.5124.2-175.6175.80000110.1L10 S13 I14 H17 T106 L108 I235L10-V104 HydrophobicContact CD1-CG2 3.95Å; S13-V104 WeakPolarHBondContact CB-O 3.39Å; S13-V104 PolarHBondContact OG-N 3.02Å; S13-V104 VanDerWaalsContact OG-N 3.08Å; I14-V104 HydrophobicContact CD1-CG2 4.39Å; I14-V104 HydrophobicContact CG1-CB 3.99Å; I14-V104 HydrophobicContact CG1-CG1 4.36Å; I14-V104 HydrophobicContact CG1-CG2 3.69Å; H17-V104 PolarHBondContact CD2-O 3.47Å; H17-V104 PolarHBondContact NE2-O 3.25Å; V104-T106 WeakPolarHBondContact CG1-O 3.37Å; V104-L108 HydrophobicContact CG1-CD1 4.36Å; V104-L108 HydrophobicContact CG1-CD2 3.71Å; V104-L108 HydrophobicContact CG1-CG 3.87Å; V104-L108 HydrophobicContact CG2-CD1 4.36Å; V104-L108 HydrophobicContact CG2-CD2 4.18Å; V104-I235 HydrophobicContact CG2-CD1 4.4Å; V104-I235 HydrophobicContact CG2-CG1 4.29Å
105L96.8Very high96.5Very high26 Ų2628.1 Ų28.114%0.13615%0.154CC..  trans-111.46.9-175.4-55.3-179.7000113.1H17 L103 V233 K234 V236 F254 M257 Y261H17-L105 PolarHBondContact CE1-O 3.38Å; H17-L105 VanDerWaalsContact NE2-C 3.32Å; H17-L105 WeakPolarHBondContact NE2-CA 3.21Å; L103-L105 HydrophobicContact CD2-CD2 3.89Å; L103-L105 HydrophobicContact CG-CD2 4.08Å; L105-V233 HydrophobicContact CD1-CG1 4.35Å; L105-K234 PolarHBondContact N-O 3.11Å; L105-V236 HydrophobicContact CD1-CG2 3.64Å; L105-V236 HydrophobicContact CG-CG2 4.33Å; L105-F254 HydrophobicContact CD1-CD1 4.28Å; L105-F254 HydrophobicContact CD1-CE1 4.1Å; L105-M257 HydrophobicContact CD2-CE 3.88Å; L105-Y261 HydrophobicContact CD2-CE2 3.64Å
106T96.2Very high96.5Very high18 Ų1835.6 Ų35.611%0.1119%0.188CC..SBendtrans-150.9169.2-175.6-164.20000111.1H17 V104 L108 K234H17-T106 VanDerWaalsContact CB-O 3.26Å; H17-T106 WeakPolarHBondContact CB-O 3.37Å; V104-T106 WeakPolarHBondContact CG1-O 3.37Å; T106-L108 PolarHBondContact O-N 3.31Å; T106-K234 HydrophobicContact CG2-CB 3.61Å; T106-K234 HydrophobicContact CG2-CD 3.73Å; T106-K234 HydrophobicContact CG2-CG 4.03Å; T106-K234 PolarHBondContact OG1-NZ 3.49Å
107D96.2Very high96.4Very high34 Ų3442 Ų4218%0.18221%0.21CC..  trans-65.5129.6168.5-167.1-13000110.9H17 S19 A109H17-D107 WeakPolarHBondContact O-CB 3.41Å; S19-D107 WeakPolarHBondContact CB-OD2 3.3Å; S19-D107 PolarHBondContact N-OD2 2.71Å; S19-D107 PolarHBondContact OG-OD2 2.85Å; D107-A109 PolarHBondContact O-N 2.95Å; D107-A109 WeakPolarHBondContact OD1-CB 3.26Å; D107-A109 PolarHBondContact OD1-N 3.29Å
108L97.2Very high96.4Very high25 Ų2542 Ų4213%0.13121%0.208CC..THydrogen-bonded Turntrans-77.2-7.1179-65.5179000113I14 L96 L98 V104 T106 D110 L111 W112 I235I14-L108 HydrophobicContact CD1-CD1 4.23Å; I14-L108 HydrophobicContact CG1-CD1 3.94Å; I14-L108 HydrophobicContact CG2-CD1 4.13Å; L96-L108 HydrophobicContact CD2-CB 4.4Å; L96-L108 HydrophobicContact CD2-CD1 3.86Å; L96-L108 HydrophobicContact CD2-CD2 4.27Å; L96-L108 HydrophobicContact CD2-CG 4.41Å; L98-L108 HydrophobicContact CD1-CD1 4.21Å; V104-L108 HydrophobicContact CG1-CD1 4.36Å; V104-L108 HydrophobicContact CG1-CD2 3.71Å; V104-L108 HydrophobicContact CG1-CG 3.87Å; V104-L108 HydrophobicContact CG2-CD1 4.36Å; V104-L108 HydrophobicContact CG2-CD2 4.18Å; T106-L108 PolarHBondContact O-N 3.31Å; L108-D110 PolarHBondContact O-N 3.13Å; L108-L111 HydrophobicContact CD2-CD2 4.24Å; L108-L111 PolarHBondContact O-N 3.28Å; L108-W112 WeakPolarHBondContact O-CB 3.28Å; L108-W112 PolarHBondContact O-N 3.13Å; L108-I235 HydrophobicContact CD2-CD1 3.83Å; L108-I235 HydrophobicContact CD2-CG1 4.42Å
109A96.5Very high96.4Very high29 Ų2943.6 Ų43.624%0.2422%0.217CC..Hα-helixtrans-55.5-39.3174.500000112.2D107 W112 S113D107-A109 PolarHBondContact O-N 2.95Å; D107-A109 WeakPolarHBondContact OD1-CB 3.26Å; D107-A109 PolarHBondContact OD1-N 3.29Å; A109-W112 PolarHBondContact O-N 3.42Å; A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.1Å
110D96.1Very high96.5Very high87 Ų8747.4 Ų47.447%0.46525%0.247SC..Hα-helixtrans-64.7-46.2177.7-72-19.2000111.5L108 S113L108-D110 PolarHBondContact O-N 3.13Å; D110-S113 WeakPolarHBondContact O-CB 3.44Å; D110-S113 PolarHBondContact O-N 2.71Å; D110-S113 PolarHBondContact O-OG 2.94Å
111L98.4Very high96.7Very high0 Ų048.2 Ų48.20%025%0.25CC..Hα-helixtrans-61.8-44.8175177.953.7000110.8L96 L108 S113 L114 V156 L158 L209 Y213 I235L96-L111 HydrophobicContact CD1-CD2 3.77Å; L96-L111 HydrophobicContact CD1-CG 4.39Å; L96-L111 HydrophobicContact CD2-CD2 3.94Å; L108-L111 HydrophobicContact CD2-CD2 4.24Å; L108-L111 PolarHBondContact O-N 3.28Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.36Å; L111-L114 HydrophobicContact CD1-CD1 4.08Å; L111-L114 WeakPolarHBondContact O-CB 3.29Å; L111-L114 PolarHBondContact O-N 3.45Å; L111-L114 VanDerWaalsContact O-N 3.17Å; L111-V156 HydrophobicContact CD2-CG1 3.91Å; L111-L158 HydrophobicContact CD1-CD1 4.1Å; L111-L158 HydrophobicContact CD1-CD2 4.4Å; L111-L158 HydrophobicContact CD1-CG 4.24Å; L111-L158 HydrophobicContact CG-CD2 4.2Å; L111-L158 WeakPolarHBondContact O-CD1 3.18Å; L111-L209 HydrophobicContact CD1-CD1 4.09Å; L111-L209 HydrophobicContact CD1-CD2 4.24Å; L111-Y213 HydrophobicContact CB-CD1 3.91Å; L111-Y213 HydrophobicContact CB-CE1 3.69Å; L111-Y213 HydrophobicContact CD1-CD1 3.96Å; L111-Y213 HydrophobicContact CD1-CD2 4.3Å; L111-Y213 HydrophobicContact CD1-CE1 4.34Å; L111-Y213 HydrophobicContact CD1-CG 3.94Å; L111-Y213 HydrophobicContact CD2-CD1 4.03Å; L111-Y213 HydrophobicContact CG-CD1 4.17Å; L111-Y213 HydrophobicContact CG-CE1 4.42Å; L111-I235 HydrophobicContact CD2-CD1 3.8Å
112W98.3Very high97.2Very high103 Ų10349 Ų4939%0.3925%0.253SS..Hα-helixtrans-61.2-35.8178.1-171.3-97.4000112.6K94 L96 L108 A109 L114 F115K94-W112 HydrophobicContact CD-CZ2 4.27Å; K94-W112 HydrophobicContact CG-CH2 3.98Å; K94-W112 HydrophobicContact CG-CZ2 3.91Å; L96-W112 HydrophobicContact CB-CE3 4.1Å; L96-W112 HydrophobicContact CB-CZ3 4Å; L108-W112 WeakPolarHBondContact O-CB 3.28Å; L108-W112 PolarHBondContact O-N 3.13Å; A109-W112 PolarHBondContact O-N 3.42Å; W112-L114 PolarHBondContact O-N 2.66Å; W112-F115 HydrophobicContact CD2-CD2 4.18Å; W112-F115 HydrophobicContact CD2-CE2 4.16Å; W112-F115 HydrophobicContact CE3-CD2 4.37Å; W112-F115 AromaticContact CE3-CE2 3.9Å; W112-F115 HydrophobicContact CE3-CE2 3.9Å; W112-F115 HydrophobicContact CH2-CE2 4.24Å; W112-F115 HydrophobicContact CZ2-CE2 4.48Å; W112-F115 AromaticContact CZ3-CE2 3.95Å; W112-F115 HydrophobicContact CZ3-CE2 3.95Å; W112-F115 WeakPolarHBondContact O-CD2 3.38Å; W112-F115 PolarHBondContact O-N 2.92Å
113S98Very high97.3Very high49 Ų4948.8 Ų48.834%0.34325%0.252SS..Hα-helixtrans-61.7-25.3178.381.70000113A109 D110 L111 F115 Q116A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.1Å; D110-S113 WeakPolarHBondContact O-CB 3.44Å; D110-S113 PolarHBondContact O-N 2.71Å; D110-S113 PolarHBondContact O-OG 2.94Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.36Å; S113-F115 PolarHBondContact O-N 2.99Å; S113-F115 VanDerWaalsContact O-N 3.12Å; S113-Q116 WeakPolarHBondContact O-CB 3.09Å; S113-Q116 WeakPolarHBondContact O-CG 3.3Å; S113-Q116 PolarHBondContact O-N 3.19Å
114L98.3Very high97.5Very high11 Ų1148.9 Ų48.96%0.05825%0.253CS..G310 helixtrans-64.2-18.6-179.3-62.3179.7000113.3L111 W112 Q116 R117 F118 L158 L209 Y213L111-L114 HydrophobicContact CD1-CD1 4.08Å; L111-L114 WeakPolarHBondContact O-CB 3.29Å; L111-L114 PolarHBondContact O-N 3.45Å; L111-L114 VanDerWaalsContact O-N 3.17Å; W112-L114 PolarHBondContact O-N 2.66Å; L114-Q116 PolarHBondContact O-N 3.39Å; L114-Q116 VanDerWaalsContact O-N 3.14Å; L114-R117 WeakPolarHBondContact O-CB 3.25Å; L114-R117 PolarHBondContact O-N 3.03Å; L114-F118 WeakPolarHBondContact O-CD1 3.48Å; L114-L158 HydrophobicContact CB-CD1 3.98Å; L114-L209 HydrophobicContact CB-CD2 4.43Å; L114-L209 HydrophobicContact CD1-CD2 3.66Å; L114-Y213 HydrophobicContact CD1-CE2 4.12Å
115F98.5Very high97.5Very high10 Ų1048.9 Ų48.94%0.04425%0.253CS..G310 helixtrans-54.3-30.4168.9-84.4-62000113K94 I95 W112 S113 R117 F118 L158 K160K94-F115 HydrophobicContact CB-CE1 4.07Å; K94-F115 HydrophobicContact CB-CE2 4.23Å; K94-F115 HydrophobicContact CB-CZ 3.8Å; K94-F115 HydrophobicContact CD-CB 4.48Å; K94-F115 HydrophobicContact CD-CD1 4.2Å; K94-F115 HydrophobicContact CD-CD2 3.78Å; K94-F115 HydrophobicContact CD-CE1 4.32Å; K94-F115 HydrophobicContact CD-CE2 3.9Å; K94-F115 HydrophobicContact CD-CG 3.93Å; K94-F115 HydrophobicContact CD-CZ 4.17Å; K94-F115 HydrophobicContact CG-CD2 4.39Å; K94-F115 HydrophobicContact CG-CE2 4.01Å; K94-F115 HydrophobicContact CG-CZ 4.11Å; I95-F115 WeakPolarHBondContact O-CZ 3.16Å; W112-F115 HydrophobicContact CD2-CD2 4.18Å; W112-F115 HydrophobicContact CD2-CE2 4.16Å; W112-F115 HydrophobicContact CE3-CD2 4.37Å; W112-F115 AromaticContact CE3-CE2 3.9Å; W112-F115 HydrophobicContact CE3-CE2 3.9Å; W112-F115 HydrophobicContact CH2-CE2 4.24Å; W112-F115 HydrophobicContact CZ2-CE2 4.48Å; W112-F115 AromaticContact CZ3-CE2 3.95Å; W112-F115 HydrophobicContact CZ3-CE2 3.95Å; W112-F115 WeakPolarHBondContact O-CD2 3.38Å; W112-F115 PolarHBondContact O-N 2.92Å; S113-F115 PolarHBondContact O-N 2.99Å; S113-F115 VanDerWaalsContact O-N 3.12Å; F115-R117 PolarHBondContact O-N 2.81Å; F115-F118 HydrophobicContact CD1-CD2 4.17Å; F115-F118 AromaticContact CD1-CE2 3.92Å; F115-F118 HydrophobicContact CD1-CE2 3.92Å; F115-F118 HydrophobicContact CD1-CZ 4.24Å; F115-F118 HydrophobicContact CE1-CE2 4.1Å; F115-F118 HydrophobicContact CE1-CZ 4.49Å; F115-F118 WeakPolarHBondContact O-CB 3.33Å; F115-F118 PolarHBondContact O-N 2.99Å; F115-L158 HydrophobicContact CD1-CB 4.39Å; F115-L158 HydrophobicContact CD2-CD2 4.12Å; F115-L158 HydrophobicContact CE1-CB 3.77Å; F115-L158 HydrophobicContact CE2-CB 4.24Å; F115-L158 HydrophobicContact CE2-CD2 3.6Å; F115-L158 HydrophobicContact CE2-CG 4.38Å; F115-L158 HydrophobicContact CZ-CB 3.69Å; F115-L158 HydrophobicContact CZ-CD2 3.9Å; F115-L158 HydrophobicContact CZ-CG 4.32Å; F115-K160 HydrophobicContact CD1-CG 4.05Å; F115-K160 HydrophobicContact CE1-CG 3.9Å
116Q97.7Very high97.6Very high174 Ų17447.7 Ų47.781%0.81325%0.246SC*.G310 helixtrans-69.5-20.2178-62.2177.51.300112.7S113 L114S113-Q116 WeakPolarHBondContact O-CB 3.09Å; S113-Q116 WeakPolarHBondContact O-CG 3.3Å; S113-Q116 PolarHBondContact O-N 3.19Å; L114-Q116 PolarHBondContact O-N 3.39Å; L114-Q116 VanDerWaalsContact O-N 3.14Å
117R97.9Very high97.7Very high170 Ų17046.8 Ų46.864%0.64224%0.241SC*.G310 helixtrans-86.4-8.8176.9-58.6-172.7-179.7-171-2.2112.9L114 F115 N119 Y207L114-R117 WeakPolarHBondContact O-CB 3.25Å; L114-R117 PolarHBondContact O-N 3.03Å; F115-R117 PolarHBondContact O-N 2.81Å; R117-N119 PolarHBondContact O-N 2.58Å; R117-Y207 HydrophobicContact CB-CE2 3.97Å; R117-Y207 WeakPolarHBondContact CD-OH 3.42Å
118F98.1Very high97.8Very high16 Ų1646.9 Ų46.97%0.0724%0.24CC..  trans-72.1130.5178.3-74.622.9000109.4L114 F115 Q122 G125 L158 K160 Y207L114-F118 WeakPolarHBondContact O-CD1 3.48Å; F115-F118 HydrophobicContact CD1-CD2 4.17Å; F115-F118 AromaticContact CD1-CE2 3.92Å; F115-F118 HydrophobicContact CD1-CE2 3.92Å; F115-F118 HydrophobicContact CD1-CZ 4.24Å; F115-F118 HydrophobicContact CE1-CE2 4.1Å; F115-F118 HydrophobicContact CE1-CZ 4.49Å; F115-F118 WeakPolarHBondContact O-CB 3.33Å; F115-F118 PolarHBondContact O-N 2.99Å; F118-Q122 HydrophobicContact CB-CB 3.98Å; F118-Q122 HydrophobicContact CD2-CB 4.04Å; F118-Q122 WeakPolarHBondContact CD2-O 3.35Å; F118-Q122 HydrophobicContact CG-CB 4.06Å; F118-G125 VanDerWaalsContact CZ-CA 3.49Å; F118-L158 HydrophobicContact CE1-CD1 4.28Å; F118-L158 HydrophobicContact CE2-CB 4.45Å; F118-L158 HydrophobicContact CZ-CB 3.86Å; F118-L158 HydrophobicContact CZ-CD1 4.08Å; F118-K160 HydrophobicContact CD2-CD 4.22Å; F118-K160 HydrophobicContact CD2-CG 4.43Å; F118-Y207 HydrophobicContact CD1-CD1 4.12Å; F118-Y207 AromaticContact CD1-CD2 3.9Å; F118-Y207 HydrophobicContact CD1-CD2 3.9Å; F118-Y207 AromaticContact CD1-CG 3.66Å; F118-Y207 HydrophobicContact CD1-CG 3.66Å; F118-Y207 VanDerWaalsContact CE1-CB 3.49Å; F118-Y207 AromaticContact CE1-CD1 3.58Å; F118-Y207 HydrophobicContact CE1-CD1 3.58Å; F118-Y207 HydrophobicContact CE1-CD2 4.19Å; F118-Y207 HydrophobicContact CE1-CE1 4.36Å; F118-Y207 AromaticContact CE1-CG 3.48Å; F118-Y207 HydrophobicContact CE1-CG 3.48Å; F118-Y207 VanDerWaalsContact CE1-CG 3.48Å; F118-Y207 HydrophobicContact CZ-CD1 4.49Å; F118-Y207 HydrophobicContact CZ-CG 4.39Å
119N97.3Very high97.7Very high74 Ų7445.8 Ų45.840%0.39624%0.235SC..  trans-71.1179.6167.569.343.8000111.3R117 T121 Q122R117-N119 PolarHBondContact O-N 2.58Å; N119-T121 PolarHBondContact O-N 2.52Å; N119-T121 WeakPolarHBondContact OD1-CA 3.43Å; N119-T121 PolarHBondContact OD1-N 3.5Å; N119-T121 PolarHBondContact OD1-OG1 3.39Å; N119-Q122 VanDerWaalsContact ND2-CD 3.28Å; N119-Q122 PolarHBondContact ND2-OE1 3.33Å; N119-Q122 PolarHBondContact O-N 3.36Å; N119-Q122 WeakPolarHBondContact OD1-CG 2.8Å; N119-Q122 PolarHBondContact OD1-N 2.89Å
120S95.8Very high97.6Very high115 Ų11544.7 Ų44.780%0.80423%0.225SC*.SBendtrans-66.2-22-17754.20000114.5
121T96.4Very high97.3Very high56 Ų5641 Ų4134%0.34421%0.206SC..SBendtrans-93.3-20.3179.654.10000113.7N119 K204N119-T121 PolarHBondContact O-N 2.52Å; N119-T121 WeakPolarHBondContact OD1-CA 3.43Å; N119-T121 PolarHBondContact OD1-N 3.5Å; N119-T121 PolarHBondContact OD1-OG1 3.39Å; T121-K204 CarbonylContact C-O 3.47Å; T121-K204 PolarHBondContact OG1-O 2.75Å
122Q98.5Very high97Very high27 Ų2743.1 Ų43.113%0.12622%0.217CC..  trans-79.9122.4-176.8-74.4170.7-35.500111.6F118 N119 K204 M205 H206F118-Q122 HydrophobicContact CB-CB 3.98Å; F118-Q122 HydrophobicContact CD2-CB 4.04Å; F118-Q122 WeakPolarHBondContact CD2-O 3.35Å; F118-Q122 HydrophobicContact CG-CB 4.06Å; N119-Q122 VanDerWaalsContact ND2-CD 3.28Å; N119-Q122 PolarHBondContact ND2-OE1 3.33Å; N119-Q122 PolarHBondContact O-N 3.36Å; N119-Q122 WeakPolarHBondContact OD1-CG 2.8Å; N119-Q122 PolarHBondContact OD1-N 2.89Å; Q122-K204 VanDerWaalsContact CG-O 3.29Å; Q122-K204 WeakPolarHBondContact CG-O 3.39Å; Q122-M205 CarbonylContact C-O 3.58Å; Q122-M205 WeakPolarHBondContact CA-O 3.47Å; Q122-H206 WeakPolarHBondContact CG-O 3.18Å; Q122-H206 PolarHBondContact NE2-O 3.42Å
123T98.3Very high96.5Very high1 Ų140.8 Ų40.81%0.00621%0.208CC..  trans-117.6-24-178.152.10000113.4K160 Q163 L164 M205T123-K160 PolarHBondContact O-N 3.18Å; T123-Q163 HydrophobicContact CG2-CB 3.9Å; T123-L164 HydrophobicContact CG2-CD2 4.19Å; T123-L164 HydrophobicContact CG2-CG 4.39Å; T123-M205 PolarHBondContact N-O 3Å; T123-M205 PolarHBondContact OG1-O 3.48Å
124F98.7Very high96.2Very high1 Ų139.7 Ų39.70%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-118.6135.6177.3-59.7-73.7000111.7L126 I157 L158 M159 L164 W169 L195 M205 H206 Y207F124-L126 HydrophobicContact CB-CD1 4.12Å; F124-L126 HydrophobicContact CB-CG 4.42Å; F124-I157 HydrophobicContact CD1-CG2 4.01Å; F124-L158 CarbonylContact C-O 3.48Å; F124-L158 VanDerWaalsContact CA-O 3.28Å; F124-L158 WeakPolarHBondContact CA-O 3.41Å; F124-M159 HydrophobicContact CD1-CE 4.15Å; F124-M159 HydrophobicContact CD1-CG 4.1Å; F124-M159 HydrophobicContact CE1-CE 3.72Å; F124-M159 HydrophobicContact CE1-CG 3.86Å; F124-M159 HydrophobicContact CE1-SD 4.13Å; F124-L164 HydrophobicContact CD1-CD1 4.46Å; F124-L164 HydrophobicContact CE1-CD1 3.6Å; F124-L164 HydrophobicContact CE1-CD2 4.29Å; F124-L164 HydrophobicContact CE2-CD1 4.46Å; F124-L164 HydrophobicContact CE2-CD2 3.66Å; F124-L164 HydrophobicContact CZ-CD1 3.61Å; F124-L164 HydrophobicContact CZ-CD2 3.49Å; F124-L164 VanDerWaalsContact CZ-CD2 3.49Å; F124-L164 HydrophobicContact CZ-CG 4.2Å; F124-W169 HydrophobicContact CE2-CE3 4.1Å; F124-W169 AromaticContact CE2-CH2 3.97Å; F124-W169 HydrophobicContact CE2-CH2 3.97Å; F124-W169 AromaticContact CE2-CZ3 3.61Å; F124-W169 HydrophobicContact CE2-CZ3 3.61Å; F124-W169 HydrophobicContact CZ-CD2 4.23Å; F124-W169 AromaticContact CZ-CE3 3.96Å; F124-W169 HydrophobicContact CZ-CE3 3.96Å; F124-W169 AromaticContact CZ-CH2 3.74Å; F124-W169 HydrophobicContact CZ-CH2 3.74Å; F124-W169 HydrophobicContact CZ-CZ2 4.01Å; F124-W169 AromaticContact CZ-CZ3 3.67Å; F124-W169 HydrophobicContact CZ-CZ3 3.67Å; F124-L195 HydrophobicContact CD1-CD2 4.31Å; F124-L195 HydrophobicContact CD2-CD2 4.42Å; F124-L195 HydrophobicContact CE1-CD2 3.89Å; F124-L195 HydrophobicContact CE2-CD2 4.01Å; F124-L195 HydrophobicContact CZ-CD2 3.71Å; F124-M205 PolarHBondContact N-O 3.3Å; F124-H206 CarbonylContact O-C 3.09Å; F124-H206 VanDerWaalsContact O-CA 3.32Å; F124-H206 WeakPolarHBondContact O-CA 3.31Å; F124-Y207 PolarHBondContact O-N 3.28Å
125G98.7Very high95.8Very high0 Ų043.2 Ų43.20%022%0.215CC..EExtended strand (participates in β ladder)trans-110.5121.3162.700000109.6F118 I157 L158 Y207 L209F118-G125 VanDerWaalsContact CZ-CA 3.49Å; G125-I157 WeakPolarHBondContact O-CA 3.36Å; G125-L158 PolarHBondContact N-O 3.11Å; G125-L158 PolarHBondContact O-N 2.86Å; G125-Y207 VanDerWaalsContact CA-O 3.29Å; G125-Y207 WeakPolarHBondContact CA-O 3.48Å; G125-L209 VanDerWaalsContact C-CD1 3.43Å; G125-L209 WeakPolarHBondContact O-CD1 3.27Å
126L98.7Very high94.6Very high1 Ų147.5 Ų47.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-138.7154.4-175-67.3157.6000110.7F124 F152 N153 T154 I157 I199 Y207 L209F124-L126 HydrophobicContact CB-CD1 4.12Å; F124-L126 HydrophobicContact CB-CG 4.42Å; L126-F152 HydrophobicContact CB-CB 3.79Å; L126-F152 HydrophobicContact CB-CD1 3.89Å; L126-F152 HydrophobicContact CB-CG 4.06Å; L126-F152 HydrophobicContact CD1-CB 3.97Å; L126-F152 HydrophobicContact CD1-CG 4.41Å; L126-F152 HydrophobicContact CG-CB 4.41Å; L126-N153 WeakPolarHBondContact CD2-O 3.48Å; L126-T154 HydrophobicContact CD2-CG2 4.45Å; L126-I157 HydrophobicContact CD2-CB 4.02Å; L126-I157 HydrophobicContact CD2-CD1 4.24Å; L126-I157 HydrophobicContact CD2-CG1 3.66Å; L126-I157 HydrophobicContact CD2-CG2 3.71Å; L126-I157 HydrophobicContact CG-CG2 4.23Å; L126-I199 HydrophobicContact CD1-CD1 3.47Å; L126-I199 VanDerWaalsContact CD1-CD1 3.47Å; L126-Y207 PolarHBondContact N-O 2.73Å; L126-L209 PolarHBondContact O-N 2.89Å
127V98.2Very high92.6Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-94.3138.8172.4173.40000109.2F152 N153 L209 P210 C211 N214V127-F152 CarbonylContact O-C 3.56Å; V127-F152 WeakPolarHBondContact O-CA 3.36Å; V127-N153 PolarHBondContact O-N 3.37Å; V127-L209 HydrophobicContact CG2-CB 3.58Å; V127-L209 HydrophobicContact CG2-CD1 4.39Å; V127-P210 WeakPolarHBondContact CG2-O 3.43Å; V127-C211 HydrophobicContact CG1-CB 4.34Å; V127-N214 HydrophobicContact CB-CB 3.61Å; V127-N214 HydrophobicContact CG1-CB 3.92Å; V127-N214 HydrophobicContact CG2-CB 3.56Å
128E97.6Very high90.2Very high35 Ų3541.1 Ų41.116%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-61.1148175.3-159.3-174.4-179.300111.3L130 R150 G151 F152 Q216E128-L130 PolarHBondContact O-N 3.39Å; E128-R150 HydrophobicContact CG-CB 4.05Å; E128-R150 WeakPolarHBondContact OE1-CB 3.41Å; E128-R150 IonicContact OE1-CZ 3.44Å; E128-R150 PolarHBondContact OE1-N 3.25Å; E128-R150 IonicContact OE1-NE 3.42Å; E128-R150 PolarHBondContact OE1-NE 3.04Å; E128-R150 VanDerWaalsContact OE1-NE 3.08Å; E128-R150 IonicContact OE1-NH1 2.8Å; E128-R150 IonicContact OE1-NH2 2.66Å; E128-R150 PolarHBondContact OE1-NH2 3.46Å; E128-R150 IonicContact OE2-CZ 3.97Å; E128-R150 IonicContact OE2-NE 2.68Å; E128-R150 IonicContact OE2-NH2 3.3Å; E128-R150 PolarHBondContact OE2-NH2 3.17Å; E128-G151 CarbonylContact C-O 3.51Å; E128-G151 WeakPolarHBondContact CA-O 3.13Å; E128-G151 WeakPolarHBondContact CG-O 3.22Å; E128-F152 HydrophobicContact CB-CD1 4.44Å; E128-F152 HydrophobicContact CB-CE1 4.4Å; E128-Q216 PolarHBondContact O-NE2 3.5Å
129N95.4Very high88.2Confident3 Ų343.9 Ų43.92%0.01625%0.248CC..PPolyproline II helixtrans-63.2136.9174.4-73.7-56.9000110.5S131 Y134 R150 G151 F152 N153 Q192N129-S131 PolarHBondContact O-N 3.26Å; N129-Y134 WeakPolarHBondContact ND2-CE2 3.01Å; N129-R150 HydrophobicContact CB-CB 4.5Å; N129-R150 WeakPolarHBondContact CB-O 3.28Å; N129-R150 PolarHBondContact ND2-O 3.37Å; N129-R150 VanDerWaalsContact ND2-O 3.09Å; N129-G151 PolarHBondContact N-O 2.79Å; N129-G151 VanDerWaalsContact ND2-C 3.27Å; N129-G151 PolarHBondContact ND2-O 3.48Å; N129-F152 PolarHBondContact ND2-N 3.06Å; N129-F152 PolarHBondContact ND2-O 2.72Å; N129-N153 WeakPolarHBondContact OD1-CA 3.38Å; N129-N153 WeakPolarHBondContact OD1-CB 3.2Å; N129-N153 PolarHBondContact OD1-ND2 3.2Å; N129-Q192 PolarHBondContact ND2-NE2 2.93Å; N129-Q192 PolarHBondContact OD1-NE2 2.95Å
130L94.1Very high86.1Confident6 Ų646.5 Ų46.53%0.03127%0.269CS..SBendtrans-8634.5171.6-55.5-173.6000110.9E128 C211 Q216 A221 R222 L225 C226E128-L130 PolarHBondContact O-N 3.39Å; L130-C211 HydrophobicContact CD2-CB 4.35Å; L130-Q216 HydrophobicContact CB-CB 4.29Å; L130-Q216 HydrophobicContact CD1-CB 4.2Å; L130-Q216 HydrophobicContact CG-CB 4.31Å; L130-A221 CarbonylContact O-C 3.45Å; L130-A221 WeakPolarHBondContact O-CA 3.35Å; L130-R222 PolarHBondContact O-N 3.46Å; L130-L225 HydrophobicContact CD2-CB 3.92Å; L130-C226 HydrophobicContact CD1-CB 3.84Å; L130-C226 HydrophobicContact CD2-CB 3.93Å
131S90.8Very high84.1Confident9 Ų946.9 Ų46.96%0.06326%0.262CS..SBendtrans-147.3161.6175.873.60000110.3N129 W133 R150N129-S131 PolarHBondContact O-N 3.26Å; S131-W133 VanDerWaalsContact C-N 3.26Å; S131-W133 PolarHBondContact O-N 3.36Å; S131-R150 WeakPolarHBondContact O-CB 3.3Å
132N90.7Very high82.5Confident44 Ų4451.3 Ų51.324%0.23528%0.284CS..  trans-90.620.1178.4-71.9-24.6000112.8Y134 L135 H136N132-Y134 PolarHBondContact O-N 3.1Å; N132-Y134 VanDerWaalsContact O-N 3.1Å; N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.34Å; N132-L135 PolarHBondContact O-N 3.45Å; N132-H136 PolarHBondContact O-CD2 3.15Å; N132-H136 PolarHBondContact O-N 2.82Å; N132-H136 VanDerWaalsContact O-N 3.09Å
133W88.7Confident81.4Confident55 Ų5552.9 Ų52.921%0.20830%0.295CS..THydrogen-bonded Turntrans-48-44.6-173.8176.2-93.4000113.6S131 R144 Q188 L189S131-W133 VanDerWaalsContact C-N 3.26Å; S131-W133 PolarHBondContact O-N 3.36Å; W133-R144 VanDerWaalsContact CH2-NH1 3.29Å; W133-Q188 HydrophobicContact CZ2-CB 4.13Å; W133-L189 VanDerWaalsContact CD1-CD1 3.48Å; W133-L189 HydrophobicContact CD2-CD1 4.23Å; W133-L189 HydrophobicContact CG-CD1 4.05Å; W133-L189 HydrophobicContact CZ2-CD1 4.39Å; W133-L189 HydrophobicContact CZ2-CD2 4.11Å; W133-L189 HydrophobicContact CZ2-CG 4.13Å; W133-L189 VanDerWaalsContact NE1-CD1 3.26Å
134Y91.9Very high80.9Confident26 Ų2655.5 Ų55.510%0.10231%0.305CS..THydrogen-bonded Turntrans-83.9-13.8179.3-69.2-78.5000114.4N129 N132 W145 A147 R150 L189 D193 N196N129-Y134 WeakPolarHBondContact ND2-CE2 3.01Å; N132-Y134 PolarHBondContact O-N 3.1Å; N132-Y134 VanDerWaalsContact O-N 3.1Å; Y134-W145 VanDerWaalsContact CD1-O 3.27Å; Y134-W145 WeakPolarHBondContact CD1-O 3.28Å; Y134-A147 HydrophobicContact CD1-CB 3.58Å; Y134-A147 HydrophobicContact CD2-CB 4.21Å; Y134-A147 HydrophobicContact CE1-CB 4.16Å; Y134-A147 HydrophobicContact CG-CB 3.61Å; Y134-R150 WeakPolarHBondContact CD2-O 3.34Å; Y134-L189 HydrophobicContact CE2-CD1 4.28Å; Y134-D193 WeakPolarHBondContact CE1-OD1 3.5Å; Y134-D193 PolarHBondContact OH-OD1 3.03Å; Y134-N196 HydrophobicContact CE1-CB 4.42Å; Y134-N196 PolarHBondContact OH-ND2 2.83Å
135L89.1Confident80.6Confident84 Ų8455.6 Ų55.644%0.4431%0.305SS..THydrogen-bonded Turntrans-91.4-21179.3-67.9-176.8000113.5N132 P137 E149 R150N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.34Å; N132-L135 PolarHBondContact O-N 3.45Å; L135-P137 WeakPolarHBondContact O-CD 3.38Å; L135-E149 WeakPolarHBondContact CD2-O 3.11Å; L135-R150 HydrophobicContact CD1-CG 3.51Å; L135-R150 HydrophobicContact CG-CG 4.01Å
136H74.6Confident80.4Confident100 Ų10057.3 Ų57.346%0.46332%0.316SS..  trans-74.8110.8-177.9-82.7-71000112.1N132 S138N132-H136 PolarHBondContact O-CD2 3.15Å; N132-H136 PolarHBondContact O-N 2.82Å; N132-H136 VanDerWaalsContact O-N 3.09Å; H136-S138 PolarHBondContact O-N 3.42Å
137P55.5Low80.3Confident116 Ų11658 Ų5875%0.75332%0.322SS*.  trans-80.1-5.6175.3-1.922000112.4L135 L139L135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-L139 VanDerWaalsContact C-N 3.28Å; P137-L139 PolarHBondContact O-N 2.7Å; P137-L139 VanDerWaalsContact O-N 3.14Å
138S46.5Very low80.2Confident94 Ų9459.5 Ų59.566%0.65733%0.33SS*.  trans-78.55.3-160.3-370000116H136H136-S138 PolarHBondContact O-N 3.42Å
139L56.5Low80Confident74 Ų7464.4 Ų64.439%0.38735%0.353SS..SBendtrans-78.5126164.9-75.5174.4000108P137 N141P137-L139 VanDerWaalsContact C-N 3.28Å; P137-L139 PolarHBondContact O-N 2.7Å; P137-L139 VanDerWaalsContact O-N 3.14Å; L139-N141 CarbonylContact O-C 3.54Å; L139-N141 PolarHBondContact O-N 3.34Å
140P52.9Low80Confident130 Ų13066.8 Ų66.884%0.84436%0.362SS*.SBendtrans-61-8.1-172.217.8-28.7000114.9
141N55.4Low80.1Confident123 Ų12366.5 Ų66.566%0.65836%0.36SS*.SBendtrans-123.2128.9164.9-69.8-30.3000107.6L139 T143L139-N141 CarbonylContact O-C 3.54Å; L139-N141 PolarHBondContact O-N 3.34Å; N141-T143 HydrophobicContact CB-CG2 3.85Å; N141-T143 WeakPolarHBondContact O-CB 3.44Å; N141-T143 WeakPolarHBondContact O-CG2 3.47Å; N141-T143 PolarHBondContact O-N 2.93Å; N141-T143 PolarHBondContact O-OG1 2.97Å
142N62Low80.4Confident149 Ų14966.5 Ų66.580%0.79736%0.359SS*.  trans-56.571.1175-168.724.1000111.5L184N142-L184 VanDerWaalsContact O-CD2 3.31Å; N142-L184 WeakPolarHBondContact O-CD2 3.12Å
143T75.3Confident80.8Confident60 Ų6064.6 Ų64.637%0.36835%0.349SS..  trans-101.3-0.3-169.144.10000112N141N141-T143 HydrophobicContact CB-CG2 3.85Å; N141-T143 WeakPolarHBondContact O-CB 3.44Å; N141-T143 WeakPolarHBondContact O-CG2 3.47Å; N141-T143 PolarHBondContact O-N 2.93Å; N141-T143 PolarHBondContact O-OG1 2.97Å
144R87.9Confident81.2Confident55 Ų5562.2 Ų62.221%0.20834%0.34CS..PPolyproline II helixtrans-82.6133.6179.6-63.6-58.2-168.9-148.19110.1W133W133-R144 VanDerWaalsContact CH2-NH1 3.29Å
145W92.9Very high81.3Confident4 Ų461 Ų612%0.01534%0.335CS..PPolyproline II helixtrans-67147.1169.5-75.174000109.8Y134 V177 H180 L181 L184 A186 L187 D193 A197Y134-W145 VanDerWaalsContact CD1-O 3.27Å; Y134-W145 WeakPolarHBondContact CD1-O 3.28Å; W145-V177 HydrophobicContact CH2-CG1 4.12Å; W145-V177 HydrophobicContact CZ3-CG2 4.34Å; W145-H180 HydrophobicContact CE3-CB 4.14Å; W145-H180 HydrophobicContact CH2-CB 3.96Å; W145-H180 HydrophobicContact CZ3-CB 3.63Å; W145-L181 HydrophobicContact CH2-CD2 4.15Å; W145-L181 HydrophobicContact CH2-CG 4.25Å; W145-L181 HydrophobicContact CZ2-CD2 3.98Å; W145-L184 HydrophobicContact CB-CD1 4.33Å; W145-L184 HydrophobicContact CD2-CD1 3.65Å; W145-L184 HydrophobicContact CE3-CD1 4.24Å; W145-L184 HydrophobicContact CG-CD1 3.71Å; W145-L184 HydrophobicContact CZ2-CB 4.27Å; W145-L184 HydrophobicContact CZ2-CD1 4.35Å; W145-A186 PolarHBondContact NE1-O 3.4Å; W145-L187 HydrophobicContact CD2-CD2 3.72Å; W145-L187 VanDerWaalsContact CE2-CD2 3.44Å; W145-L187 HydrophobicContact CE3-CD2 3.88Å; W145-L187 HydrophobicContact CG-CD2 4.48Å; W145-L187 HydrophobicContact CH2-CD2 3.59Å; W145-L187 HydrophobicContact CH2-CG 4.41Å; W145-L187 HydrophobicContact CZ2-CD2 3.38Å; W145-L187 HydrophobicContact CZ2-CG 3.99Å; W145-L187 HydrophobicContact CZ3-CD2 3.82Å; W145-D193 HydrophobicContact CB-CB 3.78Å; W145-D193 HydrophobicContact CD2-CB 4.03Å; W145-D193 HydrophobicContact CE3-CB 4.45Å; W145-D193 HydrophobicContact CG-CB 3.68Å; W145-A197 HydrophobicContact CE3-CB 4.2Å
146P94.4Very high81.8Confident35 Ų3557 Ų5723%0.22731%0.314CS..PPolyproline II helixtrans-73.7146.7-17528.5-33.5000112.2H180 N196 A197 K200P146-H180 VanDerWaalsContact CG-CE1 3.5Å; P146-H180 WeakPolarHBondContact CG-CE1 3.43Å; P146-H180 WeakPolarHBondContact CG-NE2 3.43Å; P146-N196 CarbonylContact O-C 3.53Å; P146-N196 VanDerWaalsContact O-C 3.25Å; P146-A197 HydrophobicContact CG-CB 3.79Å; P146-A197 VanDerWaalsContact O-CA 3.3Å; P146-A197 WeakPolarHBondContact O-CA 3.42Å; P146-A197 PolarHBondContact O-N 2.77Å; P146-A197 VanDerWaalsContact O-N 3.15Å; P146-K200 HydrophobicContact CB-CG 4.26Å
147A95.9Very high82.9Confident15 Ų1552.2 Ų52.212%0.12429%0.292CS..  trans-144.4165.1174.100000111.5Y134 N196 K200Y134-A147 HydrophobicContact CD1-CB 3.58Å; Y134-A147 HydrophobicContact CD2-CB 4.21Å; Y134-A147 HydrophobicContact CE1-CB 4.16Å; Y134-A147 HydrophobicContact CG-CB 3.61Å; A147-N196 HydrophobicContact CB-CB 3.8Å; A147-K200 WeakPolarHBondContact O-CD 3.31Å; A147-K200 PolarHBondContact O-NZ 3.03Å
148L95.7Very high85Confident32 Ų3246.7 Ų46.717%0.16826%0.257CS..SBendtrans-80.8128.8161.6-66.8175.2000108.3R150 G151 F152 I199 K200 P203L148-R150 PolarHBondContact O-N 2.69Å; L148-G151 VanDerWaalsContact O-CA 3.31Å; L148-G151 WeakPolarHBondContact O-CA 3.43Å; L148-G151 PolarHBondContact O-N 2.99Å; L148-F152 HydrophobicContact CB-CE2 4.34Å; L148-I199 HydrophobicContact CD1-CG2 3.61Å; L148-I199 HydrophobicContact CG-CG2 4.24Å; L148-K200 HydrophobicContact CD2-CD 3.45Å; L148-K200 VanDerWaalsContact CD2-CD 3.45Å; L148-K200 HydrophobicContact CG-CD 4.05Å; L148-P203 HydrophobicContact CD1-CB 3.88Å; L148-P203 HydrophobicContact CD1-CG 4.28Å; L148-P203 HydrophobicContact CD2-CG 4.34Å
149E93.9Very high87.5Confident138 Ų13842.4 Ų42.465%0.64523%0.226SC*.THydrogen-bonded Turntrans51.2-126.4175.2-58.6177.3-16400111.9L135 G151L135-E149 WeakPolarHBondContact CD2-O 3.11Å; E149-G151 PolarHBondContact O-N 3.29Å
150R95Very high89.5Confident54 Ų5440.4 Ų40.420%0.20421%0.214CC..THydrogen-bonded Turntrans-78.42.1176.1-68.1178-72.6-80.1-1.1113.7E128 N129 S131 Y134 L135 L148E128-R150 HydrophobicContact CG-CB 4.05Å; E128-R150 WeakPolarHBondContact OE1-CB 3.41Å; E128-R150 IonicContact OE1-CZ 3.44Å; E128-R150 PolarHBondContact OE1-N 3.25Å; E128-R150 IonicContact OE1-NE 3.42Å; E128-R150 PolarHBondContact OE1-NE 3.04Å; E128-R150 VanDerWaalsContact OE1-NE 3.08Å; E128-R150 IonicContact OE1-NH1 2.8Å; E128-R150 IonicContact OE1-NH2 2.66Å; E128-R150 PolarHBondContact OE1-NH2 3.46Å; E128-R150 IonicContact OE2-CZ 3.97Å; E128-R150 IonicContact OE2-NE 2.68Å; E128-R150 IonicContact OE2-NH2 3.3Å; E128-R150 PolarHBondContact OE2-NH2 3.17Å; N129-R150 HydrophobicContact CB-CB 4.5Å; N129-R150 WeakPolarHBondContact CB-O 3.28Å; N129-R150 PolarHBondContact ND2-O 3.37Å; N129-R150 VanDerWaalsContact ND2-O 3.09Å; S131-R150 WeakPolarHBondContact O-CB 3.3Å; Y134-R150 WeakPolarHBondContact CD2-O 3.34Å; L135-R150 HydrophobicContact CD1-CG 3.51Å; L135-R150 HydrophobicContact CG-CG 4.01Å; L148-R150 PolarHBondContact O-N 2.69Å
151G96.8Very high91.7Very high0 Ų034.2 Ų34.20%017%0.174CC..  trans66.2-179.8-170.300000112.4E128 N129 L148 E149 N196E128-G151 CarbonylContact C-O 3.51Å; E128-G151 WeakPolarHBondContact CA-O 3.13Å; E128-G151 WeakPolarHBondContact CG-O 3.22Å; N129-G151 PolarHBondContact N-O 2.79Å; N129-G151 VanDerWaalsContact ND2-C 3.27Å; N129-G151 PolarHBondContact ND2-O 3.48Å; L148-G151 VanDerWaalsContact O-CA 3.31Å; L148-G151 WeakPolarHBondContact O-CA 3.43Å; L148-G151 PolarHBondContact O-N 2.99Å; E149-G151 PolarHBondContact O-N 3.29Å; G151-N196 WeakPolarHBondContact CA-OD1 3.28Å
152F98Very high93.7Very high9 Ų933 Ų334%0.03917%0.165CC..EExtended strand (participates in β ladder)trans-117.1146.2-174.7-63.2-84.6000111.2L126 V127 E128 N129 L148 Q192 N196 I199 H206 T208L126-F152 HydrophobicContact CB-CB 3.79Å; L126-F152 HydrophobicContact CB-CD1 3.89Å; L126-F152 HydrophobicContact CB-CG 4.06Å; L126-F152 HydrophobicContact CD1-CB 3.97Å; L126-F152 HydrophobicContact CD1-CG 4.41Å; L126-F152 HydrophobicContact CG-CB 4.41Å; V127-F152 CarbonylContact O-C 3.56Å; V127-F152 WeakPolarHBondContact O-CA 3.36Å; E128-F152 HydrophobicContact CB-CD1 4.44Å; E128-F152 HydrophobicContact CB-CE1 4.4Å; N129-F152 PolarHBondContact ND2-N 3.06Å; N129-F152 PolarHBondContact ND2-O 2.72Å; L148-F152 HydrophobicContact CB-CE2 4.34Å; F152-Q192 WeakPolarHBondContact O-CG 3.45Å; F152-N196 PolarHBondContact N-ND2 3.43Å; F152-N196 PolarHBondContact N-OD1 3.22Å; F152-N196 PolarHBondContact O-ND2 3Å; F152-I199 HydrophobicContact CD2-CD1 4.21Å; F152-I199 HydrophobicContact CD2-CG2 4.3Å; F152-I199 HydrophobicContact CE2-CG2 4.03Å; F152-H206 AromaticContact CE1-CD2 3.67Å; F152-H206 AromaticContact CE1-NE2 3.99Å; F152-H206 AromaticContact CE2-CD2 3.72Å; F152-H206 AromaticContact CE2-NE2 3.85Å; F152-H206 AromaticContact CZ-CD2 3.22Å; F152-H206 WeakPolarHBondContact CZ-CD2 3.45Å; F152-H206 AromaticContact CZ-NE2 3.23Å; F152-H206 WeakPolarHBondContact CZ-NE2 3.36Å; F152-T208 HydrophobicContact CE1-CG2 4.21Å
153N97.1Very high95.4Very high4 Ų428.7 Ų28.72%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-89.8133.6177.1-166.4-90.8000111.5L126 V127 N129 G155 Q192 N214 H237 N239L126-N153 WeakPolarHBondContact CD2-O 3.48Å; V127-N153 PolarHBondContact O-N 3.37Å; N129-N153 WeakPolarHBondContact OD1-CA 3.38Å; N129-N153 WeakPolarHBondContact OD1-CB 3.2Å; N129-N153 PolarHBondContact OD1-ND2 3.2Å; N153-G155 PolarHBondContact OD1-N 3.01Å; N153-Q192 PolarHBondContact ND2-OE1 3.36Å; N153-N214 WeakPolarHBondContact CB-ND2 3.18Å; N153-N214 PolarHBondContact OD1-ND2 2.9Å; N153-H237 PolarHBondContact OD1-CE1 2.86Å; N153-H237 PolarHBondContact OD1-ND1 2.49Å; N153-N239 VanDerWaalsContact CG-ND2 3.32Å; N153-N239 PolarHBondContact ND2-ND2 3.46Å; N153-N239 PolarHBondContact OD1-ND2 3.42Å; N153-N239 VanDerWaalsContact OD1-ND2 3.11Å
154T97Very high96.5Very high4 Ų425.8 Ų25.83%0.02512%0.122CC..EExtended strand (participates in β ladder)trans-96.611.7-174.660.30000114.8K81 L126 V156 I157 D191 Q192 L195K81-T154 PolarHBondContact NZ-O 3.34Å; K81-T154 PolarHBondContact NZ-OG1 3.08Å; L126-T154 HydrophobicContact CD2-CG2 4.45Å; T154-V156 VanDerWaalsContact C-N 3.28Å; T154-V156 PolarHBondContact O-N 2.71Å; T154-I157 HydrophobicContact CG2-CD1 4.39Å; T154-I157 WeakPolarHBondContact O-CG1 3.41Å; T154-D191 WeakPolarHBondContact CB-OD2 3.27Å; T154-D191 PolarHBondContact OG1-OD2 3.34Å; T154-Q192 HydrophobicContact CG2-CB 3.94Å; T154-Q192 HydrophobicContact CG2-CG 4.04Å; T154-L195 HydrophobicContact CG2-CB 4.27Å; T154-L195 HydrophobicContact CG2-CD1 3.49Å; T154-L195 VanDerWaalsContact CG2-CD1 3.49Å; T154-L195 HydrophobicContact CG2-CG 4.49Å
155G95.8Very high97Very high0 Ų025.8 Ų25.80%012%0.122CC..EExtended strand (participates in β ladder)trans-66.3-27.5175.400000115.2L98 D99 N153 H237L98-G155 CarbonylContact C-O 3.58Å; L98-G155 WeakPolarHBondContact CA-O 3.29Å; D99-G155 PolarHBondContact N-O 2.63Å; D99-G155 VanDerWaalsContact OD2-CA 3.31Å; D99-G155 WeakPolarHBondContact OD2-CA 3.39Å; N153-G155 PolarHBondContact OD1-N 3.01Å; G155-H237 WeakPolarHBondContact CA-CE1 3.44Å
156V98.5Very high97.2Very high0 Ų032.2 Ų32.20%016%0.156CC..EExtended strand (participates in β ladder)trans-137.7115.4179.7-178.90000108L96 V97 L98 V102 L111 T154 Y213 N214 I235L96-V156 HydrophobicContact CD1-CG1 3.92Å; V97-V156 WeakPolarHBondContact O-CA 3.32Å; L98-V156 HydrophobicContact CD2-CB 4.32Å; L98-V156 HydrophobicContact CD2-CG1 3.95Å; L98-V156 HydrophobicContact CD2-CG2 3.93Å; V102-V156 HydrophobicContact CG1-CG2 4.35Å; L111-V156 HydrophobicContact CD2-CG1 3.91Å; T154-V156 VanDerWaalsContact C-N 3.28Å; T154-V156 PolarHBondContact O-N 2.71Å; V156-Y213 WeakPolarHBondContact CG2-O 3.19Å; V156-N214 HydrophobicContact CB-CB 4.14Å; V156-N214 HydrophobicContact CG2-CB 4.01Å; V156-I235 HydrophobicContact CG1-CD1 4.1Å; V156-I235 HydrophobicContact CG2-CD1 4.19Å; V156-I235 HydrophobicContact CG2-CG2 4.02Å
157I98.7Very high97.3Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-131.9120.5-175.6-37.4-179.2000110.3K81 L96 V97 F124 G125 L126 T154 M159 L195K81-I157 HydrophobicContact CD-CD1 4.18Å; L96-I157 CarbonylContact C-O 3.59Å; L96-I157 WeakPolarHBondContact CA-O 3.06Å; V97-I157 HydrophobicContact CB-CB 3.98Å; V97-I157 HydrophobicContact CB-CD1 4.38Å; V97-I157 HydrophobicContact CB-CG1 4.19Å; V97-I157 HydrophobicContact CG2-CB 4.31Å; V97-I157 PolarHBondContact N-O 3.43Å; V97-I157 PolarHBondContact O-N 3.23Å; F124-I157 HydrophobicContact CD1-CG2 4.01Å; G125-I157 WeakPolarHBondContact O-CA 3.36Å; L126-I157 HydrophobicContact CD2-CB 4.02Å; L126-I157 HydrophobicContact CD2-CD1 4.24Å; L126-I157 HydrophobicContact CD2-CG1 3.66Å; L126-I157 HydrophobicContact CD2-CG2 3.71Å; L126-I157 HydrophobicContact CG-CG2 4.23Å; T154-I157 HydrophobicContact CG2-CD1 4.39Å; T154-I157 WeakPolarHBondContact O-CG1 3.41Å; I157-M159 HydrophobicContact CD1-CE 4.21Å; I157-M159 HydrophobicContact CG2-CB 4.32Å; I157-M159 HydrophobicContact CG2-CE 3.99Å; I157-L195 HydrophobicContact CD1-CD1 4.1Å
158L98.8Very high97.4Very high0 Ų035.3 Ų35.30%018%0.175CC..EExtended strand (participates in β ladder)trans-81119.4159.2-67.8-177.4000108.3L96 L111 L114 F115 F118 F124 G125 L209L96-L158 HydrophobicContact CB-CD2 4.23Å; L96-L158 HydrophobicContact CD1-CD2 3.8Å; L111-L158 HydrophobicContact CD1-CD1 4.1Å; L111-L158 HydrophobicContact CD1-CD2 4.4Å; L111-L158 HydrophobicContact CD1-CG 4.24Å; L111-L158 HydrophobicContact CG-CD2 4.2Å; L111-L158 WeakPolarHBondContact O-CD1 3.18Å; L114-L158 HydrophobicContact CB-CD1 3.98Å; F115-L158 HydrophobicContact CD1-CB 4.39Å; F115-L158 HydrophobicContact CD2-CD2 4.12Å; F115-L158 HydrophobicContact CE1-CB 3.77Å; F115-L158 HydrophobicContact CE2-CB 4.24Å; F115-L158 HydrophobicContact CE2-CD2 3.6Å; F115-L158 HydrophobicContact CE2-CG 4.38Å; F115-L158 HydrophobicContact CZ-CB 3.69Å; F115-L158 HydrophobicContact CZ-CD2 3.9Å; F115-L158 HydrophobicContact CZ-CG 4.32Å; F118-L158 HydrophobicContact CE1-CD1 4.28Å; F118-L158 HydrophobicContact CE2-CB 4.45Å; F118-L158 HydrophobicContact CZ-CB 3.86Å; F118-L158 HydrophobicContact CZ-CD1 4.08Å; F124-L158 CarbonylContact C-O 3.48Å; F124-L158 VanDerWaalsContact CA-O 3.28Å; F124-L158 WeakPolarHBondContact CA-O 3.41Å; G125-L158 PolarHBondContact N-O 3.11Å; G125-L158 PolarHBondContact O-N 2.86Å; L158-L209 HydrophobicContact CD1-CD2 3.9Å; L158-L209 HydrophobicContact CG-CD1 4.36Å
159M98.7Very high97.5Very high4 Ų434 Ų342%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-127121.2-172.4-170.2177-61.500111.6L84 K94 I95 V97 F124 I157 L161 L164L84-M159 HydrophobicContact CD1-CE 4.45Å; L84-M159 HydrophobicContact CD1-SD 4.45Å; K94-M159 CarbonylContact C-O 3.48Å; K94-M159 WeakPolarHBondContact CA-O 3.5Å; K94-M159 WeakPolarHBondContact CB-O 3.24Å; I95-M159 HydrophobicContact CD1-SD 4.43Å; I95-M159 HydrophobicContact CG1-CB 3.9Å; I95-M159 PolarHBondContact N-O 2.83Å; I95-M159 PolarHBondContact O-N 2.83Å; V97-M159 HydrophobicContact CG2-CB 4.45Å; V97-M159 HydrophobicContact CG2-CE 4Å; F124-M159 HydrophobicContact CD1-CE 4.15Å; F124-M159 HydrophobicContact CD1-CG 4.1Å; F124-M159 HydrophobicContact CE1-CE 3.72Å; F124-M159 HydrophobicContact CE1-CG 3.86Å; F124-M159 HydrophobicContact CE1-SD 4.13Å; I157-M159 HydrophobicContact CD1-CE 4.21Å; I157-M159 HydrophobicContact CG2-CB 4.32Å; I157-M159 HydrophobicContact CG2-CE 3.99Å; M159-L161 HydrophobicContact CG-CD2 4Å; M159-L161 PolarHBondContact O-N 3.4Å; M159-L161 HydrophobicContact SD-CD2 3.67Å; M159-L164 HydrophobicContact CG-CD1 3.45Å; M159-L164 VanDerWaalsContact CG-CD1 3.45Å; M159-L164 HydrophobicContact SD-CD1 3.97Å
160K98.6Very high97.7Very high32 Ų3228.3 Ų28.314%0.13914%0.143CC..  trans-87.184173.7-83.1-166.6-175.31710110.7D93 F115 F118 T123 E162 Q163 L164D93-K160 CarbonylContact O-C 3.45Å; F115-K160 HydrophobicContact CD1-CG 4.05Å; F115-K160 HydrophobicContact CE1-CG 3.9Å; F118-K160 HydrophobicContact CD2-CD 4.22Å; F118-K160 HydrophobicContact CD2-CG 4.43Å; T123-K160 PolarHBondContact O-N 3.18Å; K160-E162 PolarHBondContact O-N 2.96Å; K160-Q163 HydrophobicContact CB-CB 4.22Å; K160-Q163 HydrophobicContact CB-CG 4.46Å; K160-Q163 VanDerWaalsContact CB-OE1 3.28Å; K160-Q163 HydrophobicContact CD-CG 4.26Å; K160-Q163 PolarHBondContact O-N 3.46Å; K160-L164 VanDerWaalsContact O-CG 3.3Å; K160-L164 WeakPolarHBondContact O-CG 3.49Å; K160-L164 PolarHBondContact O-N 3.33Å; K160-L164 VanDerWaalsContact O-N 3.07Å
161L98.5Very high97.8Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-59.8-43-174.5-66.1178.6000113.6L84 T85 L88 I92 D93 I95 M159 Q163 L164 R165L84-L161 HydrophobicContact CB-CD2 4.34Å; T85-L161 HydrophobicContact CG2-CD2 4.13Å; L88-L161 HydrophobicContact CB-CD1 4.34Å; L88-L161 HydrophobicContact CD1-CD1 3.83Å; I92-L161 HydrophobicContact CB-CD1 4.34Å; I92-L161 HydrophobicContact CG2-CD1 3.9Å; D93-L161 WeakPolarHBondContact O-CA 3.16Å; D93-L161 WeakPolarHBondContact O-CB 3.42Å; D93-L161 PolarHBondContact O-N 3.11Å; I95-L161 HydrophobicContact CD1-CD1 4.03Å; I95-L161 HydrophobicContact CD1-CD2 3.97Å; I95-L161 HydrophobicContact CD1-CG 4.17Å; I95-L161 HydrophobicContact CG1-CD1 4.11Å; I95-L161 HydrophobicContact CG1-CD2 4.25Å; I95-L161 HydrophobicContact CG1-CG 4.04Å; I95-L161 HydrophobicContact CG2-CD1 3.74Å; I95-L161 HydrophobicContact CG2-CG 4.47Å; M159-L161 HydrophobicContact CG-CD2 4Å; M159-L161 PolarHBondContact O-N 3.4Å; M159-L161 HydrophobicContact SD-CD2 3.67Å; L161-Q163 PolarHBondContact O-N 3.45Å; L161-L164 PolarHBondContact O-N 3.04Å; L161-R165 VanDerWaalsContact O-CG 3.29Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 3.04Å
162E98Very high97.9Very high98 Ų9829.5 Ų29.546%0.45816%0.164SC..Hα-helixtrans-61.1-47.1-179.4178.9-179.9-139.600111.2D93 K160 L164 R165 L166D93-E162 HydrophobicContact CB-CB 4.35Å; D93-E162 PolarHBondContact O-N 3.4Å; K160-E162 PolarHBondContact O-N 2.96Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 3.49Å; E162-R165 WeakPolarHBondContact O-CB 3.34Å; E162-R165 PolarHBondContact O-N 2.88Å; E162-L166 HydrophobicContact CG-CD1 4.26Å; E162-L166 WeakPolarHBondContact O-CG 3.18Å; E162-L166 PolarHBondContact O-N 3.35Å
163Q97.9Very high97.9Very high58 Ų5829 Ų2927%0.27116%0.162SC..Hα-helixtrans-65.4-38.8179.8-6870.52200111.2T123 K160 L161 L166 Q167T123-Q163 HydrophobicContact CG2-CB 3.9Å; K160-Q163 HydrophobicContact CB-CB 4.22Å; K160-Q163 HydrophobicContact CB-CG 4.46Å; K160-Q163 VanDerWaalsContact CB-OE1 3.28Å; K160-Q163 HydrophobicContact CD-CG 4.26Å; K160-Q163 PolarHBondContact O-N 3.46Å; L161-Q163 PolarHBondContact O-N 3.45Å; Q163-L166 PolarHBondContact O-N 2.94Å; Q163-Q167 WeakPolarHBondContact O-CB 2.63Å; Q163-Q167 VanDerWaalsContact O-CG 3.24Å; Q163-Q167 WeakPolarHBondContact O-CG 2.86Å; Q163-Q167 PolarHBondContact O-N 3.1Å
164L98.3Very high98Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-63.3-41.4173.5-72.2170.5000112.3T85 T123 F124 M159 K160 L161 E162 Q167 G168 W169T85-L164 HydrophobicContact CG2-CB 3.82Å; T85-L164 HydrophobicContact CG2-CD1 4.46Å; T123-L164 HydrophobicContact CG2-CD2 4.19Å; T123-L164 HydrophobicContact CG2-CG 4.39Å; F124-L164 HydrophobicContact CD1-CD1 4.46Å; F124-L164 HydrophobicContact CE1-CD1 3.6Å; F124-L164 HydrophobicContact CE1-CD2 4.29Å; F124-L164 HydrophobicContact CE2-CD1 4.46Å; F124-L164 HydrophobicContact CE2-CD2 3.66Å; F124-L164 HydrophobicContact CZ-CD1 3.61Å; F124-L164 HydrophobicContact CZ-CD2 3.49Å; F124-L164 VanDerWaalsContact CZ-CD2 3.49Å; F124-L164 HydrophobicContact CZ-CG 4.2Å; M159-L164 HydrophobicContact CG-CD1 3.45Å; M159-L164 VanDerWaalsContact CG-CD1 3.45Å; M159-L164 HydrophobicContact SD-CD1 3.97Å; K160-L164 VanDerWaalsContact O-CG 3.3Å; K160-L164 WeakPolarHBondContact O-CG 3.49Å; K160-L164 PolarHBondContact O-N 3.33Å; K160-L164 VanDerWaalsContact O-N 3.07Å; L161-L164 PolarHBondContact O-N 3.04Å; E162-L164 VanDerWaalsContact C-N 3.33Å; E162-L164 PolarHBondContact O-N 3.49Å; L164-Q167 PolarHBondContact O-N 3.49Å; L164-G168 PolarHBondContact O-N 3.34Å; L164-W169 HydrophobicContact CB-CB 3.85Å; L164-W169 HydrophobicContact CB-CG 4.3Å; L164-W169 HydrophobicContact CD2-CB 4.14Å; L164-W169 HydrophobicContact CD2-CD2 4.01Å; L164-W169 HydrophobicContact CD2-CE3 3.76Å; L164-W169 HydrophobicContact CD2-CG 4.16Å; L164-W169 VanDerWaalsContact O-CB 3.25Å; L164-W169 WeakPolarHBondContact O-CB 3.38Å; L164-W169 PolarHBondContact O-N 3.39Å
165R97.8Very high98Very high54 Ų5434.3 Ų34.320%0.20420%0.196CC..Hα-helixtrans-62.2-45.6174.2-71.8174.5-170.6125.9-5.8111.3T85 L88 P89 I92 L161 E162 Q167 G168T85-R165 HydrophobicContact CG2-CG 4.17Å; T85-R165 PolarHBondContact O-NE 2.93Å; T85-R165 PolarHBondContact O-NH2 3.18Å; L88-R165 PolarHBondContact O-NH2 3.41Å; P89-R165 PolarHBondContact O-NH2 2.93Å; I92-R165 PolarHBondContact O-NH1 3.08Å; L161-R165 VanDerWaalsContact O-CG 3.29Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 3.04Å; E162-R165 WeakPolarHBondContact O-CB 3.34Å; E162-R165 PolarHBondContact O-N 2.88Å; R165-Q167 VanDerWaalsContact C-N 3.28Å; R165-Q167 PolarHBondContact O-N 3.42Å; R165-G168 PolarHBondContact O-N 3.02Å; R165-G168 VanDerWaalsContact O-N 3.1Å
166L97.4Very high98.1Very high140 Ų14035.3 Ų35.373%0.73320%0.201SC*.Hα-helixtrans-62.2-33.9177.8-71.6172.5000112.8E162 Q163 G168E162-L166 HydrophobicContact CG-CD1 4.26Å; E162-L166 WeakPolarHBondContact O-CG 3.18Å; E162-L166 PolarHBondContact O-N 3.35Å; Q163-L166 PolarHBondContact O-N 2.94Å; L166-G168 VanDerWaalsContact C-N 3.29Å
167Q96.9Very high98.1Very high76 Ų7635.3 Ų35.336%0.35520%0.201SC..THydrogen-bonded Turntrans-79.4-8.6177.2-71.5172.6300113.5Q163 L164 R165 I172Q163-Q167 WeakPolarHBondContact O-CB 2.63Å; Q163-Q167 VanDerWaalsContact O-CG 3.24Å; Q163-Q167 WeakPolarHBondContact O-CG 2.86Å; Q163-Q167 PolarHBondContact O-N 3.1Å; L164-Q167 PolarHBondContact O-N 3.49Å; R165-Q167 VanDerWaalsContact C-N 3.28Å; R165-Q167 PolarHBondContact O-N 3.42Å; Q167-I172 HydrophobicContact CB-CD1 4.12Å; Q167-I172 WeakPolarHBondContact O-CD1 3.21Å
168G97.4Very high98.1Very high39 Ų3939 Ų3940%0.40222%0.224SC..THydrogen-bonded Turntrans67.844.9-173.400000112.4L164 R165 L166 V170 G171 I172L164-G168 PolarHBondContact O-N 3.34Å; R165-G168 PolarHBondContact O-N 3.02Å; R165-G168 VanDerWaalsContact O-N 3.1Å; L166-G168 VanDerWaalsContact C-N 3.29Å; G168-V170 PolarHBondContact O-N 2.7Å; G168-G171 PolarHBondContact O-N 2.62Å; G168-I172 PolarHBondContact O-N 3.37Å
169W98Very high98Very high4 Ų442.4 Ų42.42%0.01525%0.248CC..Hα-helixtrans-42-44.8-177.1165.3-110.9000114.5L82 T85 F124 L164 G171 I172 F173 L195 V198L82-W169 HydrophobicContact CD2-CZ2 4.1Å; L82-W169 PolarHBondContact O-NE1 3.47Å; T85-W169 HydrophobicContact CG2-CG 4.49Å; F124-W169 HydrophobicContact CE2-CE3 4.1Å; F124-W169 AromaticContact CE2-CH2 3.97Å; F124-W169 HydrophobicContact CE2-CH2 3.97Å; F124-W169 AromaticContact CE2-CZ3 3.61Å; F124-W169 HydrophobicContact CE2-CZ3 3.61Å; F124-W169 HydrophobicContact CZ-CD2 4.23Å; F124-W169 AromaticContact CZ-CE3 3.96Å; F124-W169 HydrophobicContact CZ-CE3 3.96Å; F124-W169 AromaticContact CZ-CH2 3.74Å; F124-W169 HydrophobicContact CZ-CH2 3.74Å; F124-W169 HydrophobicContact CZ-CZ2 4.01Å; F124-W169 AromaticContact CZ-CZ3 3.67Å; F124-W169 HydrophobicContact CZ-CZ3 3.67Å; L164-W169 HydrophobicContact CB-CB 3.85Å; L164-W169 HydrophobicContact CB-CG 4.3Å; L164-W169 HydrophobicContact CD2-CB 4.14Å; L164-W169 HydrophobicContact CD2-CD2 4.01Å; L164-W169 HydrophobicContact CD2-CE3 3.76Å; L164-W169 HydrophobicContact CD2-CG 4.16Å; L164-W169 VanDerWaalsContact O-CB 3.25Å; L164-W169 WeakPolarHBondContact O-CB 3.38Å; L164-W169 PolarHBondContact O-N 3.39Å; W169-G171 VanDerWaalsContact C-N 3.33Å; W169-G171 PolarHBondContact O-N 3.26Å; W169-I172 WeakPolarHBondContact O-CB 3.43Å; W169-I172 PolarHBondContact O-N 3.3Å; W169-I172 VanDerWaalsContact O-N 3.1Å; W169-F173 HydrophobicContact CD2-CD1 4.28Å; W169-F173 AromaticContact CE2-CD1 3.69Å; W169-F173 HydrophobicContact CH2-CB 4.09Å; W169-F173 HydrophobicContact CZ2-CB 4.01Å; W169-F173 AromaticContact CZ2-CD1 3.97Å; W169-F173 HydrophobicContact CZ2-CD1 3.97Å; W169-F173 HydrophobicContact CZ2-CG 4.35Å; W169-F173 AromaticContact NE1-CD1 3.6Å; W169-F173 AromaticContact NE1-CE1 3.97Å; W169-F173 WeakPolarHBondContact O-CD1 3.47Å; W169-F173 PolarHBondContact O-N 2.94Å; W169-L195 HydrophobicContact CH2-CD2 3.61Å; W169-L195 HydrophobicContact CZ2-CD2 3.93Å; W169-V198 HydrophobicContact CH2-CB 4.35Å; W169-V198 HydrophobicContact CH2-CG1 4.02Å; W169-V198 HydrophobicContact CH2-CG2 4.31Å; W169-V198 HydrophobicContact CZ3-CB 4.43Å; W169-V198 HydrophobicContact CZ3-CG1 3.62Å
170V97.6Very high97.8Very high19 Ų1944.2 Ų44.212%0.11526%0.256CS..Hα-helixtrans-58.6-44.9179.8178.10000111.9E64 E86 G168 I172 F173 K174E64-V170 HydrophobicContact CB-CG1 4.39Å; E64-V170 HydrophobicContact CG-CG1 4.39Å; E64-V170 WeakPolarHBondContact OE2-CG1 3.36Å; E86-V170 HydrophobicContact CG-CG2 3.82Å; G168-V170 PolarHBondContact O-N 2.7Å; V170-I172 VanDerWaalsContact C-N 3.33Å; V170-I172 PolarHBondContact O-N 2.71Å; V170-F173 VanDerWaalsContact CA-CE1 3.47Å; V170-F173 HydrophobicContact CB-CE1 4.08Å; V170-F173 HydrophobicContact CG1-CE1 4.03Å; V170-F173 HydrophobicContact CG1-CZ 4.16Å; V170-F173 HydrophobicContact CG2-CE1 4.14Å; V170-K174 HydrophobicContact CG1-CD 4.25Å; V170-K174 HydrophobicContact CG1-CG 4.46Å; V170-K174 WeakPolarHBondContact O-CB 3.45Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.33Å; V170-K174 PolarHBondContact O-N 3.23Å; V170-K174 VanDerWaalsContact O-N 3.13Å
171G98.3Very high97.6Very high48 Ų4844.9 Ų44.950%0.49526%0.261SS..Hα-helixtrans-63.1-39.7175.500000112.5G168 W169 A175G168-G171 PolarHBondContact O-N 2.62Å; W169-G171 VanDerWaalsContact C-N 3.33Å; W169-G171 PolarHBondContact O-N 3.26Å; G171-A175 WeakPolarHBondContact O-CB 3.17Å; G171-A175 PolarHBondContact O-N 2.75Å
172I98.4Very high97.3Very high30 Ų3050.7 Ų50.715%0.15430%0.296CS..Hα-helixtrans-60.7-56.4179.8-64174.4000110.7Q167 G168 W169 V170 K174 A175 I176 V198 Y202Q167-I172 HydrophobicContact CB-CD1 4.12Å; Q167-I172 WeakPolarHBondContact O-CD1 3.21Å; G168-I172 PolarHBondContact O-N 3.37Å; W169-I172 WeakPolarHBondContact O-CB 3.43Å; W169-I172 PolarHBondContact O-N 3.3Å; W169-I172 VanDerWaalsContact O-N 3.1Å; V170-I172 VanDerWaalsContact C-N 3.33Å; V170-I172 PolarHBondContact O-N 2.71Å; I172-K174 VanDerWaalsContact C-N 3.33Å; I172-K174 PolarHBondContact O-N 3.3Å; I172-A175 PolarHBondContact O-N 3.14Å; I172-I176 WeakPolarHBondContact O-CG1 3.44Å; I172-I176 PolarHBondContact O-N 3.28Å; I172-V198 HydrophobicContact CG2-CG1 4.04Å; I172-Y202 HydrophobicContact CG2-CD2 4.22Å; I172-Y202 HydrophobicContact CG2-CE2 3.75Å
173F98.3Very high97Very high0 Ų050.4 Ų50.40%031%0.305CS..Hα-helixtrans-67.5-36.5-17682.5-109.4000111.5V65 I68 L82 V83 W169 V170 A175 I176 V177 V194 V198V65-F173 HydrophobicContact CG1-CE2 4.09Å; V65-F173 HydrophobicContact CG1-CZ 3.9Å; I68-F173 HydrophobicContact CD1-CE2 4.17Å; L82-F173 HydrophobicContact CB-CE1 4.24Å; L82-F173 HydrophobicContact CB-CZ 4.37Å; V83-F173 HydrophobicContact CG1-CE1 4.41Å; V83-F173 HydrophobicContact CG1-CZ 4.2Å; W169-F173 HydrophobicContact CD2-CD1 4.28Å; W169-F173 AromaticContact CE2-CD1 3.69Å; W169-F173 HydrophobicContact CH2-CB 4.09Å; W169-F173 HydrophobicContact CZ2-CB 4.01Å; W169-F173 AromaticContact CZ2-CD1 3.97Å; W169-F173 HydrophobicContact CZ2-CD1 3.97Å; W169-F173 HydrophobicContact CZ2-CG 4.35Å; W169-F173 AromaticContact NE1-CD1 3.6Å; W169-F173 AromaticContact NE1-CE1 3.97Å; W169-F173 WeakPolarHBondContact O-CD1 3.47Å; W169-F173 PolarHBondContact O-N 2.94Å; V170-F173 VanDerWaalsContact CA-CE1 3.47Å; V170-F173 HydrophobicContact CB-CE1 4.08Å; V170-F173 HydrophobicContact CG1-CE1 4.03Å; V170-F173 HydrophobicContact CG1-CZ 4.16Å; V170-F173 HydrophobicContact CG2-CE1 4.14Å; F173-A175 VanDerWaalsContact C-N 3.34Å; F173-A175 PolarHBondContact O-N 3.39Å; F173-I176 PolarHBondContact O-N 2.65Å; F173-V177 HydrophobicContact CD2-CG2 4.5Å; F173-V177 WeakPolarHBondContact O-CB 3.44Å; F173-V177 VanDerWaalsContact O-CG2 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.34Å; F173-V177 PolarHBondContact O-N 2.72Å; F173-V194 HydrophobicContact CB-CG1 3.85Å; F173-V194 HydrophobicContact CD2-CG1 4.18Å; F173-V194 HydrophobicContact CG-CG1 4.29Å; F173-V198 HydrophobicContact CB-CG2 3.93Å
174K98.4Very high96.7Very high58 Ų5848.3 Ų48.325%0.25230%0.296SS..Hα-helixtrans-60-43.4177.1-76.7-167.7174.3-173.70111.9E64 W67 V170 I172 T178E64-K174 WeakPolarHBondContact O-CE 3.39Å; E64-K174 IonicContact OE1-NZ 2.81Å; E64-K174 WeakPolarHBondContact OE2-CE 3.47Å; E64-K174 IonicContact OE2-NZ 3.49Å; E64-K174 PolarHBondContact OE2-NZ 2.76Å; W67-K174 HydrophobicContact CZ2-CB 4.22Å; W67-K174 HydrophobicContact CZ2-CG 3.87Å; V170-K174 HydrophobicContact CG1-CD 4.25Å; V170-K174 HydrophobicContact CG1-CG 4.46Å; V170-K174 WeakPolarHBondContact O-CB 3.45Å; V170-K174 VanDerWaalsContact O-CG 3.23Å; V170-K174 WeakPolarHBondContact O-CG 3.33Å; V170-K174 PolarHBondContact O-N 3.23Å; V170-K174 VanDerWaalsContact O-N 3.13Å; I172-K174 VanDerWaalsContact C-N 3.33Å; I172-K174 PolarHBondContact O-N 3.3Å; K174-T178 VanDerWaalsContact O-CB 3.31Å; K174-T178 WeakPolarHBondContact O-CB 3.21Å; K174-T178 PolarHBondContact O-N 3.42Å; K174-T178 PolarHBondContact O-OG1 3.03Å
175A98.4Very high96.3Very high60 Ų6051.7 Ų51.750%0.49632%0.324SS..Hα-helixtrans-62.2-46177.600000111.9G171 I172 F173 T178 S179G171-A175 WeakPolarHBondContact O-CB 3.17Å; G171-A175 PolarHBondContact O-N 2.75Å; I172-A175 PolarHBondContact O-N 3.14Å; F173-A175 VanDerWaalsContact C-N 3.34Å; F173-A175 PolarHBondContact O-N 3.39Å; A175-T178 PolarHBondContact O-N 2.99Å; A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.37Å
176I98.1Very high96.1Very high21 Ų2149.5 Ų49.511%0.10832%0.317CS..Hα-helixtrans-63.6-46.8178.1-65.2-57.3000111.5I172 F173 S179 H180 A197 V198 S201 Y202I172-I176 WeakPolarHBondContact O-CG1 3.44Å; I172-I176 PolarHBondContact O-N 3.28Å; F173-I176 PolarHBondContact O-N 2.65Å; I176-S179 PolarHBondContact O-N 3.26Å; I176-H180 PolarHBondContact O-CD2 3.3Å; I176-H180 VanDerWaalsContact O-CD2 3.26Å; I176-H180 PolarHBondContact O-N 3.17Å; I176-A197 HydrophobicContact CG2-CB 3.79Å; I176-V198 HydrophobicContact CB-CG2 3.97Å; I176-V198 HydrophobicContact CG1-CG2 4.04Å; I176-V198 HydrophobicContact CG2-CG2 4Å; I176-S201 WeakPolarHBondContact CD1-OG 3.45Å; I176-Y202 HydrophobicContact CD1-CE2 4.24Å; I176-Y202 HydrophobicContact CG1-CE2 4.36Å
177V97.9Very high96Very high0 Ų042.8 Ų42.80%028%0.282CS..Hα-helixtrans-62.4-46.6178.9171.60000110.8W67 I68 W145 F173 S179 H180 L181 V194W67-V177 HydrophobicContact CH2-CB 3.91Å; W67-V177 HydrophobicContact CH2-CG1 3.49Å; W67-V177 VanDerWaalsContact CH2-CG1 3.49Å; W67-V177 HydrophobicContact CZ2-CB 4.49Å; W67-V177 HydrophobicContact CZ2-CG1 4.23Å; W67-V177 HydrophobicContact CZ3-CG1 4Å; I68-V177 HydrophobicContact CD1-CG1 4.23Å; I68-V177 HydrophobicContact CG1-CG1 4.09Å; I68-V177 HydrophobicContact CG2-CG1 3.76Å; W145-V177 HydrophobicContact CH2-CG1 4.12Å; W145-V177 HydrophobicContact CZ3-CG2 4.34Å; F173-V177 HydrophobicContact CD2-CG2 4.5Å; F173-V177 WeakPolarHBondContact O-CB 3.44Å; F173-V177 VanDerWaalsContact O-CG2 3.27Å; F173-V177 WeakPolarHBondContact O-CG2 3.34Å; F173-V177 PolarHBondContact O-N 2.72Å; V177-S179 VanDerWaalsContact C-N 3.3Å; V177-S179 PolarHBondContact O-N 2.77Å; V177-H180 PolarHBondContact O-N 3.27Å; V177-L181 HydrophobicContact CG1-CD1 3.74Å; V177-L181 HydrophobicContact CG1-CG 4.11Å; V177-L181 VanDerWaalsContact O-CG 3.3Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 3.01Å; V177-V194 HydrophobicContact CG2-CB 4.27Å; V177-V194 HydrophobicContact CG2-CG1 3.67Å; V177-V194 HydrophobicContact CG2-CG2 3.76Å
178T97.7Very high95.8Very high79 Ų7941.6 Ų41.649%0.48528%0.276SS..Hα-helixtrans-58.2-43.8178.2-56.80000111.4K174 A175 L181K174-T178 VanDerWaalsContact O-CB 3.31Å; K174-T178 WeakPolarHBondContact O-CB 3.21Å; K174-T178 PolarHBondContact O-N 3.42Å; K174-T178 PolarHBondContact O-OG1 3.03Å; A175-T178 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 3.18Å
179S96.8Very high95.5Very high71 Ų7141.5 Ų41.550%0.49727%0.266SS..Hα-helixtrans-60.4-46176.9-178.10000111.8A175 I176 V177 T182A175-S179 WeakPolarHBondContact O-CB 3.25Å; A175-S179 PolarHBondContact O-N 3.37Å; I176-S179 PolarHBondContact O-N 3.26Å; V177-S179 VanDerWaalsContact C-N 3.3Å; V177-S179 PolarHBondContact O-N 2.77Å; S179-T182 WeakPolarHBondContact O-CB 3.22Å; S179-T182 WeakPolarHBondContact O-CG2 3.45Å; S179-T182 PolarHBondContact O-N 3.43Å; S179-T182 PolarHBondContact O-OG1 2.96Å
180H95.3Very high95.4Very high42 Ų4241.3 Ų41.319%0.19427%0.266CS..Hα-helixtrans-72.6-30.9-179.5-77.5-56.6000114.1W145 P146 I176 V177 T182 S183 L184W145-H180 HydrophobicContact CE3-CB 4.14Å; W145-H180 HydrophobicContact CH2-CB 3.96Å; W145-H180 HydrophobicContact CZ3-CB 3.63Å; P146-H180 VanDerWaalsContact CG-CE1 3.5Å; P146-H180 WeakPolarHBondContact CG-CE1 3.43Å; P146-H180 WeakPolarHBondContact CG-NE2 3.43Å; I176-H180 PolarHBondContact O-CD2 3.3Å; I176-H180 VanDerWaalsContact O-CD2 3.26Å; I176-H180 PolarHBondContact O-N 3.17Å; V177-H180 PolarHBondContact O-N 3.27Å; H180-T182 PolarHBondContact O-N 3.14Å; H180-T182 VanDerWaalsContact O-N 3.08Å; H180-S183 PolarHBondContact O-N 3.07Å; H180-S183 PolarHBondContact O-OG 3.06Å; H180-L184 HydrophobicContact CB-CD1 4.21Å; H180-L184 WeakPolarHBondContact O-CB 3.49Å; H180-L184 PolarHBondContact O-N 3.18Å
181L94.6Very high95.4Very high46 Ų4640.9 Ų40.924%0.24126%0.263CS..THydrogen-bonded Turntrans-64.4-11.4176.6-73.1174.7000113.9W67 P69 W145 V177 T178 S183 L184W67-L181 HydrophobicContact CE3-CD1 4.44Å; W67-L181 HydrophobicContact CH2-CD1 4.48Å; W67-L181 HydrophobicContact CZ3-CD1 3.71Å; P69-L181 HydrophobicContact CG-CD2 4.26Å; W145-L181 HydrophobicContact CH2-CD2 4.15Å; W145-L181 HydrophobicContact CH2-CG 4.25Å; W145-L181 HydrophobicContact CZ2-CD2 3.98Å; V177-L181 HydrophobicContact CG1-CD1 3.74Å; V177-L181 HydrophobicContact CG1-CG 4.11Å; V177-L181 VanDerWaalsContact O-CG 3.3Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 3.01Å; T178-L181 PolarHBondContact O-N 3.18Å; L181-S183 PolarHBondContact O-N 3.17Å; L181-L184 WeakPolarHBondContact CA-O 3.42Å
182T92.4Very high95.3Very high121 Ų12139.3 Ų39.374%0.74224%0.243SC*.THydrogen-bonded Turntrans-68.4-23170.164.70000113.4S179 H180S179-T182 WeakPolarHBondContact O-CB 3.22Å; S179-T182 WeakPolarHBondContact O-CG2 3.45Å; S179-T182 PolarHBondContact O-N 3.43Å; S179-T182 PolarHBondContact O-OG1 2.96Å; H180-T182 PolarHBondContact O-N 3.14Å; H180-T182 VanDerWaalsContact O-N 3.08Å
183S90.9Very high95.3Very high93 Ų9338 Ų3865%0.6524%0.236SC*.THydrogen-bonded Turntrans-125.6-22.8-176.557.20000113.3H180 L181H180-S183 PolarHBondContact O-N 3.07Å; H180-S183 PolarHBondContact O-OG 3.06Å; L181-S183 PolarHBondContact O-N 3.17Å
184L91.4Very high95.2Very high13 Ų1338 Ų387%0.06824%0.236CC..  trans-109.4134.2178.5-59.8179.8000110.3N142 W145 H180 L181N142-L184 VanDerWaalsContact O-CD2 3.31Å; N142-L184 WeakPolarHBondContact O-CD2 3.12Å; W145-L184 HydrophobicContact CB-CD1 4.33Å; W145-L184 HydrophobicContact CD2-CD1 3.65Å; W145-L184 HydrophobicContact CE3-CD1 4.24Å; W145-L184 HydrophobicContact CG-CD1 3.71Å; W145-L184 HydrophobicContact CZ2-CB 4.27Å; W145-L184 HydrophobicContact CZ2-CD1 4.35Å; H180-L184 HydrophobicContact CB-CD1 4.21Å; H180-L184 WeakPolarHBondContact O-CB 3.49Å; H180-L184 PolarHBondContact O-N 3.18Å; L181-L184 WeakPolarHBondContact CA-O 3.42Å
185A90.2Very high95.2Very high72 Ų7235.3 Ų35.360%0.59522%0.224SC*.  trans-74.6-37.4-174.600000114.2
186A93.8Very high95.2Very high7 Ų732.5 Ų32.56%0.05820%0.201CC..SBendtrans-166.7157.8-176.100000111.4P69 R71 W145 Q188P69-A186 HydrophobicContact CB-CB 3.82Å; P69-A186 CarbonylContact O-C 3.59Å; P69-A186 WeakPolarHBondContact O-CA 3.28Å; P69-A186 WeakPolarHBondContact O-CB 3.33Å; R71-A186 HydrophobicContact CG-CB 3.83Å; W145-A186 PolarHBondContact NE1-O 3.4Å; A186-Q188 PolarHBondContact O-NE2 3.49Å
187L94.9Very high95.2Very high0 Ų031.5 Ų31.50%020%0.196CC..BIsolated β-bridgetrans-60.5141.6167-59.6171.3000110.5I68 P69 N70 R71 L79 W145 D193 V194I68-L187 HydrophobicContact CB-CD1 4.47Å; I68-L187 HydrophobicContact CG2-CD1 3.41Å; I68-L187 VanDerWaalsContact CG2-CD1 3.41Å; I68-L187 HydrophobicContact CG2-CG 3.87Å; P69-L187 PolarHBondContact O-N 2.98Å; N70-L187 HydrophobicContact CB-CB 4.4Å; R71-L187 PolarHBondContact N-O 3.47Å; L79-L187 HydrophobicContact CD2-CD1 3.53Å; W145-L187 HydrophobicContact CD2-CD2 3.72Å; W145-L187 VanDerWaalsContact CE2-CD2 3.44Å; W145-L187 HydrophobicContact CE3-CD2 3.88Å; W145-L187 HydrophobicContact CG-CD2 4.48Å; W145-L187 HydrophobicContact CH2-CD2 3.59Å; W145-L187 HydrophobicContact CH2-CG 4.41Å; W145-L187 HydrophobicContact CZ2-CD2 3.38Å; W145-L187 HydrophobicContact CZ2-CG 3.99Å; W145-L187 HydrophobicContact CZ3-CD2 3.82Å; L187-D193 HydrophobicContact CD2-CB 3.56Å; L187-V194 HydrophobicContact CD1-CG2 3.7Å; L187-V194 HydrophobicContact CD2-CG2 3.61Å; L187-V194 HydrophobicContact CG-CG2 4.34Å
188Q92.4Very high95.3Very high50 Ų5031.5 Ų31.523%0.23420%0.196CC..SBendtrans-104.8-34.7174.5-58-52.1-65.800111.5H72 W133 A186 D193H72-Q188 WeakPolarHBondContact CB-O 3.43Å; H72-Q188 PolarHBondContact CD2-O 2.83Å; H72-Q188 VanDerWaalsContact CD2-O 3.3Å; W133-Q188 HydrophobicContact CZ2-CB 4.13Å; A186-Q188 PolarHBondContact O-NE2 3.49Å; Q188-D193 WeakPolarHBondContact CA-OD2 3.48Å; Q188-D193 PolarHBondContact N-OD2 3.26Å
189L92.8Very high95.3Very high37 Ų3727.8 Ų27.819%0.19417%0.173CC..SBendtrans-117.332-179.7-57.5-175.7000112.6W133 Y134 D191 Q192 D193W133-L189 VanDerWaalsContact CD1-CD1 3.48Å; W133-L189 HydrophobicContact CD2-CD1 4.23Å; W133-L189 HydrophobicContact CG-CD1 4.05Å; W133-L189 HydrophobicContact CZ2-CD1 4.39Å; W133-L189 HydrophobicContact CZ2-CD2 4.11Å; W133-L189 HydrophobicContact CZ2-CG 4.13Å; W133-L189 VanDerWaalsContact NE1-CD1 3.26Å; Y134-L189 HydrophobicContact CE2-CD1 4.28Å; L189-D191 PolarHBondContact O-N 3.4Å; L189-Q192 HydrophobicContact CB-CB 4.05Å; L189-Q192 VanDerWaalsContact O-CB 3.23Å; L189-Q192 WeakPolarHBondContact O-CB 3.44Å; L189-Q192 PolarHBondContact O-N 2.86Å; L189-D193 PolarHBondContact N-OD2 2.67Å
190A95Very high95.3Very high0 Ų029.2 Ų29.20%017%0.17CC..THydrogen-bonded Turntrans50.2-126.2175.600000113.9H72 L79 Q192 D193H72-A190 HydrophobicContact CB-CB 3.94Å; L79-A190 HydrophobicContact CD2-CB 4Å; A190-Q192 PolarHBondContact O-N 3.45Å; A190-D193 PolarHBondContact O-N 2.96Å
191D96.8Very high95.5Very high10 Ų1029.8 Ų29.85%0.05318%0.179CC..Hα-helixtrans-58.9-30.2179.858.6-54.2000113.2G78 K81 L82 T154 L189 V194 L195G78-D191 VanDerWaalsContact O-CB 3.26Å; G78-D191 WeakPolarHBondContact O-CB 3.45Å; G78-D191 VanDerWaalsContact O-CG 3.24Å; G78-D191 VanDerWaalsContact O-OD1 3.05Å; K81-D191 HydrophobicContact CB-CB 4.41Å; K81-D191 VanDerWaalsContact CD-OD2 3.27Å; K81-D191 WeakPolarHBondContact CD-OD2 3.29Å; K81-D191 IonicContact NZ-OD2 3.91Å; K81-D191 PolarHBondContact NZ-OD2 3.25Å; L82-D191 HydrophobicContact CD1-CB 4.49Å; L82-D191 HydrophobicContact CD2-CB 4.15Å; L82-D191 HydrophobicContact CG-CB 4.05Å; T154-D191 WeakPolarHBondContact CB-OD2 3.27Å; T154-D191 PolarHBondContact OG1-OD2 3.34Å; L189-D191 PolarHBondContact O-N 3.4Å; D191-V194 PolarHBondContact O-N 2.95Å; D191-L195 WeakPolarHBondContact O-CB 3.43Å; D191-L195 PolarHBondContact O-N 3.42Å
192Q97.1Very high95.6Very high16 Ų1632.9 Ų32.98%0.07519%0.188CC..Hα-helixtrans-63.9-41.6179.7-171.2169.6-6600112N129 F152 N153 T154 L189 A190 V194 N196N129-Q192 PolarHBondContact ND2-NE2 2.93Å; N129-Q192 PolarHBondContact OD1-NE2 2.95Å; F152-Q192 WeakPolarHBondContact O-CG 3.45Å; N153-Q192 PolarHBondContact ND2-OE1 3.36Å; T154-Q192 HydrophobicContact CG2-CB 3.94Å; T154-Q192 HydrophobicContact CG2-CG 4.04Å; L189-Q192 HydrophobicContact CB-CB 4.05Å; L189-Q192 VanDerWaalsContact O-CB 3.23Å; L189-Q192 WeakPolarHBondContact O-CB 3.44Å; L189-Q192 PolarHBondContact O-N 2.86Å; A190-Q192 PolarHBondContact O-N 3.45Å; Q192-V194 VanDerWaalsContact C-N 3.34Å; Q192-N196 WeakPolarHBondContact CG-ND2 3.43Å; Q192-N196 VanDerWaalsContact O-CB 3.29Å; Q192-N196 WeakPolarHBondContact O-CB 3.32Å; Q192-N196 PolarHBondContact O-N 2.94Å; Q192-N196 PolarHBondContact O-ND2 3.05Å
193D97Very high95.9Very high1 Ų130 Ų301%0.00517%0.171CC..Hα-helixtrans-64.2-41.3175.9-80.5-16.8000111.4Y134 W145 L187 Q188 L189 A190 A197Y134-D193 WeakPolarHBondContact CE1-OD1 3.5Å; Y134-D193 PolarHBondContact OH-OD1 3.03Å; W145-D193 HydrophobicContact CB-CB 3.78Å; W145-D193 HydrophobicContact CD2-CB 4.03Å; W145-D193 HydrophobicContact CE3-CB 4.45Å; W145-D193 HydrophobicContact CG-CB 3.68Å; L187-D193 HydrophobicContact CD2-CB 3.56Å; Q188-D193 WeakPolarHBondContact CA-OD2 3.48Å; Q188-D193 PolarHBondContact N-OD2 3.26Å; L189-D193 PolarHBondContact N-OD2 2.67Å; A190-D193 PolarHBondContact O-N 2.96Å; D193-A197 WeakPolarHBondContact O-CB 3.28Å; D193-A197 PolarHBondContact O-N 3.09Å
194V98.2Very high96.2Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-65.9-49.8178.9-179.80000111.2L82 F173 V177 L187 D191 Q192 N196 A197 V198L82-V194 HydrophobicContact CD1-CB 3.86Å; L82-V194 HydrophobicContact CD1-CG1 3.86Å; L82-V194 HydrophobicContact CD1-CG2 3.82Å; L82-V194 HydrophobicContact CD2-CB 3.96Å; L82-V194 HydrophobicContact CD2-CG1 3.84Å; F173-V194 HydrophobicContact CB-CG1 3.85Å; F173-V194 HydrophobicContact CD2-CG1 4.18Å; F173-V194 HydrophobicContact CG-CG1 4.29Å; V177-V194 HydrophobicContact CG2-CB 4.27Å; V177-V194 HydrophobicContact CG2-CG1 3.67Å; V177-V194 HydrophobicContact CG2-CG2 3.76Å; L187-V194 HydrophobicContact CD1-CG2 3.7Å; L187-V194 HydrophobicContact CD2-CG2 3.61Å; L187-V194 HydrophobicContact CG-CG2 4.34Å; D191-V194 PolarHBondContact O-N 2.95Å; Q192-V194 VanDerWaalsContact C-N 3.34Å; V194-N196 VanDerWaalsContact C-N 3.32Å; V194-N196 PolarHBondContact O-N 3.14Å; V194-A197 PolarHBondContact O-N 3.44Å; V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CB 3.2Å; V194-V198 VanDerWaalsContact O-CG2 3.27Å; V194-V198 WeakPolarHBondContact O-CG2 3.44Å; V194-V198 PolarHBondContact O-N 3Å
195L98.3Very high96.4Very high3 Ų333.1 Ų33.12%0.01617%0.173CC..Hα-helixtrans-61.5-41.5179.5-83.3168.6000111.5L82 F124 T154 I157 W169 D191 V198 I199L82-L195 HydrophobicContact CD2-CG 4.02Å; F124-L195 HydrophobicContact CD1-CD2 4.31Å; F124-L195 HydrophobicContact CD2-CD2 4.42Å; F124-L195 HydrophobicContact CE1-CD2 3.89Å; F124-L195 HydrophobicContact CE2-CD2 4.01Å; F124-L195 HydrophobicContact CZ-CD2 3.71Å; T154-L195 HydrophobicContact CG2-CB 4.27Å; T154-L195 HydrophobicContact CG2-CD1 3.49Å; T154-L195 VanDerWaalsContact CG2-CD1 3.49Å; T154-L195 HydrophobicContact CG2-CG 4.49Å; I157-L195 HydrophobicContact CD1-CD1 4.1Å; W169-L195 HydrophobicContact CH2-CD2 3.61Å; W169-L195 HydrophobicContact CZ2-CD2 3.93Å; D191-L195 WeakPolarHBondContact O-CB 3.43Å; D191-L195 PolarHBondContact O-N 3.42Å; L195-V198 PolarHBondContact O-N 2.91Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 WeakPolarHBondContact O-CD1 3.46Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 2.87Å
196N98.4Very high96.8Very high1 Ų131.1 Ų31.11%0.00515%0.151CC..Hα-helixtrans-65.1-42.2176.7-83-62.9000113.1Y134 P146 A147 G151 F152 Q192 V194 V198 I199 K200Y134-N196 HydrophobicContact CE1-CB 4.42Å; Y134-N196 PolarHBondContact OH-ND2 2.83Å; P146-N196 CarbonylContact O-C 3.53Å; P146-N196 VanDerWaalsContact O-C 3.25Å; A147-N196 HydrophobicContact CB-CB 3.8Å; G151-N196 WeakPolarHBondContact CA-OD1 3.28Å; F152-N196 PolarHBondContact N-ND2 3.43Å; F152-N196 PolarHBondContact N-OD1 3.22Å; F152-N196 PolarHBondContact O-ND2 3Å; Q192-N196 WeakPolarHBondContact CG-ND2 3.43Å; Q192-N196 VanDerWaalsContact O-CB 3.29Å; Q192-N196 WeakPolarHBondContact O-CB 3.32Å; Q192-N196 PolarHBondContact O-N 2.94Å; Q192-N196 PolarHBondContact O-ND2 3.05Å; V194-N196 VanDerWaalsContact C-N 3.32Å; V194-N196 PolarHBondContact O-N 3.14Å; N196-V198 VanDerWaalsContact C-N 3.32Å; N196-V198 PolarHBondContact O-N 3.47Å; N196-I199 PolarHBondContact O-N 2.86Å; N196-K200 WeakPolarHBondContact O-CB 3.28Å; N196-K200 PolarHBondContact O-N 3.32Å
197A98Very high97Very high0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-64.3-39.4177.400000112.1W145 P146 I176 D193 V194 K200 S201W145-A197 HydrophobicContact CE3-CB 4.2Å; P146-A197 HydrophobicContact CG-CB 3.79Å; P146-A197 VanDerWaalsContact O-CA 3.3Å; P146-A197 WeakPolarHBondContact O-CA 3.42Å; P146-A197 PolarHBondContact O-N 2.77Å; P146-A197 VanDerWaalsContact O-N 3.15Å; I176-A197 HydrophobicContact CG2-CB 3.79Å; D193-A197 WeakPolarHBondContact O-CB 3.28Å; D193-A197 PolarHBondContact O-N 3.09Å; V194-A197 PolarHBondContact O-N 3.44Å; A197-K200 PolarHBondContact O-N 2.78Å; A197-S201 PolarHBondContact O-N 3.12Å; A197-S201 VanDerWaalsContact O-N 3.15Å; A197-S201 PolarHBondContact O-OG 3.41Å
198V98.5Very high97.2Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-67.6-44.8175.61730000111W169 I172 F173 I176 V194 L195 N196 K200 S201 Y202 M205W169-V198 HydrophobicContact CH2-CB 4.35Å; W169-V198 HydrophobicContact CH2-CG1 4.02Å; W169-V198 HydrophobicContact CH2-CG2 4.31Å; W169-V198 HydrophobicContact CZ3-CB 4.43Å; W169-V198 HydrophobicContact CZ3-CG1 3.62Å; I172-V198 HydrophobicContact CG2-CG1 4.04Å; F173-V198 HydrophobicContact CB-CG2 3.93Å; I176-V198 HydrophobicContact CB-CG2 3.97Å; I176-V198 HydrophobicContact CG1-CG2 4.04Å; I176-V198 HydrophobicContact CG2-CG2 4Å; V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CB 3.2Å; V194-V198 VanDerWaalsContact O-CG2 3.27Å; V194-V198 WeakPolarHBondContact O-CG2 3.44Å; V194-V198 PolarHBondContact O-N 3Å; L195-V198 PolarHBondContact O-N 2.91Å; N196-V198 VanDerWaalsContact C-N 3.32Å; N196-V198 PolarHBondContact O-N 3.47Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 2.64Å; V198-S201 PolarHBondContact O-N 3.38Å; V198-S201 VanDerWaalsContact O-N 3.14Å; V198-Y202 HydrophobicContact CG1-CD2 4.22Å; V198-Y202 WeakPolarHBondContact O-CD2 3.47Å; V198-Y202 PolarHBondContact O-N 3.35Å; V198-M205 HydrophobicContact CG1-CE 3.22Å
199I98.4Very high97.5Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..Hα-helixtrans-63-38176-71.9166.7000111.3L126 L148 F152 L195 N196 S201 Y202 P203 H206L126-I199 HydrophobicContact CD1-CD1 3.47Å; L126-I199 VanDerWaalsContact CD1-CD1 3.47Å; L148-I199 HydrophobicContact CD1-CG2 3.61Å; L148-I199 HydrophobicContact CG-CG2 4.24Å; F152-I199 HydrophobicContact CD2-CD1 4.21Å; F152-I199 HydrophobicContact CD2-CG2 4.3Å; F152-I199 HydrophobicContact CE2-CG2 4.03Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 WeakPolarHBondContact O-CD1 3.46Å; L195-I199 WeakPolarHBondContact O-CG1 3.24Å; L195-I199 PolarHBondContact O-N 2.87Å; N196-I199 PolarHBondContact O-N 2.86Å; I199-S201 VanDerWaalsContact C-N 3.27Å; I199-S201 PolarHBondContact O-N 3.19Å; I199-Y202 CarbonylContact O-C 3.48Å; I199-Y202 PolarHBondContact O-N 3.22Å; I199-P203 WeakPolarHBondContact O-CA 3.26Å; I199-P203 WeakPolarHBondContact O-CD 3.21Å; I199-H206 HydrophobicContact CD1-CB 3.95Å; I199-H206 HydrophobicContact CG1-CB 4.09Å; I199-H206 HydrophobicContact CG2-CB 4Å
200K97.6Very high97.7Very high100 Ų10035.6 Ų35.644%0.43518%0.179SC..Hα-helixtrans-60.2-39.4174-178.158.6166.8-157.60112.2P146 A147 L148 N196 A197 V198P146-K200 HydrophobicContact CB-CG 4.26Å; A147-K200 WeakPolarHBondContact O-CD 3.31Å; A147-K200 PolarHBondContact O-NZ 3.03Å; L148-K200 HydrophobicContact CD2-CD 3.45Å; L148-K200 VanDerWaalsContact CD2-CD 3.45Å; L148-K200 HydrophobicContact CG-CD 4.05Å; N196-K200 WeakPolarHBondContact O-CB 3.28Å; N196-K200 PolarHBondContact O-N 3.32Å; A197-K200 PolarHBondContact O-N 2.78Å; V198-K200 VanDerWaalsContact C-N 3.32Å; V198-K200 PolarHBondContact O-N 2.64Å
201S98Very high97.8Very high54 Ų5437.1 Ų37.138%0.37819%0.19SC..Hα-helixtrans-77.2-30.9179-55.70000112.7I176 A197 V198 I199I176-S201 WeakPolarHBondContact CD1-OG 3.45Å; A197-S201 PolarHBondContact O-N 3.12Å; A197-S201 VanDerWaalsContact O-N 3.15Å; A197-S201 PolarHBondContact O-OG 3.41Å; V198-S201 PolarHBondContact O-N 3.38Å; V198-S201 VanDerWaalsContact O-N 3.14Å; I199-S201 VanDerWaalsContact C-N 3.27Å; I199-S201 PolarHBondContact O-N 3.19Å
202Y97.8Very high97.8Very high112 Ų11237.2 Ų37.244%0.43919%0.192SC..  trans-130.970.8179.2-56.7-85.5000111.5I172 I176 V198 I199 K204 M205I172-Y202 HydrophobicContact CG2-CD2 4.22Å; I172-Y202 HydrophobicContact CG2-CE2 3.75Å; I176-Y202 HydrophobicContact CD1-CE2 4.24Å; I176-Y202 HydrophobicContact CG1-CE2 4.36Å; V198-Y202 HydrophobicContact CG1-CD2 4.22Å; V198-Y202 WeakPolarHBondContact O-CD2 3.47Å; V198-Y202 PolarHBondContact O-N 3.35Å; I199-Y202 CarbonylContact O-C 3.48Å; I199-Y202 PolarHBondContact O-N 3.22Å; Y202-K204 PolarHBondContact O-N 3.44Å; Y202-M205 VanDerWaalsContact CB-CE 3.43Å; Y202-M205 HydrophobicContact CD2-CE 3.95Å; Y202-M205 HydrophobicContact CG-CE 3.95Å; Y202-M205 HydrophobicContact CG-SD 4.28Å; Y202-M205 WeakPolarHBondContact O-CB 3.42Å; Y202-M205 PolarHBondContact O-N 2.79Å
203P97.6Very high97.9Very high59 Ų5937.7 Ų37.738%0.38319%0.193SC..G310 helixtrans-57.5-28.7-172.4-29.137000114.4L148 I199 M205 H206L148-P203 HydrophobicContact CD1-CB 3.88Å; L148-P203 HydrophobicContact CD1-CG 4.28Å; L148-P203 HydrophobicContact CD2-CG 4.34Å; I199-P203 WeakPolarHBondContact O-CA 3.26Å; I199-P203 WeakPolarHBondContact O-CD 3.21Å; P203-M205 PolarHBondContact O-N 3.1Å; P203-H206 PolarHBondContact O-CE1 3.19Å; P203-H206 PolarHBondContact O-N 2.52Å; P203-H206 PolarHBondContact O-ND1 3.06Å
204K97.3Very high97.9Very high159 Ų15937.7 Ų37.769%0.69119%0.193SC*.G310 helixtrans-69.3-10.8-179.7-63.3-175.4179.4179.30114.2T121 Q122 Y202T121-K204 CarbonylContact C-O 3.47Å; T121-K204 PolarHBondContact OG1-O 2.75Å; Q122-K204 VanDerWaalsContact CG-O 3.29Å; Q122-K204 WeakPolarHBondContact CG-O 3.39Å; Y202-K204 PolarHBondContact O-N 3.44Å
205M97.1Very high97.7Very high13 Ų1338.5 Ų38.56%0.06420%0.196CC..G310 helixtrans-77.9-18.3179.7-64.8-165.3-49.800113.9Q122 T123 F124 V198 Y202 P203Q122-M205 CarbonylContact C-O 3.58Å; Q122-M205 WeakPolarHBondContact CA-O 3.47Å; T123-M205 PolarHBondContact N-O 3Å; T123-M205 PolarHBondContact OG1-O 3.48Å; F124-M205 PolarHBondContact N-O 3.3Å; V198-M205 HydrophobicContact CG1-CE 3.22Å; Y202-M205 VanDerWaalsContact CB-CE 3.43Å; Y202-M205 HydrophobicContact CD2-CE 3.95Å; Y202-M205 HydrophobicContact CG-CE 3.95Å; Y202-M205 HydrophobicContact CG-SD 4.28Å; Y202-M205 WeakPolarHBondContact O-CB 3.42Å; Y202-M205 PolarHBondContact O-N 2.79Å; P203-M205 PolarHBondContact O-N 3.1Å
206H97.7Very high97.5Very high30 Ų3038.6 Ų38.614%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-103.7150.2-176.988.5-72.3000113Q122 F124 F152 I199 P203 T208Q122-H206 WeakPolarHBondContact CG-O 3.18Å; Q122-H206 PolarHBondContact NE2-O 3.42Å; F124-H206 CarbonylContact O-C 3.09Å; F124-H206 VanDerWaalsContact O-CA 3.32Å; F124-H206 WeakPolarHBondContact O-CA 3.31Å; F152-H206 AromaticContact CE1-CD2 3.67Å; F152-H206 AromaticContact CE1-NE2 3.99Å; F152-H206 AromaticContact CE2-CD2 3.72Å; F152-H206 AromaticContact CE2-NE2 3.85Å; F152-H206 AromaticContact CZ-CD2 3.22Å; F152-H206 WeakPolarHBondContact CZ-CD2 3.45Å; F152-H206 AromaticContact CZ-NE2 3.23Å; F152-H206 WeakPolarHBondContact CZ-NE2 3.36Å; I199-H206 HydrophobicContact CD1-CB 3.95Å; I199-H206 HydrophobicContact CG1-CB 4.09Å; I199-H206 HydrophobicContact CG2-CB 4Å; P203-H206 PolarHBondContact O-CE1 3.19Å; P203-H206 PolarHBondContact O-N 2.52Å; P203-H206 PolarHBondContact O-ND1 3.06Å; H206-T208 PolarHBondContact NE2-OG1 2.98Å
207Y98.5Very high96.9Very high44 Ų4439.4 Ų39.417%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-119.4124.9166.9179.4-85.6000108.1R117 F118 F124 G125 L126 L209R117-Y207 HydrophobicContact CB-CE2 3.97Å; R117-Y207 WeakPolarHBondContact CD-OH 3.42Å; F118-Y207 HydrophobicContact CD1-CD1 4.12Å; F118-Y207 AromaticContact CD1-CD2 3.9Å; F118-Y207 HydrophobicContact CD1-CD2 3.9Å; F118-Y207 AromaticContact CD1-CG 3.66Å; F118-Y207 HydrophobicContact CD1-CG 3.66Å; F118-Y207 VanDerWaalsContact CE1-CB 3.49Å; F118-Y207 AromaticContact CE1-CD1 3.58Å; F118-Y207 HydrophobicContact CE1-CD1 3.58Å; F118-Y207 HydrophobicContact CE1-CD2 4.19Å; F118-Y207 HydrophobicContact CE1-CE1 4.36Å; F118-Y207 AromaticContact CE1-CG 3.48Å; F118-Y207 HydrophobicContact CE1-CG 3.48Å; F118-Y207 VanDerWaalsContact CE1-CG 3.48Å; F118-Y207 HydrophobicContact CZ-CD1 4.49Å; F118-Y207 HydrophobicContact CZ-CG 4.39Å; F124-Y207 PolarHBondContact O-N 3.28Å; G125-Y207 VanDerWaalsContact CA-O 3.29Å; G125-Y207 WeakPolarHBondContact CA-O 3.48Å; L126-Y207 PolarHBondContact N-O 2.73Å; Y207-L209 HydrophobicContact CD1-CD2 3.85Å; Y207-L209 HydrophobicContact CE1-CD2 3.98Å; Y207-L209 PolarHBondContact O-N 3.36Å
208T98.3Very high96.2Very high73 Ų7341.1 Ų41.145%0.44821%0.209SC..EExtended strand (participates in β ladder)trans-77.7118178.3-54.10000110.6F152 H206F152-T208 HydrophobicContact CE1-CG2 4.21Å; H206-T208 PolarHBondContact NE2-OG1 2.98Å
209L98.5Very high95.2Very high5 Ų547.7 Ų47.73%0.02624%0.244CC..PPolyproline II helixtrans-82.5150.5174.3-63.1176.5000110.9L111 L114 G125 L126 V127 L158 Y207L111-L209 HydrophobicContact CD1-CD1 4.09Å; L111-L209 HydrophobicContact CD1-CD2 4.24Å; L114-L209 HydrophobicContact CB-CD2 4.43Å; L114-L209 HydrophobicContact CD1-CD2 3.66Å; G125-L209 VanDerWaalsContact C-CD1 3.43Å; G125-L209 WeakPolarHBondContact O-CD1 3.27Å; L126-L209 PolarHBondContact O-N 2.89Å; V127-L209 HydrophobicContact CG2-CB 3.58Å; V127-L209 HydrophobicContact CG2-CD1 4.39Å; L158-L209 HydrophobicContact CD1-CD2 3.9Å; L158-L209 HydrophobicContact CG-CD1 4.36Å; Y207-L209 HydrophobicContact CD1-CD2 3.85Å; Y207-L209 HydrophobicContact CE1-CD2 3.98Å; Y207-L209 PolarHBondContact O-N 3.36Å
210P97.8Very high94.3Very high66 Ų6653.4 Ų53.443%0.42927%0.271SS..PPolyproline II helixtrans-57.6139.6171.9-23.632.5000112.3V127 A212 Y213V127-P210 WeakPolarHBondContact CG2-O 3.43Å; P210-A212 PolarHBondContact O-N 3.48Å; P210-A212 VanDerWaalsContact O-N 3.08Å; P210-Y213 HydrophobicContact CB-CD2 3.97Å; P210-Y213 HydrophobicContact CB-CE2 4.31Å; P210-Y213 HydrophobicContact CG-CD2 4.03Å; P210-Y213 HydrophobicContact CG-CE2 4.05Å; P210-Y213 PolarHBondContact O-N 3.09Å
211C97.1Very high93.5Very high32 Ų3250 Ų5022%0.21626%0.261CS..G310 helixtrans-57.6-29.2-175.868.90000114.2V127 L130 Y213 N214 F215 C226V127-C211 HydrophobicContact CG1-CB 4.34Å; L130-C211 HydrophobicContact CD2-CB 4.35Å; C211-Y213 PolarHBondContact O-N 3.1Å; C211-Y213 VanDerWaalsContact O-N 3.08Å; C211-N214 CarbonylContact O-C 3.45Å; C211-N214 VanDerWaalsContact O-C 3.31Å; C211-N214 PolarHBondContact O-N 3.41Å; C211-F215 PolarHBondContact O-N 2.93Å; C211-C226 HydrophobicContact CB-CB 3.66Å; C211-C226 WeakPolarHBondContact CB-SG 3.22Å; C211-C226 WeakPolarHBondContact SG-CA 3.5Å; C211-C226 WeakPolarHBondContact SG-CB 3.32Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 3.04Å
212A97Very high92.7Very high12 Ų1252.6 Ų52.610%0.09926%0.263CS..G310 helixtrans-59.1-21.4177.400000114.2P210 N214 K234 I235P210-A212 PolarHBondContact O-N 3.48Å; P210-A212 VanDerWaalsContact O-N 3.08Å; A212-N214 VanDerWaalsContact C-N 3.35Å; A212-K234 HydrophobicContact CB-CG 4.21Å; A212-K234 WeakPolarHBondContact O-CA 3.49Å; A212-K234 WeakPolarHBondContact O-CB 3.38Å; A212-K234 PolarHBondContact O-N 3.38Å; A212-I235 PolarHBondContact O-N 2.74Å
213Y98.3Very high91.8Very high27 Ų2753.2 Ų53.211%0.10627%0.27CS..G310 helixtrans-860.2177.3-70.8-69.5000114.2L111 L114 V156 P210 C211 K234 I235L111-Y213 HydrophobicContact CB-CD1 3.91Å; L111-Y213 HydrophobicContact CB-CE1 3.69Å; L111-Y213 HydrophobicContact CD1-CD1 3.96Å; L111-Y213 HydrophobicContact CD1-CD2 4.3Å; L111-Y213 HydrophobicContact CD1-CE1 4.34Å; L111-Y213 HydrophobicContact CD1-CG 3.94Å; L111-Y213 HydrophobicContact CD2-CD1 4.03Å; L111-Y213 HydrophobicContact CG-CD1 4.17Å; L111-Y213 HydrophobicContact CG-CE1 4.42Å; L114-Y213 HydrophobicContact CD1-CE2 4.12Å; V156-Y213 WeakPolarHBondContact CG2-O 3.19Å; P210-Y213 HydrophobicContact CB-CD2 3.97Å; P210-Y213 HydrophobicContact CB-CE2 4.31Å; P210-Y213 HydrophobicContact CG-CD2 4.03Å; P210-Y213 HydrophobicContact CG-CE2 4.05Å; P210-Y213 PolarHBondContact O-N 3.09Å; C211-Y213 PolarHBondContact O-N 3.1Å; C211-Y213 VanDerWaalsContact O-N 3.08Å; Y213-K234 HydrophobicContact CD1-CB 3.72Å; Y213-K234 HydrophobicContact CD1-CG 4.18Å; Y213-K234 HydrophobicContact CE1-CB 3.91Å; Y213-K234 HydrophobicContact CE1-CG 3.96Å; Y213-K234 HydrophobicContact CG-CB 4.45Å; Y213-I235 WeakPolarHBondContact O-CB 3.42Å
214N97.1Very high91.3Very high0 Ų055 Ų550%028%0.276CS..SBendtrans-159.266.6171-169.71.4000108.5V127 N153 V156 C211 A212 Q216 H237V127-N214 HydrophobicContact CB-CB 3.61Å; V127-N214 HydrophobicContact CG1-CB 3.92Å; V127-N214 HydrophobicContact CG2-CB 3.56Å; N153-N214 WeakPolarHBondContact CB-ND2 3.18Å; N153-N214 PolarHBondContact OD1-ND2 2.9Å; V156-N214 HydrophobicContact CB-CB 4.14Å; V156-N214 HydrophobicContact CG2-CB 4.01Å; C211-N214 CarbonylContact O-C 3.45Å; C211-N214 VanDerWaalsContact O-C 3.31Å; C211-N214 PolarHBondContact O-N 3.41Å; A212-N214 VanDerWaalsContact C-N 3.35Å; N214-Q216 PolarHBondContact O-N 3.44Å; N214-Q216 PolarHBondContact O-NE2 3.12Å; N214-H237 WeakPolarHBondContact OD1-CB 3.45Å; N214-H237 PolarHBondContact OD1-ND1 2.84Å
215F95Very high91Very high17 Ų1749.8 Ų49.88%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-74.5103.9-179.1-171.2-91.8000109.4C211 I217 C226 V228 V233 I235 H237 F254C211-F215 PolarHBondContact O-N 2.93Å; F215-I217 HydrophobicContact CD1-CG1 4.12Å; F215-I217 HydrophobicContact CE1-CG1 4.21Å; F215-C226 HydrophobicContact CD2-CB 4.29Å; F215-C226 HydrophobicContact CE2-CB 4.21Å; F215-V228 HydrophobicContact CD2-CG2 4.23Å; F215-V228 HydrophobicContact CE2-CG2 4.24Å; F215-V233 HydrophobicContact CB-CG1 3.54Å; F215-V233 HydrophobicContact CB-CG2 4.17Å; F215-V233 HydrophobicContact CD1-CG1 4.41Å; F215-V233 HydrophobicContact CD1-CG2 4.28Å; F215-V233 HydrophobicContact CD2-CG2 3.7Å; F215-V233 HydrophobicContact CE2-CG2 4.13Å; F215-V233 HydrophobicContact CG-CG1 3.97Å; F215-V233 HydrophobicContact CG-CG2 3.78Å; F215-I235 WeakPolarHBondContact CB-O 3.4Å; F215-I235 PolarHBondContact N-O 2.95Å; F215-H237 PolarHBondContact O-N 3.44Å; F215-F254 HydrophobicContact CD1-CE2 4.08Å; F215-F254 HydrophobicContact CD1-CZ 4.3Å; F215-F254 AromaticContact CE1-CE2 3.72Å; F215-F254 HydrophobicContact CE1-CE2 3.72Å; F215-F254 HydrophobicContact CE1-CZ 4.23Å
216Q92.7Very high90.9Very high5 Ų549.4 Ų49.42%0.02325%0.254CS..EExtended strand (participates in β ladder)trans-84.4125.7-170-69151.157.600111.3E128 L130 N214 A221 H237E128-Q216 PolarHBondContact O-NE2 3.5Å; L130-Q216 HydrophobicContact CB-CB 4.29Å; L130-Q216 HydrophobicContact CD1-CB 4.2Å; L130-Q216 HydrophobicContact CG-CB 4.31Å; N214-Q216 PolarHBondContact O-N 3.44Å; N214-Q216 PolarHBondContact O-NE2 3.12Å; Q216-A221 WeakPolarHBondContact O-CB 3.45Å; Q216-H237 WeakPolarHBondContact CA-O 3.46Å
217I87Confident90.5Very high19 Ų1955.7 Ų55.710%0.09729%0.288CS..  trans-113.4111.9175.6-56.9179.9000108.9F215 V236 H237 W238 N239 F254F215-I217 HydrophobicContact CD1-CG1 4.12Å; F215-I217 HydrophobicContact CE1-CG1 4.21Å; I217-V236 HydrophobicContact CD1-CG1 3.43Å; I217-V236 VanDerWaalsContact CD1-CG1 3.43Å; I217-V236 HydrophobicContact CG1-CG1 4.14Å; I217-H237 PolarHBondContact N-O 3.25Å; I217-W238 HydrophobicContact CD1-CZ2 4.48Å; I217-N239 PolarHBondContact O-N 3.38Å; I217-F254 HydrophobicContact CD1-CB 3.99Å; I217-F254 HydrophobicContact CD1-CD2 3.6Å; I217-F254 HydrophobicContact CD1-CE2 4.39Å; I217-F254 HydrophobicContact CD1-CG 4.02Å
218H83.1Confident90.2Very high35 Ų3555.4 Ų55.416%0.16229%0.291CS..SBendtrans-163.3167.4172.763.696.6000110.3E220 A221H218-E220 PolarHBondContact ND1-N 3.32Å; H218-E220 PolarHBondContact O-N 3.32Å; H218-A221 PolarHBondContact CE1-N 3.38Å; H218-A221 PolarHBondContact ND1-N 3.46Å; H218-A221 WeakPolarHBondContact O-CB 3.34Å; H218-A221 PolarHBondContact O-N 2.92Å
219N77.8Confident89.8Confident138 Ų13854.7 Ų54.774%0.73829%0.289SS*.THydrogen-bonded Turntrans-57.8-23.9-174.3-59.912.3000115.3V246N219-V246 WeakPolarHBondContact OD1-CG1 3.25Å
220E78.2Confident89.3Confident122 Ų12257.6 Ų57.657%0.5730%0.303SS*.THydrogen-bonded Turntrans-107.38-178.8-61.6-178.2-178.200112.2H218H218-E220 PolarHBondContact ND1-N 3.32Å; H218-E220 PolarHBondContact O-N 3.32Å
221A81.4Confident88.9Confident28 Ų2863.4 Ų63.423%0.23132%0.321CS..  trans-69.5136.9179.400000109.9L130 Q216 H218L130-A221 CarbonylContact O-C 3.45Å; L130-A221 WeakPolarHBondContact O-CA 3.35Å; Q216-A221 WeakPolarHBondContact O-CB 3.45Å; H218-A221 PolarHBondContact CE1-N 3.38Å; H218-A221 PolarHBondContact ND1-N 3.46Å; H218-A221 WeakPolarHBondContact O-CB 3.34Å; H218-A221 PolarHBondContact O-N 2.92Å
222R81.5Confident88.8Confident108 Ų10867 Ų6741%0.40834%0.335SS..  trans-105.897.1179-71.9-68.1-59.5-93.4-6.9108.6L130 D224 L225L130-R222 PolarHBondContact O-N 3.46Å; R222-D224 WeakPolarHBondContact CB-OD1 3.42Å; R222-D224 IonicContact CZ-OD1 3.98Å; R222-D224 IonicContact CZ-OD2 3.12Å; R222-D224 IonicContact NE-OD1 3.83Å; R222-D224 PolarHBondContact NE-OD1 3.32Å; R222-D224 IonicContact NE-OD2 3.93Å; R222-D224 VanDerWaalsContact NH2-CG 3.31Å; R222-D224 IonicContact NH2-OD1 3.22Å; R222-D224 PolarHBondContact NH2-OD1 2.91Å; R222-D224 IonicContact NH2-OD2 3.81Å; R222-D224 PolarHBondContact NH2-OD2 3.43Å; R222-D224 PolarHBondContact O-N 2.54Å; R222-L225 HydrophobicContact CB-CB 4.49Å; R222-L225 HydrophobicContact CB-CD1 3.67Å; R222-L225 HydrophobicContact CB-CG 3.75Å; R222-L225 HydrophobicContact CG-CD1 4.4Å; R222-L225 WeakPolarHBondContact O-CB 3.38Å; R222-L225 PolarHBondContact O-N 3.22Å
223E78.7Confident88.7Confident126 Ų12666.6 Ų66.659%0.58933%0.331SS*.G310 helixtrans-57.3-32.2179.8-64.6-176.2172.500112.3L225 C226E223-L225 PolarHBondContact O-N 2.79Å; E223-C226 CarbonylContact O-C 3.5Å; E223-C226 PolarHBondContact O-N 2.79Å
224D86.4Confident88.6Confident96 Ų9668.2 Ų68.251%0.51334%0.339SS..G310 helixtrans-63.1-20.8178.161.7-66.3000114R222 C226R222-D224 WeakPolarHBondContact CB-OD1 3.42Å; R222-D224 IonicContact CZ-OD1 3.98Å; R222-D224 IonicContact CZ-OD2 3.12Å; R222-D224 IonicContact NE-OD1 3.83Å; R222-D224 PolarHBondContact NE-OD1 3.32Å; R222-D224 IonicContact NE-OD2 3.93Å; R222-D224 VanDerWaalsContact NH2-CG 3.31Å; R222-D224 IonicContact NH2-OD1 3.22Å; R222-D224 PolarHBondContact NH2-OD1 2.91Å; R222-D224 IonicContact NH2-OD2 3.81Å; R222-D224 PolarHBondContact NH2-OD2 3.43Å; R222-D224 PolarHBondContact O-N 2.54Å; D224-C226 VanDerWaalsContact C-N 3.29Å
225L92.6Very high88.7Confident50 Ų5068.2 Ų68.226%0.26234%0.339SS..G310 helixtrans-77.1-15.3175.9-62.7179.8000113.1L130 R222 E223L130-L225 HydrophobicContact CD2-CB 3.92Å; R222-L225 HydrophobicContact CB-CB 4.49Å; R222-L225 HydrophobicContact CB-CD1 3.67Å; R222-L225 HydrophobicContact CB-CG 3.75Å; R222-L225 HydrophobicContact CG-CD1 4.4Å; R222-L225 WeakPolarHBondContact O-CB 3.38Å; R222-L225 PolarHBondContact O-N 3.22Å; E223-L225 PolarHBondContact O-N 2.79Å
226C93.5Very high88.7Confident4 Ų467.4 Ų67.43%0.02734%0.335CS..SBendtrans-130.679.4175.4-169.90000110.3L130 C211 F215 E223 D224 V228L130-C226 HydrophobicContact CD1-CB 3.84Å; L130-C226 HydrophobicContact CD2-CB 3.93Å; C211-C226 HydrophobicContact CB-CB 3.66Å; C211-C226 WeakPolarHBondContact CB-SG 3.22Å; C211-C226 WeakPolarHBondContact SG-CA 3.5Å; C211-C226 WeakPolarHBondContact SG-CB 3.32Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 3.04Å; F215-C226 HydrophobicContact CD2-CB 4.29Å; F215-C226 HydrophobicContact CE2-CB 4.21Å; E223-C226 CarbonylContact O-C 3.5Å; E223-C226 PolarHBondContact O-N 2.79Å; D224-C226 VanDerWaalsContact C-N 3.29Å; C226-V228 PolarHBondContact O-N 3.37Å; C226-V228 VanDerWaalsContact SG-CG2 3.56Å
227N90.8Very high88.8Confident162 Ų16267.1 Ų67.187%0.86633%0.334SS*.  trans-74.170.6-178.5-167.613.9000112.1
228V91.5Very high88.9Confident38 Ų3866.3 Ų66.323%0.2333%0.329CS..  trans-128.4143.4177.1-58.30000109.4F215 C226 Q232 V233F215-V228 HydrophobicContact CD2-CG2 4.23Å; F215-V228 HydrophobicContact CE2-CG2 4.24Å; C226-V228 PolarHBondContact O-N 3.37Å; C226-V228 VanDerWaalsContact SG-CG2 3.56Å; V228-Q232 HydrophobicContact CB-CB 4.06Å; V228-V233 HydrophobicContact CG2-CG2 3.83Å
229S90.2Very high88.7Confident58 Ų5866.6 Ų66.641%0.40633%0.332SS..  trans-69157.6171.866.10000111.3K231 Q232 V233S229-K231 PolarHBondContact O-N 2.87Å; S229-Q232 WeakPolarHBondContact O-CB 3.36Å; S229-Q232 PolarHBondContact O-N 3.34Å; S229-Q232 WeakPolarHBondContact OG-CG 3.48Å; S229-Q232 PolarHBondContact OG-OE1 3.17Å; S229-V233 PolarHBondContact O-N 3.31Å
230H87.6Confident88.5Confident67 Ų6760.8 Ų60.831%0.3130%0.303SS..THydrogen-bonded Turntrans-53.7-30.5176.5-61.4167.3000113.4Q232 Y253 F254H230-Q232 VanDerWaalsContact C-N 3.31Å; H230-Q232 PolarHBondContact O-N 2.99Å; H230-Y253 HydrophobicContact CB-CD1 3.86Å; H230-Y253 HydrophobicContact CB-CE1 3.9Å; H230-Y253 HydrophobicContact CB-CG 4.42Å; H230-F254 HydrophobicContact CB-CZ 4.11Å; H230-F254 AromaticContact CD2-CE2 3.92Å; H230-F254 AromaticContact CD2-CZ 3.94Å
231K89Confident87.5Confident187 Ų18763.8 Ų63.881%0.81331%0.31SS*.THydrogen-bonded Turntrans-73.8-19.6177.2-65.2-177.6179.7178.70113.8S229S229-K231 PolarHBondContact O-N 2.87Å
232Q94.7Very high86.6Confident107 Ų10763.6 Ų63.650%0.531%0.31SS..THydrogen-bonded Turntrans-92-16.8178.4-71.3168.6-63.100112.4V228 S229 H230 K234V228-Q232 HydrophobicContact CB-CB 4.06Å; S229-Q232 WeakPolarHBondContact O-CB 3.36Å; S229-Q232 PolarHBondContact O-N 3.34Å; S229-Q232 WeakPolarHBondContact OG-CG 3.48Å; S229-Q232 PolarHBondContact OG-OE1 3.17Å; H230-Q232 VanDerWaalsContact C-N 3.31Å; H230-Q232 PolarHBondContact O-N 2.99Å; Q232-K234 WeakPolarHBondContact O-CD 3.3Å; Q232-K234 WeakPolarHBondContact O-CG 2.99Å; Q232-K234 PolarHBondContact O-N 3.19Å
233V95.1Very high86.3Confident4 Ų459 Ų592%0.02429%0.293CS..  trans-60.6130173.1176.30000109.8L105 F215 V228 S229 V236 F254L105-V233 HydrophobicContact CD1-CG1 4.35Å; F215-V233 HydrophobicContact CB-CG1 3.54Å; F215-V233 HydrophobicContact CB-CG2 4.17Å; F215-V233 HydrophobicContact CD1-CG1 4.41Å; F215-V233 HydrophobicContact CD1-CG2 4.28Å; F215-V233 HydrophobicContact CD2-CG2 3.7Å; F215-V233 HydrophobicContact CE2-CG2 4.13Å; F215-V233 HydrophobicContact CG-CG1 3.97Å; F215-V233 HydrophobicContact CG-CG2 3.78Å; V228-V233 HydrophobicContact CG2-CG2 3.83Å; S229-V233 PolarHBondContact O-N 3.31Å; V233-V236 HydrophobicContact CG1-CG2 3.75Å; V233-F254 HydrophobicContact CB-CE1 4.06Å; V233-F254 HydrophobicContact CB-CZ 4.04Å; V233-F254 HydrophobicContact CG1-CE1 4.03Å; V233-F254 HydrophobicContact CG1-CZ 4.17Å; V233-F254 HydrophobicContact CG2-CE1 4.35Å; V233-F254 HydrophobicContact CG2-CZ 3.81Å
234K97.7Very high85.8Confident61 Ų6154.9 Ų54.927%0.26527%0.274SS..  trans-105.1-39.5-174.9-60.7-47.4-162.3162.80111.9L105 T106 A212 Y213 Q232L105-K234 PolarHBondContact N-O 3.11Å; T106-K234 HydrophobicContact CG2-CB 3.61Å; T106-K234 HydrophobicContact CG2-CD 3.73Å; T106-K234 HydrophobicContact CG2-CG 4.03Å; T106-K234 PolarHBondContact OG1-NZ 3.49Å; A212-K234 HydrophobicContact CB-CG 4.21Å; A212-K234 WeakPolarHBondContact O-CA 3.49Å; A212-K234 WeakPolarHBondContact O-CB 3.38Å; A212-K234 PolarHBondContact O-N 3.38Å; Y213-K234 HydrophobicContact CD1-CB 3.72Å; Y213-K234 HydrophobicContact CD1-CG 4.18Å; Y213-K234 HydrophobicContact CE1-CB 3.91Å; Y213-K234 HydrophobicContact CE1-CG 3.96Å; Y213-K234 HydrophobicContact CG-CB 4.45Å; Q232-K234 WeakPolarHBondContact O-CD 3.3Å; Q232-K234 WeakPolarHBondContact O-CG 2.99Å; Q232-K234 PolarHBondContact O-N 3.19Å
235I98Very high84.4Confident0 Ų057.4 Ų57.40%028%0.283CS..EExtended strand (participates in β ladder)trans-136.4125.7174.3-53.8-178.7000108.2L98 V102 L103 V104 L108 L111 V156 A212 Y213 F215L98-I235 HydrophobicContact CD2-CD1 4.31Å; V102-I235 HydrophobicContact CB-CG2 3.77Å; V102-I235 HydrophobicContact CG1-CG2 4.44Å; V102-I235 HydrophobicContact CG2-CG2 4.04Å; L103-I235 CarbonylContact O-C 3.58Å; L103-I235 VanDerWaalsContact O-CA 3.31Å; L103-I235 WeakPolarHBondContact O-CA 3.41Å; V104-I235 HydrophobicContact CG2-CD1 4.4Å; V104-I235 HydrophobicContact CG2-CG1 4.29Å; L108-I235 HydrophobicContact CD2-CD1 3.83Å; L108-I235 HydrophobicContact CD2-CG1 4.42Å; L111-I235 HydrophobicContact CD2-CD1 3.8Å; V156-I235 HydrophobicContact CG1-CD1 4.1Å; V156-I235 HydrophobicContact CG2-CD1 4.19Å; V156-I235 HydrophobicContact CG2-CG2 4.02Å; A212-I235 PolarHBondContact O-N 2.74Å; Y213-I235 WeakPolarHBondContact O-CB 3.42Å; F215-I235 WeakPolarHBondContact CB-O 3.4Å; F215-I235 PolarHBondContact N-O 2.95Å
236V95.1Very high82.8Confident0 Ų056 Ų560%028%0.276CS..EExtended strand (participates in β ladder)trans-95140.8173.9-176.50000108.5V102 L103 L105 I217 V233 W238 F254V102-V236 CarbonylContact C-O 3.54Å; V102-V236 WeakPolarHBondContact CA-O 3.4Å; V102-V236 WeakPolarHBondContact CB-O 3.17Å; L103-V236 HydrophobicContact CB-CB 4.37Å; L103-V236 PolarHBondContact N-O 3.48Å; L103-V236 PolarHBondContact O-N 2.99Å; L105-V236 HydrophobicContact CD1-CG2 3.64Å; L105-V236 HydrophobicContact CG-CG2 4.33Å; I217-V236 HydrophobicContact CD1-CG1 3.43Å; I217-V236 VanDerWaalsContact CD1-CG1 3.43Å; I217-V236 HydrophobicContact CG1-CG1 4.14Å; V233-V236 HydrophobicContact CG1-CG2 3.75Å; V236-W238 HydrophobicContact CB-CH2 4.22Å; V236-W238 HydrophobicContact CB-CZ3 4.1Å; V236-W238 HydrophobicContact CG1-CD2 4.26Å; V236-W238 HydrophobicContact CG1-CE3 4.02Å; V236-W238 HydrophobicContact CG1-CH2 3.67Å; V236-W238 HydrophobicContact CG1-CZ2 3.95Å; V236-W238 HydrophobicContact CG1-CZ3 3.71Å; V236-F254 HydrophobicContact CB-CD1 4.46Å; V236-F254 HydrophobicContact CG1-CB 4.18Å; V236-F254 HydrophobicContact CG1-CD1 4.35Å; V236-F254 HydrophobicContact CG1-CG 4.16Å; V236-F254 HydrophobicContact CG2-CB 4.48Å; V236-F254 HydrophobicContact CG2-CD1 3.31Å; V236-F254 HydrophobicContact CG2-CE1 3.57Å; V236-F254 HydrophobicContact CG2-CG 3.95Å; V236-F254 HydrophobicContact CG2-CZ 4.4Å
237H94.1Very high81Confident0 Ų064 Ų640%031%0.313CS..EExtended strand (participates in β ladder)trans-135.9108.1-179.7-176.3-172.6000111.2D99 D101 V102 N153 G155 N214 F215 Q216 I217 N239D99-H237 IonicContact OD2-CE1 3.61Å; D99-H237 IonicContact OD2-NE2 3.26Å; D101-H237 IonicContact OD1-CD2 3.92Å; D101-H237 PolarHBondContact OD1-CD2 3.39Å; D101-H237 IonicContact OD1-NE2 2.81Å; D101-H237 PolarHBondContact OD1-NE2 2.78Å; V102-H237 HydrophobicContact CG1-CB 4.06Å; N153-H237 PolarHBondContact OD1-CE1 2.86Å; N153-H237 PolarHBondContact OD1-ND1 2.49Å; G155-H237 WeakPolarHBondContact CA-CE1 3.44Å; N214-H237 WeakPolarHBondContact OD1-CB 3.45Å; N214-H237 PolarHBondContact OD1-ND1 2.84Å; F215-H237 PolarHBondContact O-N 3.44Å; Q216-H237 WeakPolarHBondContact CA-O 3.46Å; I217-H237 PolarHBondContact N-O 3.25Å; H237-N239 VanDerWaalsContact C-N 3.33Å; H237-N239 PolarHBondContact CE1-ND2 3.02Å; H237-N239 PolarHBondContact CE1-OD1 3.16Å; H237-N239 PolarHBondContact ND1-ND2 3.15Å; H237-N239 PolarHBondContact NE2-ND2 2.91Å; H237-N239 PolarHBondContact NE2-OD1 3.45Å; H237-N239 VanDerWaalsContact NE2-OD1 3.16Å; H237-N239 PolarHBondContact O-N 2.87Å
238W89.2Confident79.4Confident1 Ų160.5 Ų60.50%0.00430%0.299CS..  trans-7981.6173.9-73-89.5000110.6L103 I217 V236 S240 K243 Q244 F254 Y258L103-W238 HydrophobicContact CB-CH2 4.29Å; L103-W238 HydrophobicContact CB-CZ3 3.71Å; L103-W238 HydrophobicContact CD2-CH2 3.98Å; L103-W238 HydrophobicContact CD2-CZ3 4.23Å; I217-W238 HydrophobicContact CD1-CZ2 4.48Å; V236-W238 HydrophobicContact CB-CH2 4.22Å; V236-W238 HydrophobicContact CB-CZ3 4.1Å; V236-W238 HydrophobicContact CG1-CD2 4.26Å; V236-W238 HydrophobicContact CG1-CE3 4.02Å; V236-W238 HydrophobicContact CG1-CH2 3.67Å; V236-W238 HydrophobicContact CG1-CZ2 3.95Å; V236-W238 HydrophobicContact CG1-CZ3 3.71Å; W238-S240 VanDerWaalsContact C-N 3.28Å; W238-S240 PolarHBondContact O-N 2.91Å; W238-K243 HydrophobicContact CB-CB 4.41Å; W238-K243 VanDerWaalsContact CD1-O 3.26Å; W238-K243 WeakPolarHBondContact O-CD 2.95Å; W238-Q244 HydrophobicContact CD2-CG 4.17Å; W238-Q244 HydrophobicContact CG-CG 4.34Å; W238-F254 HydrophobicContact CH2-CB 4.21Å; W238-F254 HydrophobicContact CZ2-CB 3.77Å; W238-Y258 HydrophobicContact CH2-CD2 4.13Å; W238-Y258 HydrophobicContact CH2-CG 4.31Å; W238-Y258 AromaticContact CZ3-CD2 3.94Å; W238-Y258 HydrophobicContact CZ3-CD2 3.94Å
239N79Confident78Confident42 Ų4259.5 Ų59.523%0.22529%0.294CS..  trans-9226.1-166.4-144.2-1.7000114.8N153 I217 H237N153-N239 VanDerWaalsContact CG-ND2 3.32Å; N153-N239 PolarHBondContact ND2-ND2 3.46Å; N153-N239 PolarHBondContact OD1-ND2 3.42Å; N153-N239 VanDerWaalsContact OD1-ND2 3.11Å; I217-N239 PolarHBondContact O-N 3.38Å; H237-N239 VanDerWaalsContact C-N 3.33Å; H237-N239 PolarHBondContact CE1-ND2 3.02Å; H237-N239 PolarHBondContact CE1-OD1 3.16Å; H237-N239 PolarHBondContact ND1-ND2 3.15Å; H237-N239 PolarHBondContact NE2-ND2 2.91Å; H237-N239 PolarHBondContact NE2-OD1 3.45Å; H237-N239 VanDerWaalsContact NE2-OD1 3.16Å; H237-N239 PolarHBondContact O-N 2.87Å
240S73.3Confident76.4Confident16 Ų1664.8 Ų64.811%0.11232%0.317CS..SBendtrans-102.8171.2177.5730000111.9W238 G242 K243 V246W238-S240 VanDerWaalsContact C-N 3.28Å; W238-S240 PolarHBondContact O-N 2.91Å; S240-G242 PolarHBondContact OG-N 3.33Å; S240-K243 WeakPolarHBondContact O-CD 3.11Å; S240-K243 WeakPolarHBondContact O-CE 3.44Å; S240-K243 WeakPolarHBondContact O-CG 3.37Å; S240-K243 PolarHBondContact O-N 2.77Å; S240-K243 PolarHBondContact O-NZ 3.5Å; S240-K243 VanDerWaalsContact O-NZ 3.16Å; S240-K243 PolarHBondContact OG-N 2.8Å; S240-V246 WeakPolarHBondContact OG-CG2 3.5Å
241Y58.1Low75.4Confident185 Ų18566.9 Ų66.973%0.72533%0.33SS*.SBendtrans-65.2-39.7170.7-177.4-96000112.5Y73 K243Y73-Y241 AromaticContact CD1-CD2 3.96Å; Y73-Y241 HydrophobicContact CD1-CD2 3.96Å; Y73-Y241 HydrophobicContact CD2-CD2 4.11Å; Y73-Y241 HydrophobicContact CD2-CE2 4.39Å; Y73-Y241 HydrophobicContact CE1-CD2 4.33Å; Y73-Y241 HydrophobicContact CE2-CD2 4.48Å; Y73-Y241 AromaticContact CG-CD2 3.85Å; Y73-Y241 HydrophobicContact CG-CD2 3.85Å; Y73-Y241 HydrophobicContact CG-CE2 4.21Å; Y241-K243 VanDerWaalsContact C-N 3.28Å; Y241-K243 PolarHBondContact O-N 3.31Å
242G63Low75Confident23 Ų2358.5 Ų58.524%0.23730%0.298CS..SBendtrans-73-17.617800000113.9S240 Q244 Q245S240-G242 PolarHBondContact OG-N 3.33Å; G242-Q244 PolarHBondContact O-N 3.05Å; G242-Q245 VanDerWaalsContact O-CB 3.24Å; G242-Q245 WeakPolarHBondContact O-CB 3.49Å; G242-Q245 PolarHBondContact O-N 3.49Å
243K75.1Confident74.7Confident12 Ų1257.2 Ų57.25%0.05229%0.289CS..G310 helixtrans56.9-118.2178.4-53.3-76.1175.9-161.70110.1R6 Y73 D101 W238 S240 Y241 Q245 V246R6-K243 VanDerWaalsContact NH2-CB 3.27Å; R6-K243 VanDerWaalsContact NH2-CG 3.34Å; Y73-K243 PolarHBondContact OH-NZ 2.87Å; Y73-K243 VanDerWaalsContact OH-NZ 3.08Å; D101-K243 HydrophobicContact CB-CD 4.19Å; D101-K243 WeakPolarHBondContact OD2-CD 3.3Å; D101-K243 WeakPolarHBondContact OD2-CE 3.47Å; D101-K243 IonicContact OD2-NZ 2.86Å; D101-K243 PolarHBondContact OD2-NZ 3.28Å; W238-K243 HydrophobicContact CB-CB 4.41Å; W238-K243 VanDerWaalsContact CD1-O 3.26Å; W238-K243 WeakPolarHBondContact O-CD 2.95Å; S240-K243 WeakPolarHBondContact O-CD 3.11Å; S240-K243 WeakPolarHBondContact O-CE 3.44Å; S240-K243 WeakPolarHBondContact O-CG 3.37Å; S240-K243 PolarHBondContact O-N 2.77Å; S240-K243 PolarHBondContact O-NZ 3.5Å; S240-K243 VanDerWaalsContact O-NZ 3.16Å; S240-K243 PolarHBondContact OG-N 2.8Å; Y241-K243 VanDerWaalsContact C-N 3.28Å; Y241-K243 PolarHBondContact O-N 3.31Å; K243-Q245 PolarHBondContact O-N 2.77Å; K243-V246 WeakPolarHBondContact O-CG2 3.22Å; K243-V246 PolarHBondContact O-N 3.03Å
244Q67.3Low74.4Confident39 Ų3957.1 Ų57.118%0.18229%0.288CS..G310 helixtrans-69.8-11.3175.9-6082.42.100114R6 W238 G242 V246 Y258R6-Q244 VanDerWaalsContact NH2-OE1 3.17Å; W238-Q244 HydrophobicContact CD2-CG 4.17Å; W238-Q244 HydrophobicContact CG-CG 4.34Å; G242-Q244 PolarHBondContact O-N 3.05Å; Q244-V246 VanDerWaalsContact C-N 3.32Å; Q244-Y258 HydrophobicContact CG-CD1 4.06Å; Q244-Y258 HydrophobicContact CG-CD2 4.25Å; Q244-Y258 HydrophobicContact CG-CE1 4.06Å; Q244-Y258 HydrophobicContact CG-CE2 4.25Å; Q244-Y258 HydrophobicContact CG-CG 4.17Å
245Q58.3Low74Confident150 Ų15055.5 Ų55.570%0.70128%0.281SS*.G310 helixtrans-88.42.1179.2-55.8-177.4-21.300113.5G242 K243G242-Q245 VanDerWaalsContact O-CB 3.24Å; G242-Q245 WeakPolarHBondContact O-CB 3.49Å; G242-Q245 PolarHBondContact O-N 3.49Å; K243-Q245 PolarHBondContact O-N 2.77Å
246V57.6Low73.6Confident20 Ų2062 Ų6212%0.12131%0.31CS..SBendtrans-63154.1169.5174.90000109.1N219 S240 K243 Q244 P248N219-V246 WeakPolarHBondContact OD1-CG1 3.25Å; S240-V246 WeakPolarHBondContact OG-CG2 3.5Å; K243-V246 WeakPolarHBondContact O-CG2 3.22Å; K243-V246 PolarHBondContact O-N 3.03Å; Q244-V246 VanDerWaalsContact C-N 3.32Å; V246-P248 VanDerWaalsContact O-N 3.14Å
247E55.8Low73.4Confident171 Ų17164.4 Ų64.480%0.79932%0.321SS*.  trans-44.6125.3170.8-78.9-175.2168.700109.3
248P56.9Low73.4Confident89 Ų8965 Ų6558%0.57832%0.324SS*.  trans-57.1149-174.918.1-27.5000109.8V246 E255V246-P248 VanDerWaalsContact O-N 3.14Å; P248-E255 WeakPolarHBondContact CA-OE1 3.4Å; P248-E255 HydrophobicContact CB-CG 4.38Å
249S62.1Low73.5Confident18 Ų1868 Ų6813%0.12634%0.34CS..  trans-46.3152.9162.560.90000110.1D251 G252 Y253 E255S249-D251 PolarHBondContact O-N 3.03Å; S249-G252 PolarHBondContact O-N 3.16Å; S249-G252 PolarHBondContact OG-N 2.82Å; S249-Y253 PolarHBondContact OG-N 3.34Å; S249-E255 PolarHBondContact N-OE1 2.94Å; S249-E255 PolarHBondContact OG-OE2 2.94Å
250L57.9Low74.3Confident169 Ų16968.7 Ų68.789%0.88535%0.351SS*.THydrogen-bonded Turntrans-44.7-31.2-171.1-123.1105.1000114.7
251D66.7Low75.3Confident110 Ų11068.7 Ų68.759%0.58835%0.349SS*.THydrogen-bonded Turntrans-112.2-3.1179.6-62.8-32000115.5S249 Y253 K256S249-D251 PolarHBondContact O-N 3.03Å; D251-Y253 PolarHBondContact O-N 3.2Å; D251-K256 PolarHBondContact O-NZ 3.38Å
252G80.1Confident77Confident12 Ų1260.2 Ų60.212%0.12432%0.317CS..  trans63.825-174.800000113.8S249 E255 K256S249-G252 PolarHBondContact O-N 3.16Å; S249-G252 PolarHBondContact OG-N 2.82Å; G252-E255 WeakPolarHBondContact CA-OE2 3.28Å; G252-K256 WeakPolarHBondContact O-CG 3.18Å; G252-K256 PolarHBondContact O-N 3.44Å; G252-K256 VanDerWaalsContact O-N 3.13Å
253Y87.5Confident78.5Confident80 Ų8062.7 Ų62.731%0.31432%0.322SS..Hα-helixtrans-65.1-48.3-170.5174.5-95.4000111.9H230 S249 D251 K256 M257H230-Y253 HydrophobicContact CB-CD1 3.86Å; H230-Y253 HydrophobicContact CB-CE1 3.9Å; H230-Y253 HydrophobicContact CB-CG 4.42Å; S249-Y253 PolarHBondContact OG-N 3.34Å; D251-Y253 PolarHBondContact O-N 3.2Å; Y253-K256 PolarHBondContact O-N 3.09Å; Y253-M257 HydrophobicContact CD1-CG 4.37Å; Y253-M257 HydrophobicContact CE1-CG 3.96Å; Y253-M257 WeakPolarHBondContact O-CG 3.34Å; Y253-M257 PolarHBondContact O-N 3.37Å
254F90.1Very high79.4Confident2 Ų264.3 Ų64.31%0.00933%0.331CS..Hα-helixtrans-73.4-30.5-176.6-64.1-60.5000112.3L105 F215 I217 H230 V233 V236 W238 M257 Y258L105-F254 HydrophobicContact CD1-CD1 4.28Å; L105-F254 HydrophobicContact CD1-CE1 4.1Å; F215-F254 HydrophobicContact CD1-CE2 4.08Å; F215-F254 HydrophobicContact CD1-CZ 4.3Å; F215-F254 AromaticContact CE1-CE2 3.72Å; F215-F254 HydrophobicContact CE1-CE2 3.72Å; F215-F254 HydrophobicContact CE1-CZ 4.23Å; I217-F254 HydrophobicContact CD1-CB 3.99Å; I217-F254 HydrophobicContact CD1-CD2 3.6Å; I217-F254 HydrophobicContact CD1-CE2 4.39Å; I217-F254 HydrophobicContact CD1-CG 4.02Å; H230-F254 HydrophobicContact CB-CZ 4.11Å; H230-F254 AromaticContact CD2-CE2 3.92Å; H230-F254 AromaticContact CD2-CZ 3.94Å; V233-F254 HydrophobicContact CB-CE1 4.06Å; V233-F254 HydrophobicContact CB-CZ 4.04Å; V233-F254 HydrophobicContact CG1-CE1 4.03Å; V233-F254 HydrophobicContact CG1-CZ 4.17Å; V233-F254 HydrophobicContact CG2-CE1 4.35Å; V233-F254 HydrophobicContact CG2-CZ 3.81Å; V236-F254 HydrophobicContact CB-CD1 4.46Å; V236-F254 HydrophobicContact CG1-CB 4.18Å; V236-F254 HydrophobicContact CG1-CD1 4.35Å; V236-F254 HydrophobicContact CG1-CG 4.16Å; V236-F254 HydrophobicContact CG2-CB 4.48Å; V236-F254 HydrophobicContact CG2-CD1 3.31Å; V236-F254 HydrophobicContact CG2-CE1 3.57Å; V236-F254 HydrophobicContact CG2-CG 3.95Å; V236-F254 HydrophobicContact CG2-CZ 4.4Å; W238-F254 HydrophobicContact CH2-CB 4.21Å; W238-F254 HydrophobicContact CZ2-CB 3.77Å; F254-M257 PolarHBondContact O-N 2.92Å; F254-Y258 WeakPolarHBondContact O-CB 3.31Å; F254-Y258 PolarHBondContact O-N 3.36Å
255E87.8Confident80.6Confident26 Ų2665.5 Ų65.512%0.12134%0.339CS..Hα-helixtrans-62.8-47.9173.2-6476-17100110.3P248 S249 G252 M257 Y258 D259P248-E255 WeakPolarHBondContact CA-OE1 3.4Å; P248-E255 HydrophobicContact CB-CG 4.38Å; S249-E255 PolarHBondContact N-OE1 2.94Å; S249-E255 PolarHBondContact OG-OE2 2.94Å; G252-E255 WeakPolarHBondContact CA-OE2 3.28Å; E255-M257 VanDerWaalsContact C-N 3.3Å; E255-M257 PolarHBondContact O-N 2.93Å; E255-Y258 WeakPolarHBondContact O-CB 3.43Å; E255-Y258 PolarHBondContact O-N 3.46Å; E255-Y258 VanDerWaalsContact O-N 3.14Å; E255-D259 PolarHBondContact O-N 3.44Å
256K90.2Very high82.2Confident138 Ų13858.4 Ų58.460%0.631%0.306SS*.Hα-helixtrans-60.9-37.9173.6-72.1167.5-176157.50112.6D251 G252 Y253 A260D251-K256 PolarHBondContact O-NZ 3.38Å; G252-K256 WeakPolarHBondContact O-CG 3.18Å; G252-K256 PolarHBondContact O-N 3.44Å; G252-K256 VanDerWaalsContact O-N 3.13Å; Y253-K256 PolarHBondContact O-N 3.09Å; K256-A260 WeakPolarHBondContact O-CB 3.33Å; K256-A260 PolarHBondContact O-N 3.17Å
257M92.2Very high83.7Confident49 Ų4957.7 Ų57.724%0.24130%0.303CS..Hα-helixtrans-64.4-47174.5-69.5-64.4-73.800110.4L103 L105 Y253 F254 E255 D259 A260 Y261L103-M257 HydrophobicContact CD2-CB 4.2Å; L105-M257 HydrophobicContact CD2-CE 3.88Å; Y253-M257 HydrophobicContact CD1-CG 4.37Å; Y253-M257 HydrophobicContact CE1-CG 3.96Å; Y253-M257 WeakPolarHBondContact O-CG 3.34Å; Y253-M257 PolarHBondContact O-N 3.37Å; F254-M257 PolarHBondContact O-N 2.92Å; E255-M257 VanDerWaalsContact C-N 3.3Å; E255-M257 PolarHBondContact O-N 2.93Å; M257-D259 PolarHBondContact O-N 3.16Å; M257-A260 WeakPolarHBondContact O-CB 3.22Å; M257-A260 PolarHBondContact O-N 3.32Å; M257-Y261 HydrophobicContact CB-CE2 4.42Å; M257-Y261 HydrophobicContact CE-CE2 3.94Å; M257-Y261 WeakPolarHBondContact O-CD2 3.34Å; M257-Y261 PolarHBondContact O-N 2.94Å
258Y92.6Very high85.2Confident13 Ų1355.2 Ų55.25%0.05129%0.292CS..Hα-helixtrans-55.1-50.3176.5-178.8-90.5000111.4T9 W238 Q244 F254 E255 A260 Y261 S262T9-Y258 HydrophobicContact CG2-CD2 4.14Å; T9-Y258 HydrophobicContact CG2-CE2 3.81Å; W238-Y258 HydrophobicContact CH2-CD2 4.13Å; W238-Y258 HydrophobicContact CH2-CG 4.31Å; W238-Y258 AromaticContact CZ3-CD2 3.94Å; W238-Y258 HydrophobicContact CZ3-CD2 3.94Å; Q244-Y258 HydrophobicContact CG-CD1 4.06Å; Q244-Y258 HydrophobicContact CG-CD2 4.25Å; Q244-Y258 HydrophobicContact CG-CE1 4.06Å; Q244-Y258 HydrophobicContact CG-CE2 4.25Å; Q244-Y258 HydrophobicContact CG-CG 4.17Å; F254-Y258 WeakPolarHBondContact O-CB 3.31Å; F254-Y258 PolarHBondContact O-N 3.36Å; E255-Y258 WeakPolarHBondContact O-CB 3.43Å; E255-Y258 PolarHBondContact O-N 3.46Å; E255-Y258 VanDerWaalsContact O-N 3.14Å; Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 PolarHBondContact O-N 3.48Å; Y258-Y261 PolarHBondContact O-N 2.83Å; Y258-Y261 VanDerWaalsContact O-N 3.1Å; Y258-S262 WeakPolarHBondContact CE1-OG 3.38Å; Y258-S262 PolarHBondContact O-N 3.14Å; Y258-S262 PolarHBondContact O-OG 2.8Å
259D92.7Very high86.7Confident64 Ų6451.6 Ų51.634%0.34227%0.268SS..Hα-helixtrans-55.4-47.4176.2-69-29.1000111.1E255 M257 Y261 S262 E263 H365E255-D259 PolarHBondContact O-N 3.44Å; M257-D259 PolarHBondContact O-N 3.16Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.77Å; D259-S262 PolarHBondContact O-N 2.95Å; D259-S262 VanDerWaalsContact O-N 3.14Å; D259-E263 WeakPolarHBondContact O-CB 3.45Å; D259-E263 VanDerWaalsContact O-CG 3.24Å; D259-E263 WeakPolarHBondContact O-CG 3.39Å; D259-E263 PolarHBondContact O-N 2.9Å; D259-H365 IonicContact OD1-CD2 2.94Å; D259-H365 IonicContact OD1-CE1 2.94Å; D259-H365 PolarHBondContact OD1-CE1 3.13Å; D259-H365 IonicContact OD1-NE2 2.94Å; D259-H365 PolarHBondContact OD1-NE2 2.84Å
260A94.5Very high87.8Confident57 Ų5750.9 Ų50.947%0.47126%0.263SS..Hα-helixtrans-58.6-38178.300000113.2K256 M257 Y258 L264K256-A260 WeakPolarHBondContact O-CB 3.33Å; K256-A260 PolarHBondContact O-N 3.17Å; M257-A260 WeakPolarHBondContact O-CB 3.22Å; M257-A260 PolarHBondContact O-N 3.32Å; Y258-A260 VanDerWaalsContact C-N 3.32Å; Y258-A260 PolarHBondContact O-N 3.48Å; A260-L264 WeakPolarHBondContact O-CB 3.45Å; A260-L264 PolarHBondContact O-N 3.1Å; A260-L264 VanDerWaalsContact O-N 3.09Å
261Y95.2Very high88.6Confident15 Ų1548.2 Ų48.26%0.05924%0.242CC..Hα-helixtrans-75.7-36175.6-71.8-76.2000113.1K12 L16 H17 L103 L105 M257 Y258 D259 L264K12-Y261 WeakPolarHBondContact CD-O 3.5Å; L16-Y261 HydrophobicContact CB-CE1 4.26Å; L16-Y261 HydrophobicContact CD2-CD1 4.22Å; L16-Y261 HydrophobicContact CD2-CE1 3.46Å; L16-Y261 VanDerWaalsContact CD2-CE1 3.46Å; L16-Y261 HydrophobicContact CG-CE1 4.48Å; H17-Y261 AromaticContact NE2-CZ 3.78Å; H17-Y261 PolarHBondContact NE2-OH 3.32Å; L103-Y261 HydrophobicContact CD1-CD2 3.49Å; L103-Y261 VanDerWaalsContact CD1-CD2 3.49Å; L103-Y261 HydrophobicContact CD1-CE2 4.15Å; L103-Y261 HydrophobicContact CD1-CG 3.83Å; L103-Y261 HydrophobicContact CD2-CD2 3.76Å; L103-Y261 HydrophobicContact CD2-CE2 4.02Å; L103-Y261 HydrophobicContact CG-CD2 3.95Å; L103-Y261 HydrophobicContact CG-CE2 4.2Å; L105-Y261 HydrophobicContact CD2-CE2 3.64Å; M257-Y261 HydrophobicContact CB-CE2 4.42Å; M257-Y261 HydrophobicContact CE-CE2 3.94Å; M257-Y261 WeakPolarHBondContact O-CD2 3.34Å; M257-Y261 PolarHBondContact O-N 2.94Å; Y258-Y261 PolarHBondContact O-N 2.83Å; Y258-Y261 VanDerWaalsContact O-N 3.1Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.77Å; Y261-L264 WeakPolarHBondContact O-CB 3.43Å
262S93.4Very high88.7Confident7 Ų745.8 Ų45.85%0.04923%0.226CC..Hα-helixtrans-64.9-42.9176.1-67.20000110.8T9 K12 Y258 D259 H365T9-S262 VanDerWaalsContact CG2-OG 3.31Å; T9-S262 WeakPolarHBondContact CG2-OG 3.47Å; T9-S262 PolarHBondContact OG1-OG 3.35Å; K12-S262 PolarHBondContact NZ-O 3.48Å; Y258-S262 WeakPolarHBondContact CE1-OG 3.38Å; Y258-S262 PolarHBondContact O-N 3.14Å; Y258-S262 PolarHBondContact O-OG 2.8Å; D259-S262 PolarHBondContact O-N 2.95Å; D259-S262 VanDerWaalsContact O-N 3.14Å; S262-H365 WeakPolarHBondContact CB-ND1 3.17Å
263E94.7Very high87.6Confident75 Ų7548.8 Ų48.835%0.3524%0.242SC..Hα-helixtrans-76.2-20.8179.4-66.3-176.5169.700114.4D259 D265 A362 H365 H366D259-E263 WeakPolarHBondContact O-CB 3.45Å; D259-E263 VanDerWaalsContact O-CG 3.24Å; D259-E263 WeakPolarHBondContact O-CG 3.39Å; D259-E263 PolarHBondContact O-N 2.9Å; E263-D265 PolarHBondContact O-N 3.22Å; E263-A362 HydrophobicContact CB-CB 3.85Å; E263-A362 HydrophobicContact CG-CB 3.9Å; E263-H365 HydrophobicContact CG-CB 4.3Å; E263-H365 IonicContact OE1-CD2 3.95Å; E263-H366 IonicContact OE1-CE1 3.57Å; E263-H366 PolarHBondContact OE1-CE1 3.43Å; E263-H366 VanDerWaalsContact OE1-CE1 3.31Å; E263-H366 IonicContact OE1-NE2 3.34Å
264L93.8Very high86.2Confident47 Ų4747.6 Ų47.625%0.24624%0.239CC..SBendtrans-52.2127.4179178.968.9000111.2K12 L16 A260 Y261 G266 D361K12-L264 HydrophobicContact CB-CD2 4.41Å; K12-L264 HydrophobicContact CD-CB 4.45Å; K12-L264 WeakPolarHBondContact CE-O 3.16Å; K12-L264 PolarHBondContact NZ-O 3.35Å; L16-L264 HydrophobicContact CD1-CD2 4.27Å; A260-L264 WeakPolarHBondContact O-CB 3.45Å; A260-L264 PolarHBondContact O-N 3.1Å; A260-L264 VanDerWaalsContact O-N 3.09Å; Y261-L264 WeakPolarHBondContact O-CB 3.43Å; L264-G266 PolarHBondContact O-N 2.88Å; L264-D361 WeakPolarHBondContact O-CB 3.48Å
265D92.2Very high84.4Confident64 Ų6451.5 Ų51.534%0.34228%0.279SS..  trans-61.7107.8173.8-178.4-7000110.3E263 G267 M268 R311E263-D265 PolarHBondContact O-N 3.22Å; D265-G267 PolarHBondContact O-N 3.36Å; D265-G267 WeakPolarHBondContact OD1-CA 3.23Å; D265-G267 PolarHBondContact OD1-N 2.86Å; D265-M268 HydrophobicContact CB-CG 4.11Å; D265-M268 WeakPolarHBondContact O-CB 3.25Å; D265-M268 PolarHBondContact O-N 2.94Å; D265-M268 VanDerWaalsContact O-N 3.15Å; D265-R311 IonicContact OD1-NH2 3.86Å; D265-R311 PolarHBondContact OD1-NH2 2.92Å
266G92.1Very high82.5Confident0 Ų054 Ų540%030%0.299CS..G310 helixtrans-63.7-21.2-179.900000113.4W44 L264 M268 L269 D361W44-G266 PolarHBondContact NE1-O 3.16Å; L264-G266 PolarHBondContact O-N 2.88Å; G266-M268 VanDerWaalsContact C-N 3.26Å; G266-M268 PolarHBondContact O-N 3.45Å; G266-L269 WeakPolarHBondContact O-CB 3.46Å; G266-L269 PolarHBondContact O-N 3.02Å; G266-D361 PolarHBondContact N-OD2 3.47Å
267G89.3Confident80.7Confident6 Ų653.2 Ų53.26%0.06231%0.311CS..G310 helixtrans-62.2-31.8174.800000112.9D265 L269 R270D265-G267 PolarHBondContact O-N 3.36Å; D265-G267 WeakPolarHBondContact OD1-CA 3.23Å; D265-G267 PolarHBondContact OD1-N 2.86Å; G267-L269 PolarHBondContact O-N 2.97Å; G267-R270 WeakPolarHBondContact O-CB 3.29Å; G267-R270 WeakPolarHBondContact O-CG 3.22Å; G267-R270 PolarHBondContact O-N 2.91Å
268M86.9Confident78.5Confident118 Ų11858.3 Ų58.358%0.58134%0.339SS*.G310 helixtrans-62.8-29178.2-67-60.2-66.800112.8D265 G266 R270 Y271D265-M268 HydrophobicContact CB-CG 4.11Å; D265-M268 WeakPolarHBondContact O-CB 3.25Å; D265-M268 PolarHBondContact O-N 2.94Å; D265-M268 VanDerWaalsContact O-N 3.15Å; G266-M268 VanDerWaalsContact C-N 3.26Å; G266-M268 PolarHBondContact O-N 3.45Å; M268-R270 PolarHBondContact O-N 3.31Å; M268-Y271 PolarHBondContact O-N 3.29Å
269L89Confident76.3Confident13 Ų1359.5 Ų59.57%0.06836%0.355CS..G310 helixtrans-71-11.6-179.1-60.9172.7000113.2K12 L15 W44 L46 G266 G267 Y271K12-L269 HydrophobicContact CB-CD1 4.19Å; K12-L269 HydrophobicContact CG-CD1 3.95Å; L15-L269 HydrophobicContact CB-CD1 4.05Å; L15-L269 HydrophobicContact CB-CD2 4.11Å; L15-L269 HydrophobicContact CD1-CD1 4.22Å; W44-L269 HydrophobicContact CZ2-CD1 4.08Å; L46-L269 HydrophobicContact CD2-CB 3.91Å; G266-L269 WeakPolarHBondContact O-CB 3.46Å; G266-L269 PolarHBondContact O-N 3.02Å; G267-L269 PolarHBondContact O-N 2.97Å; L269-Y271 VanDerWaalsContact C-N 3.3Å
270R85.3Confident74Confident4 Ų464.1 Ų64.12%0.01537%0.374CS..G310 helixtrans-69.3-28.1172.3-60.8-179.2-171.4-159.23.2113T43 W44 L46 G267 M268 K309 D390T43-R270 PolarHBondContact O-NH2 3.07Å; W44-R270 WeakPolarHBondContact O-CD 2.97Å; W44-R270 WeakPolarHBondContact O-CG 3.03Å; W44-R270 PolarHBondContact O-NE 3.21Å; L46-R270 HydrophobicContact CD2-CG 4.48Å; G267-R270 WeakPolarHBondContact O-CB 3.29Å; G267-R270 WeakPolarHBondContact O-CG 3.22Å; G267-R270 PolarHBondContact O-N 2.91Å; M268-R270 PolarHBondContact O-N 3.31Å; R270-K309 VanDerWaalsContact CZ-O 3.27Å; R270-K309 PolarHBondContact NH1-O 2.97Å; R270-K309 PolarHBondContact NH2-O 3.18Å; R270-D390 IonicContact CZ-OD2 3.07Å; R270-D390 IonicContact NH2-OD2 3.44Å; R270-D390 PolarHBondContact NH2-OD2 3.27Å
271Y74.9Confident71.7Confident112 Ų11265.9 Ų65.944%0.43938%0.381SS..SBendtrans-94.8-6.5-175.1-56.1-79.3000113.5M268 L269 T273 L284M268-Y271 PolarHBondContact O-N 3.29Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; Y271-T273 VanDerWaalsContact C-N 3.31Å; Y271-T273 PolarHBondContact O-N 3.2Å; Y271-L284 HydrophobicContact CD1-CD1 4.41Å; Y271-L284 HydrophobicContact CE1-CD1 3.35Å; Y271-L284 HydrophobicContact CE2-CD1 4.28Å; Y271-L284 HydrophobicContact CE2-CD2 4.45Å; Y271-L284 WeakPolarHBondContact OH-CD1 3.21Å; Y271-L284 VanDerWaalsContact OH-CD2 3.3Å; Y271-L284 WeakPolarHBondContact OH-CD2 3.35Å
272K68.3Low69.6Low60 Ų6067 Ų6726%0.26139%0.389SS..  trans-72.590.4177.1-160.8-174.2-174-159.50108.9L15 L16 T18 F274L15-K272 VanDerWaalsContact O-CD 3.29Å; L15-K272 WeakPolarHBondContact O-CD 3.3Å; L15-K272 PolarHBondContact O-NZ 2.97Å; L16-K272 PolarHBondContact O-NZ 3.13Å; T18-K272 PolarHBondContact O-NZ 3.47Å; T18-K272 VanDerWaalsContact O-NZ 3.08Å; K272-F274 HydrophobicContact CD-CE1 4.32Å; K272-F274 HydrophobicContact CD-CZ 3.74Å; K272-F274 HydrophobicContact CG-CE1 4.39Å; K272-F274 HydrophobicContact CG-CZ 4.01Å
273T56.3Low67.7Low75 Ų7571.1 Ų71.146%0.4641%0.408SS..  trans-102.6109.417145.60000109.3Y271Y271-T273 VanDerWaalsContact C-N 3.31Å; Y271-T273 PolarHBondContact O-N 3.2Å
274F58.4Low65.7Low55 Ų5568.5 Ų68.524%0.24140%0.396CS..  trans-62.5165.8158.1-50.1-67.8000109.2T18 Q48 K272 C276T18-F274 HydrophobicContact CG2-CE2 3.99Å; T18-F274 HydrophobicContact CG2-CZ 4.09Å; T18-F274 WeakPolarHBondContact O-CE1 3.34Å; T18-F274 WeakPolarHBondContact O-CZ 3.47Å; Q48-F274 VanDerWaalsContact OE1-CD2 3.29Å; K272-F274 HydrophobicContact CD-CE1 4.32Å; K272-F274 HydrophobicContact CD-CZ 3.74Å; K272-F274 HydrophobicContact CG-CE1 4.39Å; K272-F274 HydrophobicContact CG-CZ 4.01Å; F274-C276 PolarHBondContact O-N 2.75Å
275G52.1Low63.8Low84 Ų8468.9 Ų68.987%0.86640%0.396SS*.SBendtrans-58.234.5-178.500000117.4S277G275-S277 PolarHBondContact O-N 3.49Å
276C49.3Very low62.1Low78 Ų7869.8 Ų69.853%0.52740%0.404SS..  trans-66.8110.1159.3-63.50000108.9F274 N278 G279F274-C276 PolarHBondContact O-N 2.75Å; C276-N278 PolarHBondContact O-N 2.76Å; C276-G279 PolarHBondContact O-N 3.44Å
277S50.9Low60.3Low122 Ų12277.8 Ų77.885%0.85344%0.439SS*.THydrogen-bonded Turntrans-56.5-8.8176.2-37.90000114.8G275G275-S277 PolarHBondContact O-N 3.49Å
278N46.8Very low58.7Low155 Ų15579.9 Ų79.983%0.82946%0.456SS*.THydrogen-bonded Turntrans-120.78-170.5-72.5-9.3000115.2C276 Q280C276-N278 PolarHBondContact O-N 2.76Å; N278-Q280 PolarHBondContact O-N 3.11Å; N278-Q280 VanDerWaalsContact O-N 3.16Å
279G46.9Very low57Low38 Ų3881.4 Ų81.439%0.39247%0.467SS..  trans-80.492.9175.300000111.4C276C276-G279 PolarHBondContact O-N 3.44Å
280Q43.5Very low55Low161 Ų16190.9 Ų90.975%0.75251%0.507SS*.PPolyproline II helixtrans-58.1134.4160.6-72.7-155.6-23.900107.9N278 T282N278-Q280 PolarHBondContact O-N 3.11Å; N278-Q280 VanDerWaalsContact O-N 3.16Å; Q280-T282 PolarHBondContact O-N 2.9Å; Q280-T282 VanDerWaalsContact O-N 3.11Å
281P47.2Very low53.4Low95 Ų9599.2 Ų99.262%0.61754%0.543SS*.PPolyproline II helixtrans-49.4126.2171-21.530000107.5E283P281-E283 PolarHBondContact O-N 3.31Å
282T49.8Very low52.3Low37 Ų37100 Ų10023%0.22755%0.549CS..PPolyproline II helixtrans-57.1118.8174.2-490000106.5A45 P47 Q280 L284A45-T282 HydrophobicContact CB-CG2 3.67Å; A45-T282 WeakPolarHBondContact O-CG2 3.22Å; A45-T282 PolarHBondContact O-OG1 3.29Å; P47-T282 VanDerWaalsContact CB-OG1 3.32Å; P47-T282 WeakPolarHBondContact CB-OG1 3.44Å; P47-T282 WeakPolarHBondContact CD-OG1 3.45Å; P47-T282 WeakPolarHBondContact CG-OG1 3.49Å; Q280-T282 PolarHBondContact O-N 2.9Å; Q280-T282 VanDerWaalsContact O-N 3.11Å; T282-L284 PolarHBondContact O-N 2.74Å
283E53.4Low51.8Low95 Ų95102.3 Ų102.344%0.44456%0.564SS.*  trans-59.6107.9-176.9-59.2179.3155.300106.6P281 F285 K287P281-E283 PolarHBondContact O-N 3.31Å; E283-F285 WeakPolarHBondContact CB-O 3.11Å; E283-F285 PolarHBondContact O-N 2.87Å; E283-K287 WeakPolarHBondContact OE2-CE 3.44Å; E283-K287 WeakPolarHBondContact OE2-CG 3.39Å
284L53.2Low52.1Low19 Ų19105 Ų10510%0.09958%0.576CS.*SBendtrans-60.1-14.2169.2-77.699.8000111.2Y271 T282 K309Y271-L284 HydrophobicContact CD1-CD1 4.41Å; Y271-L284 HydrophobicContact CE1-CD1 3.35Å; Y271-L284 HydrophobicContact CE2-CD1 4.28Å; Y271-L284 HydrophobicContact CE2-CD2 4.45Å; Y271-L284 WeakPolarHBondContact OH-CD1 3.21Å; Y271-L284 VanDerWaalsContact OH-CD2 3.3Å; Y271-L284 WeakPolarHBondContact OH-CD2 3.35Å; T282-L284 PolarHBondContact O-N 2.74Å; L284-K309 WeakPolarHBondContact O-CB 3.32Å; L284-K309 PolarHBondContact O-N 3.35Å
285F54.2Low52.1Low55 Ų55107.1 Ų107.124%0.24159%0.586CS.*BIsolated β-bridgetrans-110133.5-178.8-56.6-70.3000108.6E283 T304 L307 V308 L394E283-F285 WeakPolarHBondContact CB-O 3.11Å; E283-F285 PolarHBondContact O-N 2.87Å; F285-T304 HydrophobicContact CD1-CG2 4.29Å; F285-T304 HydrophobicContact CE1-CG2 3.81Å; F285-T304 HydrophobicContact CZ-CG2 4.46Å; F285-L307 VanDerWaalsContact CA-O 3.24Å; F285-L307 WeakPolarHBondContact CA-O 3.25Å; F285-L307 HydrophobicContact CB-CB 3.81Å; F285-L307 HydrophobicContact CB-CD1 4.41Å; F285-L307 HydrophobicContact CD1-CB 3.7Å; F285-L307 HydrophobicContact CG-CB 4.23Å; F285-V308 HydrophobicContact CD1-CG2 4.44Å; F285-V308 HydrophobicContact CE1-CG2 3.81Å; F285-L394 HydrophobicContact CD2-CD1 4.39Å; F285-L394 HydrophobicContact CE1-CD1 4.05Å; F285-L394 HydrophobicContact CE2-CD1 3.26Å; F285-L394 HydrophobicContact CE2-CG 4.46Å; F285-L394 HydrophobicContact CZ-CD1 3.05Å; F285-L394 HydrophobicContact CZ-CG 3.89Å
286T56.8Low52.8Low84 Ų84104.6 Ų104.652%0.51555%0.551SS.*PPolyproline II helixtrans-57.5144.815947.90000109.3A288 L307T286-A288 PolarHBondContact O-N 2.78Å; T286-A288 VanDerWaalsContact O-N 3.15Å; T286-L307 PolarHBondContact N-O 2.8Å; T286-L307 VanDerWaalsContact N-O 3.09Å; T286-L307 WeakPolarHBondContact O-CD2 2.94Å; T286-L307 WeakPolarHBondContact OG1-CD2 3.37Å
287K54Low53.7Low167 Ų167104.8 Ų104.873%0.72655%0.546SS*.PPolyproline II helixtrans-51.7123.5176.4-69.2-174.4177.6175.70110.6E283E283-K287 WeakPolarHBondContact OE2-CE 3.44Å; E283-K287 WeakPolarHBondContact OE2-CG 3.39Å
288A54.9Low54.8Low51 Ų51100.9 Ų100.942%0.42152%0.517SS..PPolyproline II helixtrans-75.3141.4173.700000110.4T286 K290 L307T286-A288 PolarHBondContact O-N 2.78Å; T286-A288 VanDerWaalsContact O-N 3.15Å; A288-K290 PolarHBondContact O-N 2.06Å; A288-L307 HydrophobicContact CB-CD1 3.92Å
289D52.8Low56.7Low150 Ų15093.5 Ų93.580%0.80248%0.477SS*.PPolyproline II helixtrans-60.7130.5169.7-82.3-35.3000110.6K291D289-K291 PolarHBondContact O-N 3.38Å
290K45.9Very low58.4Low211 Ų21191.9 Ų91.992%0.91746%0.46SS*.SBendtrans-62.8-4.1-171.5-72.5-176.3176.6179.80115.7A288 K292A288-K290 PolarHBondContact O-N 2.06Å; K290-K292 PolarHBondContact O-N 3.13Å
291K51.2Low60.3Low179 Ų17984.6 Ų84.678%0.77843%0.426SS*.  trans-85.278.2-178-72.1-173178.1179.90111.4D289 N293D289-K291 PolarHBondContact O-N 3.38Å; K291-N293 PolarHBondContact O-N 3.2Å; K291-N293 VanDerWaalsContact O-N 3.14Å
292K52.1Low62.3Low130 Ų13080.1 Ų80.157%0.56540%0.397SS*.  trans-77.586.4168.6-66.1-174.8179.1-177.20110K290 W296K290-K292 PolarHBondContact O-N 3.13Å; K292-W296 HydrophobicContact CB-CE3 4.32Å; K292-W296 HydrophobicContact CD-CE3 4.15Å; K292-W296 HydrophobicContact CD-CH2 4.31Å; K292-W296 HydrophobicContact CD-CZ3 3.89Å; K292-W296 HydrophobicContact CG-CD2 4.09Å; K292-W296 HydrophobicContact CG-CE3 3.91Å; K292-W296 HydrophobicContact CG-CZ3 4.1Å
293N59.1Low64Low107 Ų10780.8 Ų80.857%0.57240%0.395SS*.  trans-85.6168.6167.2-69.28.4000110.3K291 Q295 W296 I297K291-N293 PolarHBondContact O-N 3.2Å; K291-N293 VanDerWaalsContact O-N 3.14Å; N293-Q295 PolarHBondContact O-N 3.15Å; N293-Q295 VanDerWaalsContact O-N 3.1Å; N293-W296 WeakPolarHBondContact O-CA 3.34Å; N293-W296 WeakPolarHBondContact O-CB 3.35Å; N293-W296 PolarHBondContact O-N 3.45Å; N293-I297 PolarHBondContact O-N 3.5Å
294D61.6Low65.4Low133 Ų13377.3 Ų77.371%0.71138%0.381SS*.Hα-helixtrans-51.7-36.6178-67.1-25.3000113.6W296 I297 V298D294-W296 VanDerWaalsContact C-N 3.26Å; D294-W296 PolarHBondContact O-N 3.03Å; D294-I297 WeakPolarHBondContact O-CB 3.22Å; D294-I297 PolarHBondContact O-N 3.07Å; D294-I297 VanDerWaalsContact O-N 3.17Å; D294-V298 PolarHBondContact O-N 2.98Å
295Q58.9Low67.1Low98 Ų9877.2 Ų77.246%0.45838%0.382SS..Hα-helixtrans-63.8-29.7175.8-72.6178.1-16.100113.4N293N293-Q295 PolarHBondContact O-N 3.15Å; N293-Q295 VanDerWaalsContact O-N 3.1Å
296W65.8Low68.7Low31 Ų3176.5 Ų76.512%0.11738%0.382CS..Hα-helixtrans-68.5-39.4175-172.196.8000111K292 N293 D294 V298 C299 S300 R303 W398K292-W296 HydrophobicContact CB-CE3 4.32Å; K292-W296 HydrophobicContact CD-CE3 4.15Å; K292-W296 HydrophobicContact CD-CH2 4.31Å; K292-W296 HydrophobicContact CD-CZ3 3.89Å; K292-W296 HydrophobicContact CG-CD2 4.09Å; K292-W296 HydrophobicContact CG-CE3 3.91Å; K292-W296 HydrophobicContact CG-CZ3 4.1Å; N293-W296 WeakPolarHBondContact O-CA 3.34Å; N293-W296 WeakPolarHBondContact O-CB 3.35Å; N293-W296 PolarHBondContact O-N 3.45Å; D294-W296 VanDerWaalsContact C-N 3.26Å; D294-W296 PolarHBondContact O-N 3.03Å; W296-V298 PolarHBondContact O-N 3.24Å; W296-C299 CarbonylContact O-C 3.31Å; W296-C299 PolarHBondContact O-N 3.37Å; W296-S300 VanDerWaalsContact O-CA 3.31Å; W296-S300 WeakPolarHBondContact O-CA 3.24Å; W296-S300 PolarHBondContact O-N 3.25Å; W296-R303 VanDerWaalsContact NE1-CD 3.33Å; W296-W398 HydrophobicContact CE3-CZ2 4.35Å; W296-W398 AromaticContact CH2-CH2 3.42Å; W296-W398 HydrophobicContact CH2-CH2 3.42Å; W296-W398 VanDerWaalsContact CH2-CH2 3.42Å; W296-W398 AromaticContact CH2-CZ2 3.73Å; W296-W398 HydrophobicContact CH2-CZ2 3.73Å; W296-W398 AromaticContact CZ3-CH2 3.43Å; W296-W398 HydrophobicContact CZ3-CH2 3.43Å; W296-W398 VanDerWaalsContact CZ3-CH2 3.43Å; W296-W398 AromaticContact CZ3-CZ2 3.27Å; W296-W398 HydrophobicContact CZ3-CZ2 3.27Å
297I68.7Low70Confident82 Ų8273.9 Ų73.942%0.42137%0.365SS..Hα-helixtrans-63-45.2-178.2-61.5174.3000110.6N293 D294 C299 S300N293-I297 PolarHBondContact O-N 3.5Å; D294-I297 WeakPolarHBondContact O-CB 3.22Å; D294-I297 PolarHBondContact O-N 3.07Å; D294-I297 VanDerWaalsContact O-N 3.17Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 2.94Å; I297-S300 WeakPolarHBondContact O-CB 3.36Å; I297-S300 PolarHBondContact O-N 3.24Å; I297-S300 PolarHBondContact O-OG 3.05Å
298V75.2Confident71.5Confident40 Ų4066.7 Ų66.724%0.24234%0.335CS..Hα-helixtrans-60.1-38.8-177.7-178.70000111.7D294 W296 L614 C618 L621D294-V298 PolarHBondContact O-N 2.98Å; W296-V298 PolarHBondContact O-N 3.24Å; V298-L614 HydrophobicContact CG1-CD1 4.08Å; V298-C618 PolarHBondContact O-SG 2.89Å; V298-L621 HydrophobicContact CB-CD1 4.43Å; V298-L621 HydrophobicContact CG1-CD1 4.1Å
299C86.5Confident73.1Confident1 Ų167.8 Ų67.81%0.00733%0.33CS..THydrogen-bonded Turntrans-113.728.3-176.6-52.30000113.3W296 I297 E301 F302 R303 C618W296-C299 CarbonylContact O-C 3.31Å; W296-C299 PolarHBondContact O-N 3.37Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 2.94Å; C299-E301 PolarHBondContact O-N 3.39Å; C299-F302 PolarHBondContact O-N 2.79Å; C299-R303 WeakPolarHBondContact O-CG 3.29Å; C299-R303 PolarHBondContact O-N 3.22Å; C299-R303 VanDerWaalsContact O-N 3.09Å; C299-C618 WeakPolarHBondContact CA-SG 3.29Å; C299-C618 HydrophobicContact CB-CB 3.91Å; C299-C618 WeakPolarHBondContact CB-SG 3.45Å; C299-C618 WeakPolarHBondContact SG-CA 3.12Å; C299-C618 WeakPolarHBondContact SG-CB 3.46Å; C299-C618 CovalentContact SG-SG 2.06Å; C299-C618 PolarHBondContact SG-SG 3.34Å
300S82Confident75Confident4 Ų461.1 Ų61.13%0.02829%0.294CS..Hα-helixtrans-58.8-35.7-176.853.80000112.3W296 I297 R303 T304W296-S300 VanDerWaalsContact O-CA 3.31Å; W296-S300 WeakPolarHBondContact O-CA 3.24Å; W296-S300 PolarHBondContact O-N 3.25Å; I297-S300 WeakPolarHBondContact O-CB 3.36Å; I297-S300 PolarHBondContact O-N 3.24Å; I297-S300 PolarHBondContact O-OG 3.05Å; S300-R303 PolarHBondContact O-N 2.73Å; S300-T304 WeakPolarHBondContact O-CB 3.24Å; S300-T304 PolarHBondContact O-N 3.18Å; S300-T304 PolarHBondContact O-OG1 2.95Å
301E83.4Confident77.3Confident7 Ų751.2 Ų51.23%0.03325%0.251CS..Hα-helixtrans-69.8-43.1-179.7-61.8176.317500112.7C299 R303 T304 A305 S404 V405 L406 F412C299-E301 PolarHBondContact O-N 3.39Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 2.81Å; E301-T304 PolarHBondContact O-N 3.14Å; E301-A305 WeakPolarHBondContact O-CB 3.31Å; E301-A305 PolarHBondContact O-N 3.12Å; E301-S404 VanDerWaalsContact OE1-CA 3.31Å; E301-S404 WeakPolarHBondContact OE1-CA 3.49Å; E301-S404 WeakPolarHBondContact OE1-CB 3.5Å; E301-S404 PolarHBondContact OE1-OG 3.05Å; E301-S404 PolarHBondContact OE2-OG 3.45Å; E301-V405 VanDerWaalsContact OE2-CA 3.25Å; E301-V405 WeakPolarHBondContact OE2-CA 3.12Å; E301-V405 WeakPolarHBondContact OE2-CB 3.2Å; E301-V405 PolarHBondContact OE2-N 2.99Å; E301-L406 HydrophobicContact CB-CD1 4.13Å; E301-L406 HydrophobicContact CB-CG 4.41Å; E301-L406 HydrophobicContact CG-CD1 4.31Å; E301-L406 VanDerWaalsContact OE2-CG 3.29Å; E301-L406 WeakPolarHBondContact OE2-CG 3.24Å; E301-L406 PolarHBondContact OE2-N 3.34Å; E301-F412 HydrophobicContact CB-CE2 3.9Å
302F88.6Confident79.4Confident1 Ų143.2 Ų43.20%0.00422%0.217CC..Hα-helixtrans-57-47.8170.7-83.9-93.6000110.5C299 A305 T306 V405 F412 V559 Y615 C618 L619 L622C299-F302 PolarHBondContact O-N 2.79Å; F302-A305 WeakPolarHBondContact O-CB 3.28Å; F302-A305 PolarHBondContact O-N 3.42Å; F302-T306 WeakPolarHBondContact O-CG2 3.42Å; F302-T306 PolarHBondContact O-N 2.87Å; F302-V405 HydrophobicContact CE2-CG1 4.01Å; F302-V405 HydrophobicContact CE2-CG2 4.43Å; F302-F412 HydrophobicContact CD1-CE1 4.48Å; F302-F412 HydrophobicContact CD1-CZ 4.46Å; F302-F412 HydrophobicContact CD2-CE1 4.48Å; F302-F412 HydrophobicContact CD2-CE2 4.39Å; F302-F412 AromaticContact CD2-CZ 3.87Å; F302-F412 HydrophobicContact CD2-CZ 3.87Å; F302-F412 HydrophobicContact CE1-CE1 4.02Å; F302-F412 HydrophobicContact CE1-CZ 4.33Å; F302-F412 HydrophobicContact CE2-CE1 4.06Å; F302-F412 AromaticContact CE2-CZ 3.75Å; F302-F412 HydrophobicContact CE2-CZ 3.75Å; F302-F412 HydrophobicContact CG-CE2 4.48Å; F302-F412 HydrophobicContact CG-CZ 4.23Å; F302-F412 AromaticContact CZ-CE1 3.79Å; F302-F412 HydrophobicContact CZ-CE1 3.79Å; F302-F412 AromaticContact CZ-CZ 3.97Å; F302-F412 HydrophobicContact CZ-CZ 3.97Å; F302-V559 HydrophobicContact CD1-CG2 3.49Å; F302-V559 VanDerWaalsContact CD1-CG2 3.49Å; F302-V559 HydrophobicContact CE1-CG2 4.03Å; F302-V559 HydrophobicContact CG-CG2 4.29Å; F302-Y615 HydrophobicContact CE1-CE1 4.47Å; F302-Y615 HydrophobicContact CE2-CD2 4.43Å; F302-Y615 HydrophobicContact CE2-CG 4.43Å; F302-Y615 HydrophobicContact CZ-CD1 4.01Å; F302-Y615 HydrophobicContact CZ-CD2 4.07Å; F302-Y615 AromaticContact CZ-CE1 3.76Å; F302-Y615 HydrophobicContact CZ-CE1 3.76Å; F302-Y615 AromaticContact CZ-CE2 3.86Å; F302-Y615 HydrophobicContact CZ-CE2 3.86Å; F302-Y615 HydrophobicContact CZ-CG 4.12Å; F302-Y615 AromaticContact CZ-CZ 3.64Å; F302-C618 HydrophobicContact CD2-CB 3.9Å; F302-C618 HydrophobicContact CE2-CB 3.79Å; F302-L619 HydrophobicContact CE1-CD2 3.87Å; F302-L619 HydrophobicContact CZ-CD2 4.09Å; F302-L619 HydrophobicContact CZ-CG 4.34Å; F302-L622 HydrophobicContact CB-CD1 3.87Å; F302-L622 HydrophobicContact CD1-CD1 3.78Å; F302-L622 HydrophobicContact CE1-CD1 4.49Å; F302-L622 HydrophobicContact CG-CD1 3.82Å
303R86.7Confident81.4Confident52 Ų5237 Ų3720%0.19619%0.191CC..Hα-helixtrans-64.9-41.6-179.4-65.5-179.3-165.8-80.83.4111.9W296 C299 S300 E301 A305 T306 L307 E625W296-R303 VanDerWaalsContact NE1-CD 3.33Å; C299-R303 WeakPolarHBondContact O-CG 3.29Å; C299-R303 PolarHBondContact O-N 3.22Å; C299-R303 VanDerWaalsContact O-N 3.09Å; S300-R303 PolarHBondContact O-N 2.73Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 2.81Å; R303-A305 VanDerWaalsContact C-N 3.28Å; R303-A305 PolarHBondContact O-N 3.44Å; R303-T306 PolarHBondContact O-N 2.77Å; R303-T306 PolarHBondContact O-OG1 3.49Å; R303-L307 WeakPolarHBondContact O-CG 3.19Å; R303-L307 PolarHBondContact O-N 3.08Å; R303-E625 IonicContact CZ-OE1 2.86Å; R303-E625 IonicContact CZ-OE2 4Å; R303-E625 IonicContact NH1-OE2 3.71Å; R303-E625 PolarHBondContact NH1-OE2 2.64Å; R303-E625 VanDerWaalsContact NH1-OE2 3.12Å; R303-E625 IonicContact NH2-OE1 3Å; R303-E625 PolarHBondContact NH2-OE1 3.21Å; R303-E625 IonicContact NH2-OE2 3.62Å; R303-E625 PolarHBondContact NH2-OE2 3.37Å
304T82.9Confident83Confident22 Ų2233.3 Ų33.314%0.13517%0.17CC..Hα-helixtrans-61.8-39.1175.6-61.80000111.1F285 S300 E301 T306 L307 V308 L394F285-T304 HydrophobicContact CD1-CG2 4.29Å; F285-T304 HydrophobicContact CE1-CG2 3.81Å; F285-T304 HydrophobicContact CZ-CG2 4.46Å; S300-T304 WeakPolarHBondContact O-CB 3.24Å; S300-T304 PolarHBondContact O-N 3.18Å; S300-T304 PolarHBondContact O-OG1 2.95Å; E301-T304 PolarHBondContact O-N 3.14Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 PolarHBondContact O-N 2.96Å; T304-L307 PolarHBondContact O-N 2.91Å; T304-L307 VanDerWaalsContact O-N 3.13Å; T304-V308 PolarHBondContact O-N 2.81Å; T304-L394 HydrophobicContact CG2-CB 4.12Å
305A87.1Confident84.4Confident16 Ų1627.7 Ų27.713%0.13214%0.139CC..Hα-helixtrans-62.8-33176.900000113.3E301 F302 R303 L307 V308 F412 V559E301-A305 WeakPolarHBondContact O-CB 3.31Å; E301-A305 PolarHBondContact O-N 3.12Å; F302-A305 WeakPolarHBondContact O-CB 3.28Å; F302-A305 PolarHBondContact O-N 3.42Å; R303-A305 VanDerWaalsContact C-N 3.28Å; R303-A305 PolarHBondContact O-N 3.44Å; A305-L307 VanDerWaalsContact C-N 3.28Å; A305-L307 PolarHBondContact O-N 3.39Å; A305-V308 PolarHBondContact O-N 2.88Å; A305-F412 HydrophobicContact CB-CB 3.96Å; A305-F412 HydrophobicContact CB-CD2 3.78Å; A305-F412 HydrophobicContact CB-CG 4.27Å; A305-V559 HydrophobicContact CB-CG1 4.27Å; A305-V559 HydrophobicContact CB-CG2 3.98Å
306T87.6Confident85.8Confident40 Ų4023.1 Ų23.125%0.24512%0.118CC..Hα-helixtrans-67.2-33.6175.7740000111.9F302 R303 T304 V308 K417 E556 V559F302-T306 WeakPolarHBondContact O-CG2 3.42Å; F302-T306 PolarHBondContact O-N 2.87Å; R303-T306 PolarHBondContact O-N 2.77Å; R303-T306 PolarHBondContact O-OG1 3.49Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 PolarHBondContact O-N 2.96Å; T306-V308 VanDerWaalsContact C-N 3.26Å; T306-V308 PolarHBondContact O-N 3.22Å; T306-K417 PolarHBondContact O-NZ 3.17Å; T306-E556 WeakPolarHBondContact CG2-O 3.43Å; T306-V559 HydrophobicContact CG2-CG1 4.45Å
307L84.6Confident86.6Confident30 Ų3022.2 Ų22.216%0.15712%0.116CC..Hα-helixtrans-73.4-19.7-176.1-58.1175.5000112F285 T286 A288 R303 T304 A305 K309F285-L307 VanDerWaalsContact CA-O 3.24Å; F285-L307 WeakPolarHBondContact CA-O 3.25Å; F285-L307 HydrophobicContact CB-CB 3.81Å; F285-L307 HydrophobicContact CB-CD1 4.41Å; F285-L307 HydrophobicContact CD1-CB 3.7Å; F285-L307 HydrophobicContact CG-CB 4.23Å; T286-L307 PolarHBondContact N-O 2.8Å; T286-L307 VanDerWaalsContact N-O 3.09Å; T286-L307 WeakPolarHBondContact O-CD2 2.94Å; T286-L307 WeakPolarHBondContact OG1-CD2 3.37Å; A288-L307 HydrophobicContact CB-CD1 3.92Å; R303-L307 WeakPolarHBondContact O-CG 3.19Å; R303-L307 PolarHBondContact O-N 3.08Å; T304-L307 PolarHBondContact O-N 2.91Å; T304-L307 VanDerWaalsContact O-N 3.13Å; A305-L307 VanDerWaalsContact C-N 3.28Å; A305-L307 PolarHBondContact O-N 3.39Å; L307-K309 PolarHBondContact O-N 3.07Å; L307-K309 VanDerWaalsContact O-N 3.13Å
308V86.6Confident87.2Confident15 Ų1524 Ų249%0.09112%0.122CC..BIsolated β-bridgetrans-56.2116.9-178.8-179.90000111.6F285 T304 A305 T306 H310 D390 K417F285-V308 HydrophobicContact CD1-CG2 4.44Å; F285-V308 HydrophobicContact CE1-CG2 3.81Å; T304-V308 PolarHBondContact O-N 2.81Å; A305-V308 PolarHBondContact O-N 2.88Å; T306-V308 VanDerWaalsContact C-N 3.26Å; T306-V308 PolarHBondContact O-N 3.22Å; V308-H310 WeakPolarHBondContact CG1-CE1 3.43Å; V308-H310 PolarHBondContact O-N 3.34Å; V308-H310 PolarHBondContact O-ND1 2.89Å; V308-H310 VanDerWaalsContact O-ND1 3.1Å; V308-D390 WeakPolarHBondContact CG1-O 3.41Å; V308-K417 PolarHBondContact O-NZ 2.74Å
309K87.4Confident87.8Confident74 Ų7423.3 Ų23.332%0.32212%0.116SC..  trans-85.487.5172.7-173.1177.2179.3-179.60109.6A42 A45 R270 L284 L307A42-K309 WeakPolarHBondContact O-CE 3.21Å; A42-K309 PolarHBondContact O-NZ 3.21Å; A45-K309 HydrophobicContact CB-CD 4.06Å; A45-K309 VanDerWaalsContact CB-NZ 3.33Å; R270-K309 VanDerWaalsContact CZ-O 3.27Å; R270-K309 PolarHBondContact NH1-O 2.97Å; R270-K309 PolarHBondContact NH2-O 3.18Å; L284-K309 WeakPolarHBondContact O-CB 3.32Å; L284-K309 PolarHBondContact O-N 3.35Å; L307-K309 PolarHBondContact O-N 3.07Å; L307-K309 VanDerWaalsContact O-N 3.13Å
310H92.8Very high87.9Confident11 Ų1127.8 Ų27.85%0.05114%0.14CC..  trans-69.5139.2176.7-59.683.8000111.1T43 V308 Y358 V387 F388T43-H310 WeakPolarHBondContact CB-O 3.31Å; V308-H310 WeakPolarHBondContact CG1-CE1 3.43Å; V308-H310 PolarHBondContact O-N 3.34Å; V308-H310 PolarHBondContact O-ND1 2.89Å; V308-H310 VanDerWaalsContact O-ND1 3.1Å; H310-Y358 AromaticContact CD2-CE2 3.76Å; H310-Y358 AromaticContact NE2-CE2 3.84Å; H310-V387 HydrophobicContact CB-CG1 3.62Å; H310-F388 PolarHBondContact CD2-O 2.78Å; H310-F388 VanDerWaalsContact CD2-O 3.31Å
311R94.6Very high88.3Confident2 Ų229.4 Ų29.41%0.00815%0.146CC..  trans-61138161.5-81.4168.5-46.4126.2-7.2109.1W44 D265 D361 F388 D390W44-R311 VanDerWaalsContact CA-CG 3.49Å; W44-R311 HydrophobicContact CB-CG 3.85Å; W44-R311 HydrophobicContact CD2-CG 4.46Å; W44-R311 HydrophobicContact CG-CG 3.79Å; D265-R311 IonicContact OD1-NH2 3.86Å; D265-R311 PolarHBondContact OD1-NH2 2.92Å; R311-D361 IonicContact CZ-OD1 3.96Å; R311-D361 IonicContact CZ-OD2 3.91Å; R311-D361 IonicContact NH1-OD1 3.39Å; R311-D361 PolarHBondContact NH1-OD1 3.1Å; R311-D361 IonicContact NH1-OD2 3.3Å; R311-D361 PolarHBondContact NH1-OD2 3.31Å; R311-D361 IonicContact NH2-OD1 3.59Å; R311-D361 IonicContact NH2-OD2 2.7Å; R311-D361 PolarHBondContact NH2-OD2 2.89Å; R311-F388 HydrophobicContact CB-CB 4.08Å; R311-F388 HydrophobicContact CB-CD2 3.48Å; R311-F388 VanDerWaalsContact CB-CD2 3.48Å; R311-F388 HydrophobicContact CB-CE2 4.3Å; R311-F388 HydrophobicContact CB-CG 4.12Å; R311-F388 PolarHBondContact O-N 3.34Å; R311-D390 WeakPolarHBondContact CB-OD2 3.22Å; R311-D390 WeakPolarHBondContact CD-OD2 3.38Å; R311-D390 WeakPolarHBondContact CG-OD2 3.16Å; R311-D390 IonicContact CZ-OD1 3.31Å; R311-D390 VanDerWaalsContact CZ-OD1 3.23Å; R311-D390 IonicContact CZ-OD2 3.65Å; R311-D390 PolarHBondContact N-OD2 3.2Å; R311-D390 VanDerWaalsContact NE-CG 3.33Å; R311-D390 IonicContact NE-OD1 2.73Å; R311-D390 PolarHBondContact NE-OD1 3.45Å; R311-D390 IonicContact NE-OD2 2.78Å; R311-D390 PolarHBondContact NE-OD2 3.1Å; R311-D390 IonicContact NH2-OD1 2.87Å; R311-D390 PolarHBondContact NH2-OD1 3.22Å
312V95.4Very high88.9Confident11 Ų1135.6 Ų35.67%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-129.1118.5177.2-174.80000108.9N39 L40 T43 M314 V386 V387 I421N39-V312 PolarHBondContact OD1-O 3.29Å; L40-V312 WeakPolarHBondContact CA-O 3.07Å; T43-V312 HydrophobicContact CG2-CB 4.2Å; T43-V312 HydrophobicContact CG2-CG2 4.16Å; T43-V312 PolarHBondContact OG1-N 3.45Å; T43-V312 PolarHBondContact OG1-O 3.45Å; V312-M314 HydrophobicContact CG1-CG 3.78Å; V312-V386 CarbonylContact C-O 3.52Å; V312-V386 VanDerWaalsContact CA-O 3.31Å; V312-V386 WeakPolarHBondContact CA-O 3.4Å; V312-V387 HydrophobicContact CG1-CG2 4.35Å; V312-V387 HydrophobicContact CG2-CG1 4.47Å; V312-V387 HydrophobicContact CG2-CG2 4.34Å; V312-I421 HydrophobicContact CG1-CD1 4.42Å; V312-I421 HydrophobicContact CG1-CG2 4.05Å; V312-I421 HydrophobicContact CG2-CD1 3.86Å
313H94.2Very high89.2Confident1 Ų137.8 Ų37.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-98.498.1166-172.1-30.8000108.6L40 H385 V386 F388L40-H313 HydrophobicContact CD1-CB 4.11Å; H313-H385 WeakPolarHBondContact O-CA 3.4Å; H313-V386 HydrophobicContact CB-CB 4.28Å; H313-V386 PolarHBondContact N-O 2.79Å; H313-V386 PolarHBondContact O-N 3.03Å; H313-F388 HydrophobicContact CB-CE2 3.95Å; H313-F388 HydrophobicContact CB-CZ 4.41Å
314M93.4Very high89.7Confident28 Ų2839.2 Ų39.214%0.13820%0.204CC..  trans-73.2149.3175.5-60.3-168.574.300111.2V36 N39 V312 C316 H385V36-M314 VanDerWaalsContact CG1-O 3.25Å; V36-M314 WeakPolarHBondContact CG1-O 3.49Å; N39-M314 HydrophobicContact CB-SD 4.23Å; V312-M314 HydrophobicContact CG1-CG 3.78Å; M314-C316 PolarHBondContact O-N 2.89Å; M314-H385 WeakPolarHBondContact CA-ND1 3.45Å
315F91.1Very high90.3Very high15 Ų1544.1 Ų44.17%0.06623%0.228CC..  trans48.355.7175-55.5-84.1000112.1R4 H32 V36 T317 F319 A383 V384 H385R4-F315 PolarHBondContact NH1-O 2.98Å; H32-F315 AromaticContact CE1-CD1 3.99Å; H32-F315 AromaticContact CE1-CD2 3.38Å; H32-F315 WeakPolarHBondContact CE1-CD2 3.29Å; H32-F315 AromaticContact CE1-CE2 3.45Å; H32-F315 VanDerWaalsContact CE1-CE2 3.45Å; H32-F315 WeakPolarHBondContact CE1-CE2 3.46Å; H32-F315 AromaticContact CE1-CG 3.66Å; H32-F315 AromaticContact CE1-CZ 3.76Å; H32-F315 AromaticContact NE2-CD1 3.89Å; H32-F315 AromaticContact NE2-CD2 3.72Å; H32-F315 AromaticContact NE2-CG 3.54Å; V36-F315 HydrophobicContact CG2-CB 4.08Å; V36-F315 HydrophobicContact CG2-CD2 3.82Å; V36-F315 HydrophobicContact CG2-CG 4.38Å; F315-T317 VanDerWaalsContact C-N 3.27Å; F315-T317 CarbonylContact C-O 3.49Å; F315-T317 PolarHBondContact O-N 2.94Å; F315-F319 HydrophobicContact CD1-CB 3.72Å; F315-F319 AromaticContact CD1-CD1 3.67Å; F315-F319 HydrophobicContact CD1-CD1 3.67Å; F315-F319 HydrophobicContact CD1-CE1 4.45Å; F315-F319 AromaticContact CD1-CG 3.75Å; F315-F319 HydrophobicContact CD1-CG 3.75Å; F315-F319 HydrophobicContact CE1-CB 4.36Å; F315-F319 AromaticContact CE1-CD1 3.44Å; F315-F319 HydrophobicContact CE1-CD1 3.44Å; F315-F319 VanDerWaalsContact CE1-CD1 3.44Å; F315-F319 AromaticContact CE1-CE1 3.77Å; F315-F319 HydrophobicContact CE1-CE1 3.77Å; F315-F319 AromaticContact CE1-CG 3.88Å; F315-F319 HydrophobicContact CE1-CG 3.88Å; F315-F319 HydrophobicContact CE1-CZ 4.47Å; F315-A383 HydrophobicContact CD1-CB 3.91Å; F315-A383 HydrophobicContact CE1-CB 3.64Å; F315-V384 CarbonylContact C-O 3.54Å; F315-V384 VanDerWaalsContact CA-O 3.25Å; F315-V384 WeakPolarHBondContact CA-O 3.24Å; F315-V384 PolarHBondContact N-O 3.16Å; F315-V384 VanDerWaalsContact N-O 3.14Å; F315-H385 AromaticContact CD1-CE1 3.98Å; F315-H385 AromaticContact CD2-CE1 3.89Å; F315-H385 AromaticContact CE1-CE1 3.86Å; F315-H385 AromaticContact CE2-CE1 3.75Å; F315-H385 AromaticContact CZ-CE1 3.75Å; F315-H385 PolarHBondContact N-ND1 3.05Å
316C86.6Confident90.8Very high2 Ų247 Ų471%0.01424%0.237CC..  trans-65.3-35179.8-166.20000110.8M1 M314 V384 V386M1-C316 HydrophobicContact CE-CB 3.89Å; M1-C316 VanDerWaalsContact CE-SG 3.6Å; M1-C316 WeakPolarHBondContact CG-O 3.42Å; M314-C316 PolarHBondContact O-N 2.89Å; C316-V384 PolarHBondContact N-O 2.71Å; C316-V386 HydrophobicContact CB-CG2 4.15Å
317T83.1Confident91.3Very high12 Ų1245.2 Ų45.27%0.07423%0.225CC..SBendtrans-85.2164.8169.153.90000112.5M1 F315 F319 V382 V384M1-T317 HydrophobicContact CE-CG2 3.25Å; M1-T317 HydrophobicContact CG-CG2 4.28Å; M1-T317 HydrophobicContact SD-CG2 3.92Å; F315-T317 VanDerWaalsContact C-N 3.27Å; F315-T317 CarbonylContact C-O 3.49Å; F315-T317 PolarHBondContact O-N 2.94Å; T317-F319 PolarHBondContact O-N 3.42Å; T317-V382 PolarHBondContact OG1-O 3.3Å; T317-V384 HydrophobicContact CG2-CB 3.94Å; T317-V384 HydrophobicContact CG2-CG2 3.72Å; T317-V384 WeakPolarHBondContact OG1-CG2 3.49Å
318E81.4Confident92Very high119 Ų11943.8 Ų43.856%0.55622%0.218SC*.  trans-61.9133.4166.1-171.9178.9173.100109.2K380E318-K380 VanDerWaalsContact OE1-CE 3.26Å; E318-K380 WeakPolarHBondContact OE1-CE 3.15Å; E318-K380 IonicContact OE1-NZ 2.95Å; E318-K380 PolarHBondContact OE1-NZ 2.83Å
319F88Confident92.6Very high26 Ų2643.4 Ų43.411%0.11422%0.215CC..  trans-141.5119178.5-179.8-99.9000108.4F315 T317 K380 A383F315-F319 HydrophobicContact CD1-CB 3.72Å; F315-F319 AromaticContact CD1-CD1 3.67Å; F315-F319 HydrophobicContact CD1-CD1 3.67Å; F315-F319 HydrophobicContact CD1-CE1 4.45Å; F315-F319 AromaticContact CD1-CG 3.75Å; F315-F319 HydrophobicContact CD1-CG 3.75Å; F315-F319 HydrophobicContact CE1-CB 4.36Å; F315-F319 AromaticContact CE1-CD1 3.44Å; F315-F319 HydrophobicContact CE1-CD1 3.44Å; F315-F319 VanDerWaalsContact CE1-CD1 3.44Å; F315-F319 AromaticContact CE1-CE1 3.77Å; F315-F319 HydrophobicContact CE1-CE1 3.77Å; F315-F319 AromaticContact CE1-CG 3.88Å; F315-F319 HydrophobicContact CE1-CG 3.88Å; F315-F319 HydrophobicContact CE1-CZ 4.47Å; T317-F319 PolarHBondContact O-N 3.42Å; F319-K380 WeakPolarHBondContact CA-O 3.42Å; F319-K380 VanDerWaalsContact CD2-O 3.28Å; F319-K380 WeakPolarHBondContact CD2-O 3.32Å; F319-A383 HydrophobicContact CD2-CB 3.76Å; F319-A383 HydrophobicContact CE2-CB 3.76Å; F319-A383 HydrophobicContact CG-CB 4.24Å; F319-A383 HydrophobicContact CZ-CB 4.26Å
320D87.9Confident93.1Very high96 Ų9640 Ų4051%0.51320%0.201SC..  trans-15195.1-177.1-17622.5000106.9K380D320-K380 HydrophobicContact CB-CB 4.1Å; D320-K380 HydrophobicContact CB-CD 3.82Å; D320-K380 PolarHBondContact N-O 3.05Å; D320-K380 WeakPolarHBondContact O-CB 3.36Å
321Y91.8Very high93.4Very high37 Ų3739.8 Ų39.815%0.14520%0.2CC..  trans-147.8128.3-172.3-176.5-107.7000111D327 P352 N381 R427 T428Y321-D327 VanDerWaalsContact CE1-OD2 3.28Å; Y321-D327 WeakPolarHBondContact CE1-OD2 3.44Å; Y321-D327 VanDerWaalsContact CZ-OD2 3.27Å; Y321-D327 VanDerWaalsContact OH-CG 3.31Å; Y321-D327 PolarHBondContact OH-OD1 3.4Å; Y321-D327 PolarHBondContact OH-OD2 3.36Å; Y321-P352 HydrophobicContact CD1-CB 4.19Å; Y321-P352 HydrophobicContact CE1-CB 3.78Å; Y321-P352 HydrophobicContact CE1-CG 3.8Å; Y321-N381 HydrophobicContact CD1-CB 4.4Å; Y321-N381 HydrophobicContact CD2-CB 3.34Å; Y321-N381 HydrophobicContact CE2-CB 3.76Å; Y321-N381 HydrophobicContact CG-CB 3.69Å; Y321-R427 PolarHBondContact O-NH1 2.96Å; Y321-R427 VanDerWaalsContact O-NH1 3.09Å; Y321-T428 HydrophobicContact CE1-CG2 4.17Å
322E94.3Very high93.6Very high137 Ų13739.7 Ų39.764%0.6420%0.2SC*.  trans-106.9118.8173.8-68.1-55.1137.900109.5R427E322-R427 IonicContact OE1-NH1 2.88Å
323P96.3Very high93.7Very high48 Ų4839.8 Ų39.831%0.31220%0.2SC..  trans-59145.5179.5-26.535000114.1R427 T428P323-R427 HydrophobicContact CG-CB 3.58Å; P323-R427 WeakPolarHBondContact CG-O 3.31Å; P323-T428 HydrophobicContact CB-CG2 4.09Å; P323-T428 HydrophobicContact CG-CG2 4.27Å
324V95.9Very high93.8Very high82 Ų8239.8 Ų39.850%0.49720%0.2SC..  trans-102.1176.9171.5-60.20000112D327V324-D327 HydrophobicContact CG2-CB 3.76Å; V324-D327 PolarHBondContact N-OD2 3.26Å; V324-D327 WeakPolarHBondContact O-CB 3.43Å; V324-D327 PolarHBondContact O-N 3.22Å
325L96.8Very high93.9Very high124 Ų12439.7 Ų39.765%0.64920%0.202SC*.THydrogen-bonded Turntrans-65.8140.1176.2-168.966.7000111.1D327L325-D327 PolarHBondContact O-N 2.79Å; L325-D327 VanDerWaalsContact O-N 3.1Å
326Y97.8Very high94Very high78 Ų7842.2 Ų42.231%0.30621%0.213SC..THydrogen-bonded Turntrans59.713-176.8-47-60.9000115.1K449 I452 Q453Y326-K449 WeakPolarHBondContact O-CG 3.19Å; Y326-I452 HydrophobicContact CD1-CG2 3.88Å; Y326-I452 HydrophobicContact CG-CG2 4.41Å; Y326-I452 WeakPolarHBondContact O-CD1 3.31Å; Y326-Q453 HydrophobicContact CD1-CB 4.27Å; Y326-Q453 HydrophobicContact CD2-CB 3.89Å; Y326-Q453 HydrophobicContact CD2-CG 4.09Å; Y326-Q453 HydrophobicContact CE1-CB 4.32Å; Y326-Q453 HydrophobicContact CE1-CG 4.45Å; Y326-Q453 HydrophobicContact CE2-CB 3.94Å; Y326-Q453 HydrophobicContact CE2-CG 3.66Å; Y326-Q453 HydrophobicContact CG-CB 4.06Å
327D98.2Very high94.2Very high1 Ų146.8 Ų46.81%0.00524%0.237CC..  trans-65.9146.2-174.6-164.813.7000113.1Y321 V324 L325 T428 F430 Y445Y321-D327 VanDerWaalsContact CE1-OD2 3.28Å; Y321-D327 WeakPolarHBondContact CE1-OD2 3.44Å; Y321-D327 VanDerWaalsContact CZ-OD2 3.27Å; Y321-D327 VanDerWaalsContact OH-CG 3.31Å; Y321-D327 PolarHBondContact OH-OD1 3.4Å; Y321-D327 PolarHBondContact OH-OD2 3.36Å; V324-D327 HydrophobicContact CG2-CB 3.76Å; V324-D327 PolarHBondContact N-OD2 3.26Å; V324-D327 WeakPolarHBondContact O-CB 3.43Å; V324-D327 PolarHBondContact O-N 3.22Å; L325-D327 PolarHBondContact O-N 2.79Å; L325-D327 VanDerWaalsContact O-N 3.1Å; D327-T428 HydrophobicContact CB-CG2 3.91Å; D327-T428 VanDerWaalsContact CG-CG2 3.46Å; D327-T428 WeakPolarHBondContact OD2-CG2 3.41Å; D327-F430 WeakPolarHBondContact O-CD2 3.48Å; D327-F430 PolarHBondContact O-N 3.18Å; D327-Y445 VanDerWaalsContact OD1-CE2 3.3Å; D327-Y445 WeakPolarHBondContact OD1-CE2 3.19Å; D327-Y445 PolarHBondContact OD1-OH 3.37Å
328V98.5Very high94.7Very high0 Ų047.6 Ų47.60%024%0.239CC..EExtended strand (participates in β ladder)trans-134.6121-172.560.90000110.8W349 P352 F430 F432 Y445 L448 K449 I452 V546V328-W349 HydrophobicContact CG1-CH2 4.16Å; V328-W349 HydrophobicContact CG1-CZ2 4.36Å; V328-P352 WeakPolarHBondContact O-CD 3.19Å; V328-P352 WeakPolarHBondContact O-CG 3.33Å; V328-F430 WeakPolarHBondContact CA-O 3.24Å; V328-F430 HydrophobicContact CB-CB 4.28Å; V328-F430 HydrophobicContact CG2-CB 4.31Å; V328-F432 HydrophobicContact CG2-CB 3.88Å; V328-Y445 HydrophobicContact CG1-CD2 3.67Å; V328-Y445 HydrophobicContact CG1-CE2 3.82Å; V328-L448 HydrophobicContact CG1-CB 4.1Å; V328-K449 HydrophobicContact CG1-CG 4.31Å; V328-I452 HydrophobicContact CB-CD1 4.14Å; V328-V546 HydrophobicContact CG2-CG1 3.9Å; V328-V546 HydrophobicContact CG2-CG2 4.36Å
329T98.7Very high95.1Very high7 Ų742.6 Ų42.64%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-91.5125.9174.2-62.10000110.2V331 P352 A354 V426 T428 F430 V431 F432T329-V331 HydrophobicContact CG2-CG2 4.35Å; T329-V331 PolarHBondContact O-N 3.4Å; T329-P352 WeakPolarHBondContact CA-O 3.38Å; T329-P352 HydrophobicContact CG2-CB 4.37Å; T329-A354 HydrophobicContact CG2-CB 3.85Å; T329-V426 HydrophobicContact CG2-CG1 4.4Å; T329-V426 HydrophobicContact CG2-CG2 3.91Å; T329-T428 VanDerWaalsContact CB-OG1 3.32Å; T329-T428 WeakPolarHBondContact CB-OG1 3.39Å; T329-T428 PolarHBondContact N-OG1 3.16Å; T329-T428 WeakPolarHBondContact OG1-CG2 3.3Å; T329-T428 PolarHBondContact OG1-OG1 2.92Å; T329-F430 PolarHBondContact N-O 3.08Å; T329-F430 VanDerWaalsContact N-O 3.08Å; T329-V431 CarbonylContact O-C 3.59Å; T329-V431 VanDerWaalsContact O-CA 3.29Å; T329-V431 WeakPolarHBondContact O-CA 3.46Å; T329-F432 PolarHBondContact O-N 2.73Å
330L98.7Very high95.2Very high2 Ų245.1 Ų45.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-71.2125.4166.4-167.9158.5000108.5T332 L345 W349 P352 L353 A354 F432 C434 P440L330-T332 HydrophobicContact CD2-CG2 4.05Å; L330-L345 HydrophobicContact CD1-CD1 3.99Å; L330-L345 HydrophobicContact CD2-CD2 4.21Å; L330-W349 HydrophobicContact CB-CD2 4.09Å; L330-W349 HydrophobicContact CB-CG 4.43Å; L330-W349 HydrophobicContact CB-CH2 4.48Å; L330-W349 HydrophobicContact CB-CZ2 3.75Å; L330-W349 HydrophobicContact CD1-CD2 3.71Å; L330-W349 HydrophobicContact CD1-CE3 3.96Å; L330-W349 HydrophobicContact CD1-CG 3.94Å; L330-W349 HydrophobicContact CD1-CZ3 4.46Å; L330-P352 PolarHBondContact N-O 3.13Å; L330-L353 HydrophobicContact CB-CD1 4.03Å; L330-L353 HydrophobicContact CD2-CD1 3.5Å; L330-L353 HydrophobicContact CG-CD1 4.29Å; L330-L353 CarbonylContact O-C 3.58Å; L330-L353 WeakPolarHBondContact O-CA 3.01Å; L330-L353 WeakPolarHBondContact O-CD1 3.37Å; L330-A354 PolarHBondContact O-N 3.24Å; L330-F432 WeakPolarHBondContact CA-O 3.46Å; L330-F432 HydrophobicContact CB-CD1 4.48Å; L330-F432 HydrophobicContact CD1-CD1 3.9Å; L330-F432 HydrophobicContact CD1-CE1 4.15Å; L330-F432 HydrophobicContact CG-CD1 3.99Å; L330-C434 HydrophobicContact CD2-CB 4.47Å; L330-C434 HydrophobicContact CG-CB 4.43Å; L330-P440 HydrophobicContact CD1-CG 3.86Å
331V98.7Very high95.4Very high7 Ų740.8 Ų40.84%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-111.3121.4179.5-1780000108.4T329 A354 A422 L423 V426 V431 F432 L433 C434T329-V331 HydrophobicContact CG2-CG2 4.35Å; T329-V331 PolarHBondContact O-N 3.4Å; V331-A354 WeakPolarHBondContact CA-O 3.42Å; V331-A422 HydrophobicContact CG1-CB 3.62Å; V331-L423 HydrophobicContact CG1-CB 4.22Å; V331-L423 HydrophobicContact CG2-CD1 4.35Å; V331-V426 HydrophobicContact CG2-CG2 3.58Å; V331-V431 HydrophobicContact CG2-CB 3.92Å; V331-V431 HydrophobicContact CG2-CG1 3.73Å; V331-F432 PolarHBondContact N-O 3.14Å; V331-L433 HydrophobicContact CB-CD2 3.87Å; V331-L433 HydrophobicContact CG1-CD2 4.32Å; V331-L433 HydrophobicContact CG2-CD2 4.18Å; V331-C434 PolarHBondContact O-N 3.42Å; V331-C434 VanDerWaalsContact O-O 3.08Å
332T98.3Very high95.4Very high1 Ų139.2 Ų39.21%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-145.4175.4-178.7-157.50000112.9L330 L345 L353 A354 V355 S356 C434 V436L330-T332 HydrophobicContact CD2-CG2 4.05Å; T332-L345 HydrophobicContact CG2-CD2 4.26Å; T332-L353 HydrophobicContact CG2-CD1 4.06Å; T332-A354 PolarHBondContact N-O 3.36Å; T332-V355 HydrophobicContact CG2-CB 4.1Å; T332-V355 HydrophobicContact CG2-CG2 3.84Å; T332-V355 WeakPolarHBondContact O-CA 3.45Å; T332-S356 PolarHBondContact O-N 3.24Å; T332-S356 VanDerWaalsContact O-N 3.14Å; T332-C434 WeakPolarHBondContact CB-O 3.48Å; T332-C434 PolarHBondContact OG1-O 2.88Å; T332-V436 WeakPolarHBondContact OG1-CA 3.46Å; T332-V436 PolarHBondContact OG1-N 2.78Å
333Q98.1Very high95.2Very high12 Ų1239.5 Ų39.56%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-148.9151.217957.774.136.700110.2S356 Y413 I415 L418 R419Q333-S356 CarbonylContact C-O 3.59Å; Q333-S356 WeakPolarHBondContact CA-O 3.37Å; Q333-Y413 PolarHBondContact OE1-OH 3.13Å; Q333-I415 HydrophobicContact CG-CG1 4.45Å; Q333-L418 HydrophobicContact CB-CB 3.61Å; Q333-L418 HydrophobicContact CB-CD1 4.38Å; Q333-L418 HydrophobicContact CG-CB 4.08Å; Q333-R419 HydrophobicContact CG-CG 3.81Å
334L96.8Very high94.9Very high2 Ų238.6 Ų38.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-154.7157.6179.872157000114.1R338 M339 L342 V355 S356 M357 Y358 Y413 V436L334-R338 HydrophobicContact CB-CB 3.97Å; L334-R338 HydrophobicContact CD1-CB 3.99Å; L334-M339 HydrophobicContact CD1-SD 3.79Å; L334-L342 HydrophobicContact CD1-CB 3.93Å; L334-L342 HydrophobicContact CD1-CD2 4.23Å; L334-L342 HydrophobicContact CD2-CD2 4.35Å; L334-V355 HydrophobicContact CD2-CG2 3.06Å; L334-S356 PolarHBondContact N-O 3.04Å; L334-M357 HydrophobicContact CD2-CG 3.63Å; L334-M357 HydrophobicContact CG-CG 4.16Å; L334-M357 CarbonylContact O-C 3.59Å; L334-M357 WeakPolarHBondContact O-CA 3.37Å; L334-Y358 PolarHBondContact O-N 3.05Å; L334-Y413 WeakPolarHBondContact CA-OH 3.4Å; L334-Y413 PolarHBondContact O-OH 3.01Å; L334-V436 HydrophobicContact CB-CB 4.14Å; L334-V436 HydrophobicContact CB-CG1 3.84Å; L334-V436 HydrophobicContact CB-CG2 4.1Å; L334-V436 HydrophobicContact CD1-CG2 4.41Å
335S94.7Very high94.8Very high25 Ų2534.7 Ų34.718%0.17517%0.172CC..EExtended strand (participates in β ladder)trans-87.8165.2163.751.90000111.2D337 R338 Y413S335-D337 VanDerWaalsContact C-N 3.26Å; S335-D337 WeakPolarHBondContact CB-OD1 3.45Å; S335-D337 PolarHBondContact O-N 2.86Å; S335-D337 PolarHBondContact OG-OD1 2.77Å; S335-R338 PolarHBondContact O-N 3.48Å; S335-Y413 PolarHBondContact N-OH 2.68Å
336F92.8Very high94.6Very high69 Ų6930.1 Ų30.130%0.30315%0.147SC..G310 helixtrans-53.4-36.8179.5178.9-99.6000114.2R338 M339 L359 E363 L367F336-R338 PolarHBondContact O-N 2.55Å; F336-R338 VanDerWaalsContact O-N 3.14Å; F336-M339 WeakPolarHBondContact O-CG 3.21Å; F336-M339 PolarHBondContact O-N 3.25Å; F336-L359 HydrophobicContact CB-CB 4.44Å; F336-E363 HydrophobicContact CB-CG 4.31Å; F336-E363 HydrophobicContact CD1-CG 4.06Å; F336-E363 HydrophobicContact CD2-CB 3.62Å; F336-E363 HydrophobicContact CD2-CG 3.83Å; F336-E363 HydrophobicContact CE1-CG 4.33Å; F336-E363 HydrophobicContact CE2-CB 3.86Å; F336-E363 HydrophobicContact CE2-CG 4.08Å; F336-E363 HydrophobicContact CG-CB 4.09Å; F336-E363 HydrophobicContact CG-CG 3.81Å; F336-E363 HydrophobicContact CZ-CG 4.34Å; F336-L367 HydrophobicContact CD2-CD1 3.79Å; F336-L367 HydrophobicContact CD2-CD2 4.35Å; F336-L367 HydrophobicContact CD2-CG 4.1Å; F336-L367 HydrophobicContact CE2-CD1 3.9Å; F336-L367 HydrophobicContact CE2-CD2 3.76Å; F336-L367 HydrophobicContact CE2-CG 3.66Å
337D91.9Very high94.3Very high98 Ų9831.8 Ų31.852%0.52416%0.158SC..G310 helixtrans-70.9-5.7-179.763.2-65.3000114.3S335S335-D337 VanDerWaalsContact C-N 3.26Å; S335-D337 WeakPolarHBondContact CB-OD1 3.45Å; S335-D337 PolarHBondContact O-N 2.86Å; S335-D337 PolarHBondContact OG-OD1 2.77Å
338R93Very high94.1Very high29 Ų2934.1 Ų34.111%0.10917%0.167CC..G310 helixtrans-102.611.3177.8-69.1-65.9-175-85.2-6113.8L334 S335 F336 S340 V341 L342 V436 D437 H600 A601L334-R338 HydrophobicContact CB-CB 3.97Å; L334-R338 HydrophobicContact CD1-CB 3.99Å; S335-R338 PolarHBondContact O-N 3.48Å; F336-R338 PolarHBondContact O-N 2.55Å; F336-R338 VanDerWaalsContact O-N 3.14Å; R338-S340 VanDerWaalsContact C-N 3.27Å; R338-S340 PolarHBondContact O-N 3.37Å; R338-V341 WeakPolarHBondContact O-CB 2.9Å; R338-V341 PolarHBondContact O-N 3.32Å; R338-L342 PolarHBondContact O-N 3.35Å; R338-L342 VanDerWaalsContact O-N 3.1Å; R338-V436 HydrophobicContact CB-CG1 4.24Å; R338-V436 HydrophobicContact CG-CG1 4.38Å; R338-D437 WeakPolarHBondContact CD-OD1 3.1Å; R338-D437 IonicContact NE-OD1 3.5Å; R338-D437 PolarHBondContact NE-OD1 3.32Å; R338-H600 PolarHBondContact NH2-ND1 2.96Å; R338-A601 PolarHBondContact NH2-O 3.36Å
339M90.5Very high94Very high13 Ų1334.1 Ų34.16%0.06417%0.167CC..Hα-helixtrans-61.5-30.8-179.2-77.2-57.3-76.400114.8L334 F336 V341 L342 R343 M357 L367 Y370 F371L334-M339 HydrophobicContact CD1-SD 3.79Å; F336-M339 WeakPolarHBondContact O-CG 3.21Å; F336-M339 PolarHBondContact O-N 3.25Å; M339-V341 VanDerWaalsContact C-N 3.33Å; M339-L342 HydrophobicContact CE-CD2 4.23Å; M339-L342 PolarHBondContact O-N 3.49Å; M339-L342 HydrophobicContact SD-CD2 3.96Å; M339-R343 PolarHBondContact O-N 3.28Å; M339-M357 HydrophobicContact CE-CE 3.7Å; M339-M357 HydrophobicContact CG-CE 4.37Å; M339-M357 HydrophobicContact SD-CE 3.17Å; M339-M357 WeakPolarHBondContact SD-CE 3.42Å; M339-M357 HydrophobicContact SD-SD 4.21Å; M339-L367 HydrophobicContact CE-CD1 3.99Å; M339-L367 HydrophobicContact CE-CD2 3.81Å; M339-L367 HydrophobicContact CE-CG 4.48Å; M339-L367 HydrophobicContact CG-CD1 4.31Å; M339-L367 HydrophobicContact CG-CD2 4.13Å; M339-L367 HydrophobicContact SD-CD1 4.33Å; M339-Y370 HydrophobicContact CE-CD1 3.46Å; M339-Y370 VanDerWaalsContact CE-CD1 3.46Å; M339-Y370 HydrophobicContact CE-CE1 3.22Å; M339-Y370 PolarHBondContact O-OH 2.98Å; M339-Y370 VanDerWaalsContact O-OH 3.06Å; M339-F371 HydrophobicContact CE-CE1 3.9Å; M339-F371 HydrophobicContact CE-CZ 4.14Å
340S89Confident93.8Very high80 Ų8036.7 Ų36.756%0.55919%0.186SC*.Hα-helixtrans-65-37.6173.254.60000112.1R338 R343 L344R338-S340 VanDerWaalsContact C-N 3.27Å; R338-S340 PolarHBondContact O-N 3.37Å; S340-R343 PolarHBondContact O-N 2.97Å; S340-L344 PolarHBondContact O-N 3.17Å
341V92.4Very high93.7Very high4 Ų436.6 Ų36.62%0.02419%0.185CC..Hα-helixtrans-70.9-39.4177.7-169.70000110.7R338 M339 R343 L344 L345 V436 I439 Y598R338-V341 WeakPolarHBondContact O-CB 2.9Å; R338-V341 PolarHBondContact O-N 3.32Å; M339-V341 VanDerWaalsContact C-N 3.33Å; V341-R343 VanDerWaalsContact C-N 3.29Å; V341-R343 PolarHBondContact O-N 3.4Å; V341-L344 WeakPolarHBondContact O-CB 3.4Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-L344 VanDerWaalsContact O-N 3.1Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 PolarHBondContact O-N 3Å; V341-V436 HydrophobicContact CG1-CG2 4.43Å; V341-V436 WeakPolarHBondContact CG1-O 3.31Å; V341-I439 HydrophobicContact CG1-CD1 4.04Å; V341-Y598 HydrophobicContact CG2-CD1 3.98Å; V341-Y598 HydrophobicContact CG2-CE1 4.42Å
342L92.5Very high93.6Very high4 Ų436.3 Ų36.32%0.02118%0.183CC..Hα-helixtrans-58.4-41.5173.3177.861000111.8L334 R338 M339 L344 L345 L346 L353 V355 M357L334-L342 HydrophobicContact CD1-CB 3.93Å; L334-L342 HydrophobicContact CD1-CD2 4.23Å; L334-L342 HydrophobicContact CD2-CD2 4.35Å; R338-L342 PolarHBondContact O-N 3.35Å; R338-L342 VanDerWaalsContact O-N 3.1Å; M339-L342 HydrophobicContact CE-CD2 4.23Å; M339-L342 PolarHBondContact O-N 3.49Å; M339-L342 HydrophobicContact SD-CD2 3.96Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 3.35Å; L342-L345 HydrophobicContact CD1-CD2 4.45Å; L342-L345 PolarHBondContact O-N 2.8Å; L342-L346 HydrophobicContact CD1-CD1 4.46Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.2Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.38Å; L342-L346 PolarHBondContact O-N 2.92Å; L342-L353 HydrophobicContact CD1-CD2 4.02Å; L342-V355 HydrophobicContact CD1-CG2 4.39Å; L342-M357 HydrophobicContact CD2-SD 4.42Å
343R90.1Very high93.5Very high143 Ų14336.4 Ų36.454%0.5418%0.184SC..Hα-helixtrans-61.5-39.8175.6176.8177.4176.9179.5-0.8112.2M339 S340 V341 Q347 Y370M339-R343 PolarHBondContact O-N 3.28Å; S340-R343 PolarHBondContact O-N 2.97Å; V341-R343 VanDerWaalsContact C-N 3.29Å; V341-R343 PolarHBondContact O-N 3.4Å; R343-Q347 WeakPolarHBondContact O-CG 3.08Å; R343-Q347 PolarHBondContact O-N 3.42Å; R343-Y370 WeakPolarHBondContact CB-OH 3.27Å
344L90.4Very high93.5Very high30 Ų3035.9 Ų35.916%0.15718%0.181CC..Hα-helixtrans-66.7-45.8175.7-178.764000111.1S340 V341 L342 L346 Q347 Y348 I439 F477 Y598S340-L344 PolarHBondContact O-N 3.17Å; V341-L344 WeakPolarHBondContact O-CB 3.4Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-L344 VanDerWaalsContact O-N 3.1Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 3.35Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 2.68Å; L344-Q347 WeakPolarHBondContact O-CB 2.99Å; L344-Q347 PolarHBondContact O-N 3.3Å; L344-Y348 HydrophobicContact CD1-CD2 3.91Å; L344-Y348 HydrophobicContact CD1-CE2 3.55Å; L344-Y348 HydrophobicContact CG-CD2 4.41Å; L344-Y348 HydrophobicContact CG-CE2 4.44Å; L344-Y348 WeakPolarHBondContact O-CD2 3.47Å; L344-Y348 PolarHBondContact O-N 2.76Å; L344-I439 HydrophobicContact CB-CD1 4.33Å; L344-I439 HydrophobicContact CD2-CD1 3.98Å; L344-I439 HydrophobicContact CD2-CG1 3.84Å; L344-I439 HydrophobicContact CG-CD1 3.97Å; L344-I439 HydrophobicContact CG-CG1 4.12Å; L344-F477 HydrophobicContact CD1-CE2 4.17Å; L344-F477 HydrophobicContact CD2-CE2 3.61Å; L344-F477 HydrophobicContact CD2-CZ 3.71Å; L344-F477 HydrophobicContact CG-CE2 4.28Å; L344-Y598 HydrophobicContact CD2-CD2 4Å; L344-Y598 HydrophobicContact CD2-CE2 4.21Å; L344-Y598 HydrophobicContact CD2-CG 4.37Å
345L93.8Very high93.5Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-55.7-43.7176.2-179.162.7000111.8L330 T332 V341 L342 Q347 Y348 W349 L353 I439 P440L330-L345 HydrophobicContact CD1-CD1 3.99Å; L330-L345 HydrophobicContact CD2-CD2 4.21Å; T332-L345 HydrophobicContact CG2-CD2 4.26Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 PolarHBondContact O-N 3Å; L342-L345 HydrophobicContact CD1-CD2 4.45Å; L342-L345 PolarHBondContact O-N 2.8Å; L345-Q347 PolarHBondContact O-N 3.3Å; L345-Y348 PolarHBondContact O-N 3.4Å; L345-W349 HydrophobicContact CD1-CB 4.23Å; L345-W349 VanDerWaalsContact O-CB 3.29Å; L345-W349 WeakPolarHBondContact O-CB 3.37Å; L345-W349 PolarHBondContact O-N 3.44Å; L345-L353 HydrophobicContact CD2-CD1 4.31Å; L345-I439 HydrophobicContact CB-CD1 4.05Å; L345-I439 HydrophobicContact CD1-CD1 4.39Å; L345-P440 VanDerWaalsContact CD1-CD 3.45Å; L345-P440 HydrophobicContact CD1-CG 4.25Å
346L92.3Very high93.7Very high27 Ų2734.6 Ų34.614%0.14117%0.173CC..Hα-helixtrans-62.4-24.6177.6-74166.9000114.1L342 L344 L353 L374 L376 R379 V382L342-L346 HydrophobicContact CD1-CD1 4.46Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.2Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.38Å; L342-L346 PolarHBondContact O-N 2.92Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 2.68Å; L346-L353 HydrophobicContact CD2-CD2 3.67Å; L346-L353 HydrophobicContact CG-CD2 4.38Å; L346-L374 HydrophobicContact CD1-CD2 3.67Å; L346-L376 HydrophobicContact CD1-CD2 3.59Å; L346-L376 HydrophobicContact CD2-CD2 3.6Å; L346-L376 HydrophobicContact CG-CD2 4.25Å; L346-R379 PolarHBondContact O-NH1 2.83Å; L346-V382 HydrophobicContact CD2-CG1 4.31Å; L346-V382 HydrophobicContact CD2-CG2 3.94Å
347Q90.8Very high93.9Very high113 Ų11331.3 Ų31.353%0.52816%0.158SC..Hα-helixtrans-78.6-37.7175.5-66.8170.319.900112R343 L344 L345R343-Q347 WeakPolarHBondContact O-CG 3.08Å; R343-Q347 PolarHBondContact O-N 3.42Å; L344-Q347 WeakPolarHBondContact O-CB 2.99Å; L344-Q347 PolarHBondContact O-N 3.3Å; L345-Q347 PolarHBondContact O-N 3.3Å
348Y93.8Very high94.1Very high50 Ų5027.1 Ų27.120%0.19614%0.135CC..Hα-helixtrans-91.7-23.5-174.9-77.4-101.5000113.4L344 L345 I439 M442 F477L344-Y348 HydrophobicContact CD1-CD2 3.91Å; L344-Y348 HydrophobicContact CD1-CE2 3.55Å; L344-Y348 HydrophobicContact CG-CD2 4.41Å; L344-Y348 HydrophobicContact CG-CE2 4.44Å; L344-Y348 WeakPolarHBondContact O-CD2 3.47Å; L344-Y348 PolarHBondContact O-N 2.76Å; L345-Y348 PolarHBondContact O-N 3.4Å; Y348-I439 HydrophobicContact CD1-CG2 4.06Å; Y348-I439 HydrophobicContact CD2-CG2 3.92Å; Y348-I439 HydrophobicContact CG-CG2 3.59Å; Y348-M442 HydrophobicContact CD1-CB 4.33Å; Y348-M442 HydrophobicContact CD1-SD 4.26Å; Y348-M442 VanDerWaalsContact O-CE 3.28Å; Y348-M442 WeakPolarHBondContact O-CE 3.27Å; Y348-F477 HydrophobicContact CE1-CB 3.78Å; Y348-F477 HydrophobicContact CE1-CD2 4.4Å; Y348-F477 HydrophobicContact CE1-CG 4.21Å; Y348-F477 HydrophobicContact CE2-CD2 4.34Å; Y348-F477 AromaticContact CZ-CD2 3.9Å
349W95.8Very high94.2Very high1 Ų125.7 Ų25.70%0.00413%0.13CC..  trans-107104179.8-176.8-100.6000111.6V328 L330 L345 G351 P352 R379 F432 P440 A444 Y445 L448V328-W349 HydrophobicContact CG1-CH2 4.16Å; V328-W349 HydrophobicContact CG1-CZ2 4.36Å; L330-W349 HydrophobicContact CB-CD2 4.09Å; L330-W349 HydrophobicContact CB-CG 4.43Å; L330-W349 HydrophobicContact CB-CH2 4.48Å; L330-W349 HydrophobicContact CB-CZ2 3.75Å; L330-W349 HydrophobicContact CD1-CD2 3.71Å; L330-W349 HydrophobicContact CD1-CE3 3.96Å; L330-W349 HydrophobicContact CD1-CG 3.94Å; L330-W349 HydrophobicContact CD1-CZ3 4.46Å; L345-W349 HydrophobicContact CD1-CB 4.23Å; L345-W349 VanDerWaalsContact O-CB 3.29Å; L345-W349 WeakPolarHBondContact O-CB 3.37Å; L345-W349 PolarHBondContact O-N 3.44Å; W349-G351 VanDerWaalsContact NE1-C 3.28Å; W349-G351 PolarHBondContact NE1-O 3.46Å; W349-P352 PolarHBondContact NE1-O 3.23Å; W349-R379 PolarHBondContact O-NH1 3.09Å; W349-F432 HydrophobicContact CH2-CD1 4.04Å; W349-F432 HydrophobicContact CZ3-CD1 4.03Å; W349-F432 HydrophobicContact CZ3-CE1 4.48Å; W349-P440 HydrophobicContact CE3-CB 4.12Å; W349-P440 HydrophobicContact CE3-CG 3.96Å; W349-P440 HydrophobicContact CZ3-CB 4.48Å; W349-P440 HydrophobicContact CZ3-CG 4.49Å; W349-A444 HydrophobicContact CE3-CB 4.47Å; W349-A444 HydrophobicContact CZ3-CB 4.14Å; W349-Y445 HydrophobicContact CH2-CD2 4.06Å; W349-Y445 AromaticContact CZ2-CD2 3.85Å; W349-Y445 HydrophobicContact CZ2-CD2 3.85Å; W349-Y445 HydrophobicContact CZ2-CG 4.47Å; W349-L448 HydrophobicContact CH2-CD1 3.82Å; W349-L448 HydrophobicContact CZ3-CD1 3.92Å
350S94.6Very high94.4Very high61 Ų6127.5 Ų27.543%0.42714%0.141SC..  trans-81.5-22.1179.253.80000114.5R379 N381S350-R379 PolarHBondContact O-NH2 2.97Å; S350-N381 PolarHBondContact O-ND2 2.99Å
351G96.6Very high94.6Very high0 Ų024 Ų240%012%0.116CC..SBendtrans-73.7176-177.600000114.5W349 R379 Y445W349-G351 VanDerWaalsContact NE1-C 3.28Å; W349-G351 PolarHBondContact NE1-O 3.46Å; G351-R379 PolarHBondContact O-NH2 3.08Å; G351-Y445 VanDerWaalsContact CA-CD2 3.47Å; G351-Y445 VanDerWaalsContact CA-CG 3.48Å
352P97.4Very high94.7Very high1 Ų125 Ų251%0.00613%0.125CC..  trans-59.6146177.421.5-26.8000111.8Y321 V328 T329 L330 W349 N381 T428Y321-P352 HydrophobicContact CD1-CB 4.19Å; Y321-P352 HydrophobicContact CE1-CB 3.78Å; Y321-P352 HydrophobicContact CE1-CG 3.8Å; V328-P352 WeakPolarHBondContact O-CD 3.19Å; V328-P352 WeakPolarHBondContact O-CG 3.33Å; T329-P352 WeakPolarHBondContact CA-O 3.38Å; T329-P352 HydrophobicContact CG2-CB 4.37Å; L330-P352 PolarHBondContact N-O 3.13Å; W349-P352 PolarHBondContact NE1-O 3.23Å; P352-N381 VanDerWaalsContact CA-O 3.27Å; P352-N381 WeakPolarHBondContact CA-O 3.32Å; P352-N381 HydrophobicContact CB-CB 4.34Å; P352-T428 HydrophobicContact CG-CG2 3.85Å
353L97.1Very high94.8Very high2 Ų226.7 Ų26.71%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-133.8128-176.6173.565000109.6L330 T332 L342 L345 L346 V355 N381 V382 A383L330-L353 HydrophobicContact CB-CD1 4.03Å; L330-L353 HydrophobicContact CD2-CD1 3.5Å; L330-L353 HydrophobicContact CG-CD1 4.29Å; L330-L353 CarbonylContact O-C 3.58Å; L330-L353 WeakPolarHBondContact O-CA 3.01Å; L330-L353 WeakPolarHBondContact O-CD1 3.37Å; T332-L353 HydrophobicContact CG2-CD1 4.06Å; L342-L353 HydrophobicContact CD1-CD2 4.02Å; L345-L353 HydrophobicContact CD2-CD1 4.31Å; L346-L353 HydrophobicContact CD2-CD2 3.67Å; L346-L353 HydrophobicContact CG-CD2 4.38Å; L353-V355 HydrophobicContact CG-CB 4.47Å; L353-N381 PolarHBondContact N-O 2.77Å; L353-V382 HydrophobicContact CB-CB 4.45Å; L353-V382 HydrophobicContact CB-CG1 4.07Å; L353-V382 HydrophobicContact CB-CG2 4.12Å; L353-V382 HydrophobicContact CD2-CG1 3.85Å; L353-V382 HydrophobicContact CG-CG1 4.08Å; L353-V382 CarbonylContact O-C 3.52Å; L353-V382 WeakPolarHBondContact O-CA 3.44Å; L353-A383 PolarHBondContact O-N 3.28Å
354A97.6Very high94.9Very high1 Ų120.3 Ų20.31%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-112.3121.6168.700000109.1T329 L330 V331 T332 A422 S425 V426T329-A354 HydrophobicContact CG2-CB 3.85Å; L330-A354 PolarHBondContact O-N 3.24Å; V331-A354 WeakPolarHBondContact CA-O 3.42Å; T332-A354 PolarHBondContact N-O 3.36Å; A354-A422 HydrophobicContact CB-CB 4.32Å; A354-S425 WeakPolarHBondContact CB-OG 3.28Å; A354-V426 HydrophobicContact CB-CG2 4.1Å
355V97.3Very high94.9Very high0 Ų020.6 Ų20.60%011%0.11CC..EExtended strand (participates in β ladder)trans-132.2125.5-173.161.70000112T332 L334 L342 L353 M357 A383 V384 H385T332-V355 HydrophobicContact CG2-CB 4.1Å; T332-V355 HydrophobicContact CG2-CG2 3.84Å; T332-V355 WeakPolarHBondContact O-CA 3.45Å; L334-V355 HydrophobicContact CD2-CG2 3.06Å; L342-V355 HydrophobicContact CD1-CG2 4.39Å; L353-V355 HydrophobicContact CG-CB 4.47Å; V355-M357 HydrophobicContact CG2-CG 4.27Å; V355-A383 WeakPolarHBondContact CG1-O 3.45Å; V355-A383 PolarHBondContact N-O 3.09Å; V355-V384 HydrophobicContact CG1-CB 4.26Å; V355-V384 HydrophobicContact CG1-CG1 4.41Å; V355-V384 HydrophobicContact CG1-CG2 3.84Å; V355-H385 PolarHBondContact O-CD2 3.36Å; V355-H385 PolarHBondContact O-N 3.34Å
356S98.1Very high94.6Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-100121.5171.4-70.10000111T332 Q333 L334 H385 L418 I421 A422T332-S356 PolarHBondContact O-N 3.24Å; T332-S356 VanDerWaalsContact O-N 3.14Å; Q333-S356 CarbonylContact C-O 3.59Å; Q333-S356 WeakPolarHBondContact CA-O 3.37Å; L334-S356 PolarHBondContact N-O 3.04Å; S356-H385 CarbonylContact C-O 3.41Å; S356-H385 WeakPolarHBondContact CA-O 3Å; S356-L418 WeakPolarHBondContact CB-O 3.34Å; S356-L418 PolarHBondContact OG-O 2.79Å; S356-I421 WeakPolarHBondContact OG-CG2 3.34Å; S356-A422 WeakPolarHBondContact OG-CB 3.07Å; S356-A422 PolarHBondContact OG-N 3.26Å; S356-A422 VanDerWaalsContact OG-N 3.16Å
357M96.5Very high94.3Very high0 Ų025.1 Ų25.10%013%0.131CC..EExtended strand (participates in β ladder)trans-106.3124.9-178.5-64.6179.856.600110.9L334 M339 L342 V355 L359 L367 F371 V384 H385 V387L334-M357 HydrophobicContact CD2-CG 3.63Å; L334-M357 HydrophobicContact CG-CG 4.16Å; L334-M357 CarbonylContact O-C 3.59Å; L334-M357 WeakPolarHBondContact O-CA 3.37Å; M339-M357 HydrophobicContact CE-CE 3.7Å; M339-M357 HydrophobicContact CG-CE 4.37Å; M339-M357 HydrophobicContact SD-CE 3.17Å; M339-M357 WeakPolarHBondContact SD-CE 3.42Å; M339-M357 HydrophobicContact SD-SD 4.21Å; L342-M357 HydrophobicContact CD2-SD 4.42Å; V355-M357 HydrophobicContact CG2-CG 4.27Å; M357-L359 HydrophobicContact CB-CD2 3.83Å; M357-L359 HydrophobicContact CE-CD2 3.67Å; M357-L367 HydrophobicContact CE-CD1 3.6Å; M357-F371 HydrophobicContact CE-CE1 4.24Å; M357-F371 HydrophobicContact CE-CZ 3.58Å; M357-F371 HydrophobicContact SD-CE1 3.98Å; M357-F371 HydrophobicContact SD-CZ 3.62Å; M357-V384 HydrophobicContact CG-CG1 4.42Å; M357-V384 HydrophobicContact SD-CG1 3.59Å; M357-V384 VanDerWaalsContact SD-CG1 3.59Å; M357-H385 PolarHBondContact N-O 3.45Å; M357-V387 PolarHBondContact O-N 3.35Å
358Y96.7Very high93.7Very high10 Ų1020.8 Ų20.84%0.03911%0.11CC..EExtended strand (participates in β ladder)trans-101107178.8-172.6-118.5000111.5H310 L334 V387 K389 Y413 P414 L418H310-Y358 AromaticContact CD2-CE2 3.76Å; H310-Y358 AromaticContact NE2-CE2 3.84Å; L334-Y358 PolarHBondContact O-N 3.05Å; Y358-V387 WeakPolarHBondContact CA-O 3.5Å; Y358-V387 HydrophobicContact CD2-CB 4.31Å; Y358-V387 HydrophobicContact CD2-CG1 4.16Å; Y358-V387 WeakPolarHBondContact CD2-O 3.43Å; Y358-K389 HydrophobicContact CD1-CG 3.94Å; Y358-K389 HydrophobicContact CD2-CG 4.24Å; Y358-K389 HydrophobicContact CE1-CD 4.29Å; Y358-K389 HydrophobicContact CE1-CG 3.62Å; Y358-K389 HydrophobicContact CE2-CB 4.38Å; Y358-K389 HydrophobicContact CE2-CG 3.91Å; Y358-K389 HydrophobicContact CG-CG 4.26Å; Y358-Y413 AromaticContact CD1-CD2 3.5Å; Y358-Y413 HydrophobicContact CD1-CD2 3.5Å; Y358-Y413 AromaticContact CD1-CE2 3.52Å; Y358-Y413 HydrophobicContact CD1-CE2 3.52Å; Y358-Y413 HydrophobicContact CE1-CD2 4.01Å; Y358-Y413 HydrophobicContact CE1-CE2 4.46Å; Y358-Y413 HydrophobicContact CG-CD2 4.29Å; Y358-Y413 AromaticContact CG-CE2 3.96Å; Y358-Y413 HydrophobicContact CG-CE2 3.96Å; Y358-P414 HydrophobicContact CD2-CG 4.01Å; Y358-P414 HydrophobicContact CE2-CG 3.75Å; Y358-L418 HydrophobicContact CD2-CD2 4.24Å; Y358-L418 HydrophobicContact CG-CD1 4.35Å; Y358-L418 HydrophobicContact CG-CD2 4.49Å
359L94.9Very high92.8Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-153.8162.2-167.255.882000113.8F336 M357 E363 L364 L367 V386 V387 F388 K389F336-L359 HydrophobicContact CB-CB 4.44Å; M357-L359 HydrophobicContact CB-CD2 3.83Å; M357-L359 HydrophobicContact CE-CD2 3.67Å; L359-E363 WeakPolarHBondContact CA-OE2 3.36Å; L359-E363 HydrophobicContact CB-CB 3.96Å; L359-E363 WeakPolarHBondContact CB-OE2 3.35Å; L359-L364 HydrophobicContact CD1-CB 3.54Å; L359-L364 HydrophobicContact CD1-CD1 4.26Å; L359-L364 HydrophobicContact CD1-CG 4.33Å; L359-L367 HydrophobicContact CD2-CD1 3.91Å; L359-V386 HydrophobicContact CD1-CG1 3.4Å; L359-V386 HydrophobicContact CD2-CG1 4.42Å; L359-V386 HydrophobicContact CD2-CG2 4.47Å; L359-V386 HydrophobicContact CG-CG1 3.88Å; L359-V387 PolarHBondContact N-O 3.09Å; L359-F388 CarbonylContact O-C 3.58Å; L359-F388 WeakPolarHBondContact O-CA 3.35Å; L359-K389 PolarHBondContact O-N 3.22Å
360T94.3Very high91.9Very high50 Ų5024.6 Ų24.631%0.30713%0.131SC..  trans-80.6164172.266.60000111.4A362 E363 L364 K389T360-A362 VanDerWaalsContact C-N 3.26Å; T360-A362 PolarHBondContact O-N 2.9Å; T360-E363 PolarHBondContact N-OE2 2.7Å; T360-E363 PolarHBondContact O-N 3.21Å; T360-E363 WeakPolarHBondContact OG1-CB 3.23Å; T360-E363 VanDerWaalsContact OG1-CG 3.29Å; T360-E363 WeakPolarHBondContact OG1-CG 3.41Å; T360-E363 PolarHBondContact OG1-N 3.01Å; T360-L364 PolarHBondContact O-N 2.86Å; T360-K389 HydrophobicContact CG2-CB 4.23Å; T360-K389 HydrophobicContact CG2-CD 3.74Å; T360-K389 HydrophobicContact CG2-CG 4.43Å
361D94.2Very high90.9Very high6 Ų622.5 Ų22.53%0.03211%0.114CC..Hα-helixtrans-57.9-40.1171.3-64.2-105.4000112.3K12 L264 G266 R311 L364 H365 F388K12-D361 VanDerWaalsContact CE-OD1 3.27Å; K12-D361 WeakPolarHBondContact CE-OD1 3.21Å; K12-D361 VanDerWaalsContact NZ-CG 3.29Å; K12-D361 IonicContact NZ-OD1 2.57Å; K12-D361 PolarHBondContact NZ-OD1 2.83Å; L264-D361 WeakPolarHBondContact O-CB 3.48Å; G266-D361 PolarHBondContact N-OD2 3.47Å; R311-D361 IonicContact CZ-OD1 3.96Å; R311-D361 IonicContact CZ-OD2 3.91Å; R311-D361 IonicContact NH1-OD1 3.39Å; R311-D361 PolarHBondContact NH1-OD1 3.1Å; R311-D361 IonicContact NH1-OD2 3.3Å; R311-D361 PolarHBondContact NH1-OD2 3.31Å; R311-D361 IonicContact NH2-OD1 3.59Å; R311-D361 IonicContact NH2-OD2 2.7Å; R311-D361 PolarHBondContact NH2-OD2 2.89Å; D361-L364 WeakPolarHBondContact O-CB 3.36Å; D361-L364 PolarHBondContact O-N 3.31Å; D361-H365 PolarHBondContact O-N 3.1Å; D361-F388 HydrophobicContact CB-CE1 4.44Å; D361-F388 WeakPolarHBondContact OD1-CE1 3.41Å; D361-F388 WeakPolarHBondContact OD2-CD1 3.45Å
362A93.8Very high89.5Confident26 Ų2625.3 Ų25.322%0.21513%0.129CC..Hα-helixtrans-63.6-44.7174.700000112.4E263 T360 L364 H365 H366E263-A362 HydrophobicContact CB-CB 3.85Å; E263-A362 HydrophobicContact CG-CB 3.9Å; T360-A362 VanDerWaalsContact C-N 3.26Å; T360-A362 PolarHBondContact O-N 2.9Å; A362-L364 VanDerWaalsContact C-N 3.27Å; A362-L364 PolarHBondContact O-N 2.8Å; A362-H365 WeakPolarHBondContact O-CB 3.28Å; A362-H365 PolarHBondContact O-N 3.26Å; A362-H366 PolarHBondContact O-N 3.4Å; A362-H366 VanDerWaalsContact O-N 3.07Å; A362-H366 PolarHBondContact O-ND1 3.43Å
363E94.1Very high88.1Confident40 Ų4032.8 Ų32.819%0.18716%0.161CC..Hα-helixtrans-60.5-37.6174.7-76.6168.7168.300111.2F336 L359 T360 H366 L367 K389F336-E363 HydrophobicContact CB-CG 4.31Å; F336-E363 HydrophobicContact CD1-CG 4.06Å; F336-E363 HydrophobicContact CD2-CB 3.62Å; F336-E363 HydrophobicContact CD2-CG 3.83Å; F336-E363 HydrophobicContact CE1-CG 4.33Å; F336-E363 HydrophobicContact CE2-CB 3.86Å; F336-E363 HydrophobicContact CE2-CG 4.08Å; F336-E363 HydrophobicContact CG-CB 4.09Å; F336-E363 HydrophobicContact CG-CG 3.81Å; F336-E363 HydrophobicContact CZ-CG 4.34Å; L359-E363 WeakPolarHBondContact CA-OE2 3.36Å; L359-E363 HydrophobicContact CB-CB 3.96Å; L359-E363 WeakPolarHBondContact CB-OE2 3.35Å; T360-E363 PolarHBondContact N-OE2 2.7Å; T360-E363 PolarHBondContact O-N 3.21Å; T360-E363 WeakPolarHBondContact OG1-CB 3.23Å; T360-E363 VanDerWaalsContact OG1-CG 3.29Å; T360-E363 WeakPolarHBondContact OG1-CG 3.41Å; T360-E363 PolarHBondContact OG1-N 3.01Å; E363-H366 PolarHBondContact O-N 3.43Å; E363-L367 VanDerWaalsContact O-CG 3.32Å; E363-L367 WeakPolarHBondContact O-CG 3.42Å; E363-L367 PolarHBondContact O-N 3.21Å; E363-L367 VanDerWaalsContact O-N 3.15Å; E363-K389 VanDerWaalsContact CD-NZ 3.26Å; E363-K389 IonicContact OE1-NZ 3.54Å; E363-K389 PolarHBondContact OE1-NZ 2.98Å; E363-K389 IonicContact OE2-NZ 2.69Å; E363-K389 PolarHBondContact OE2-NZ 2.85Å
364L92.3Very high86.3Confident9 Ų934.2 Ų34.25%0.04717%0.169CC..Hα-helixtrans-63.2-46.2175.1-173.553.3000112L5 L359 T360 D361 A362 H366 L367 E368 F371 V386 F388L5-L364 HydrophobicContact CD2-CD2 3.67Å; L5-L364 HydrophobicContact CD2-CG 4.23Å; L359-L364 HydrophobicContact CD1-CB 3.54Å; L359-L364 HydrophobicContact CD1-CD1 4.26Å; L359-L364 HydrophobicContact CD1-CG 4.33Å; T360-L364 PolarHBondContact O-N 2.86Å; D361-L364 WeakPolarHBondContact O-CB 3.36Å; D361-L364 PolarHBondContact O-N 3.31Å; A362-L364 VanDerWaalsContact C-N 3.27Å; A362-L364 PolarHBondContact O-N 2.8Å; L364-H366 VanDerWaalsContact C-N 3.32Å; L364-H366 PolarHBondContact O-N 3.44Å; L364-L367 CarbonylContact O-C 3.25Å; L364-L367 WeakPolarHBondContact O-CA 3.45Å; L364-L367 PolarHBondContact O-N 2.83Å; L364-E368 PolarHBondContact O-N 3.44Å; L364-E368 VanDerWaalsContact O-N 3.14Å; L364-F371 HydrophobicContact CD1-CE2 4.16Å; L364-V386 HydrophobicContact CD1-CG2 3.77Å; L364-V386 HydrophobicContact CD2-CG1 4.26Å; L364-V386 HydrophobicContact CD2-CG2 4.37Å; L364-F388 HydrophobicContact CD2-CE1 3.76Å; L364-F388 HydrophobicContact CD2-CZ 3.74Å
365H91Very high84.3Confident35 Ų3541.1 Ų41.116%0.16220%0.201CC..Hα-helixtrans-55.5-48.7177.9-175.854.3000110.8D259 S262 E263 D361 A362 L367 E368D259-H365 IonicContact OD1-CD2 2.94Å; D259-H365 IonicContact OD1-CE1 2.94Å; D259-H365 PolarHBondContact OD1-CE1 3.13Å; D259-H365 IonicContact OD1-NE2 2.94Å; D259-H365 PolarHBondContact OD1-NE2 2.84Å; S262-H365 WeakPolarHBondContact CB-ND1 3.17Å; E263-H365 HydrophobicContact CG-CB 4.3Å; E263-H365 IonicContact OE1-CD2 3.95Å; D361-H365 PolarHBondContact O-N 3.1Å; A362-H365 WeakPolarHBondContact O-CB 3.28Å; A362-H365 PolarHBondContact O-N 3.26Å; H365-L367 PolarHBondContact O-N 2.88Å; H365-E368 WeakPolarHBondContact O-CB 3.24Å; H365-E368 PolarHBondContact O-N 2.79Å
366H87.6Confident82.4Confident114 Ų11442.5 Ų42.553%0.52821%0.208SC..Hα-helixtrans-63.5-24.5176.4-68.6106.2000114E263 A362 E363 L364E263-H366 IonicContact OE1-CE1 3.57Å; E263-H366 PolarHBondContact OE1-CE1 3.43Å; E263-H366 VanDerWaalsContact OE1-CE1 3.31Å; E263-H366 IonicContact OE1-NE2 3.34Å; A362-H366 PolarHBondContact O-N 3.4Å; A362-H366 VanDerWaalsContact O-N 3.07Å; A362-H366 PolarHBondContact O-ND1 3.43Å; E363-H366 PolarHBondContact O-N 3.43Å; L364-H366 VanDerWaalsContact C-N 3.32Å; L364-H366 PolarHBondContact O-N 3.44Å
367L86.1Confident80.5Confident9 Ų946.2 Ų46.25%0.04725%0.247CC..Hα-helixtrans-86.2-11175.5-68.2174.9000113.8F336 M339 M357 L359 E363 L364 H365 D369 Y370 F371F336-L367 HydrophobicContact CD2-CD1 3.79Å; F336-L367 HydrophobicContact CD2-CD2 4.35Å; F336-L367 HydrophobicContact CD2-CG 4.1Å; F336-L367 HydrophobicContact CE2-CD1 3.9Å; F336-L367 HydrophobicContact CE2-CD2 3.76Å; F336-L367 HydrophobicContact CE2-CG 3.66Å; M339-L367 HydrophobicContact CE-CD1 3.99Å; M339-L367 HydrophobicContact CE-CD2 3.81Å; M339-L367 HydrophobicContact CE-CG 4.48Å; M339-L367 HydrophobicContact CG-CD1 4.31Å; M339-L367 HydrophobicContact CG-CD2 4.13Å; M339-L367 HydrophobicContact SD-CD1 4.33Å; M357-L367 HydrophobicContact CE-CD1 3.6Å; L359-L367 HydrophobicContact CD2-CD1 3.91Å; E363-L367 VanDerWaalsContact O-CG 3.32Å; E363-L367 WeakPolarHBondContact O-CG 3.42Å; E363-L367 PolarHBondContact O-N 3.21Å; E363-L367 VanDerWaalsContact O-N 3.15Å; L364-L367 CarbonylContact O-C 3.25Å; L364-L367 WeakPolarHBondContact O-CA 3.45Å; L364-L367 PolarHBondContact O-N 2.83Å; H365-L367 PolarHBondContact O-N 2.88Å; L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 PolarHBondContact O-N 3Å; L367-Y370 HydrophobicContact CD2-CD1 4.06Å; L367-Y370 HydrophobicContact CD2-CG 4.09Å; L367-Y370 CarbonylContact O-C 3.56Å; L367-Y370 WeakPolarHBondContact O-CA 3.33Å; L367-Y370 WeakPolarHBondContact O-CB 3.4Å; L367-Y370 PolarHBondContact O-N 2.95Å; L367-F371 HydrophobicContact CB-CD2 3.7Å; L367-F371 HydrophobicContact CB-CE2 3.4Å; L367-F371 VanDerWaalsContact CB-CE2 3.4Å; L367-F371 HydrophobicContact CB-CZ 4.15Å; L367-F371 HydrophobicContact CD1-CE2 4.01Å; L367-F371 HydrophobicContact CD1-CZ 4.04Å; L367-F371 HydrophobicContact CG-CE2 4.32Å; L367-F371 WeakPolarHBondContact O-CD2 3.37Å; L367-F371 WeakPolarHBondContact O-CG 3.37Å; L367-F371 PolarHBondContact O-N 3.32Å
368E78.9Confident79.3Confident22 Ų2249.1 Ų49.110%0.10328%0.276CS..Hα-helixtrans-55.4-48.4-178.9-175.9173.7-178.700110.6N2 L5 L364 H365 Y370 F371 N372N2-E368 VanDerWaalsContact CG-OE1 3.23Å; N2-E368 PolarHBondContact ND2-OE1 3.22Å; N2-E368 PolarHBondContact OD1-OE1 3.33Å; L5-E368 HydrophobicContact CD1-CG 4.31Å; L364-E368 PolarHBondContact O-N 3.44Å; L364-E368 VanDerWaalsContact O-N 3.14Å; H365-E368 WeakPolarHBondContact O-CB 3.24Å; H365-E368 PolarHBondContact O-N 2.79Å; E368-Y370 VanDerWaalsContact C-N 3.35Å; E368-Y370 PolarHBondContact O-N 3.23Å; E368-F371 PolarHBondContact O-N 3.16Å; E368-N372 WeakPolarHBondContact O-CB 3.46Å; E368-N372 PolarHBondContact O-N 3.43Å; E368-N372 PolarHBondContact O-ND2 2.97Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å
369D73.9Confident78.8Confident76 Ų7651.2 Ų51.241%0.40628%0.284SS..Hα-helixtrans-60.9-42.7173.8-116.535.1000112.4L367 F371 N372 K373L367-D369 VanDerWaalsContact C-N 3.26Å; L367-D369 PolarHBondContact O-N 3Å; D369-F371 PolarHBondContact O-N 3.38Å; D369-N372 PolarHBondContact O-N 3.49Å; D369-K373 VanDerWaalsContact O-CB 3.25Å; D369-K373 WeakPolarHBondContact O-CB 3.42Å; D369-K373 WeakPolarHBondContact O-CD 3.35Å; D369-K373 WeakPolarHBondContact O-CG 3.47Å; D369-K373 PolarHBondContact O-N 2.8Å; D369-K373 IonicContact OD2-NZ 3.42Å; D369-K373 PolarHBondContact OD2-NZ 2.64Å
370Y76.5Confident78.5Confident55 Ų5555.4 Ų55.422%0.21630%0.302CS..Hα-helixtrans-62.6-42.4177.8-176.9-97.8000111.4M339 R343 L367 E368 K373 L374M339-Y370 HydrophobicContact CE-CD1 3.46Å; M339-Y370 VanDerWaalsContact CE-CD1 3.46Å; M339-Y370 HydrophobicContact CE-CE1 3.22Å; M339-Y370 PolarHBondContact O-OH 2.98Å; M339-Y370 VanDerWaalsContact O-OH 3.06Å; R343-Y370 WeakPolarHBondContact CB-OH 3.27Å; L367-Y370 HydrophobicContact CD2-CD1 4.06Å; L367-Y370 HydrophobicContact CD2-CG 4.09Å; L367-Y370 CarbonylContact O-C 3.56Å; L367-Y370 WeakPolarHBondContact O-CA 3.33Å; L367-Y370 WeakPolarHBondContact O-CB 3.4Å; L367-Y370 PolarHBondContact O-N 2.95Å; E368-Y370 VanDerWaalsContact C-N 3.35Å; E368-Y370 PolarHBondContact O-N 3.23Å; Y370-K373 PolarHBondContact O-N 3.07Å; Y370-L374 HydrophobicContact CD1-CD1 3.72Å; Y370-L374 HydrophobicContact CD1-CD2 4.31Å; Y370-L374 HydrophobicContact CD1-CG 4.45Å; Y370-L374 HydrophobicContact CD2-CD1 3.95Å; Y370-L374 HydrophobicContact CE1-CD1 3.22Å; Y370-L374 HydrophobicContact CE1-CD2 3.6Å; Y370-L374 HydrophobicContact CE1-CG 3.96Å; Y370-L374 HydrophobicContact CE2-CD1 3.48Å; Y370-L374 VanDerWaalsContact CE2-CD1 3.48Å; Y370-L374 HydrophobicContact CG-CD1 4.07Å; Y370-L374 WeakPolarHBondContact O-CA 3.36Å; Y370-L374 WeakPolarHBondContact O-CB 3.3Å; Y370-L374 PolarHBondContact O-N 2.97Å
371F74.2Confident78.5Confident17 Ų1754 Ų548%0.07529%0.293CS..Hα-helixtrans-73.2-37.8178.6-68.1-60000112.4M1 M339 M357 L364 L367 E368 D369 K373 L374 Q375 V384M1-F371 HydrophobicContact CE-CB 3.9Å; M1-F371 HydrophobicContact CE-CD1 3.94Å; M1-F371 HydrophobicContact CE-CD2 3.17Å; M1-F371 HydrophobicContact CE-CE1 4.19Å; M1-F371 HydrophobicContact CE-CE2 3.46Å; M1-F371 VanDerWaalsContact CE-CE2 3.46Å; M1-F371 HydrophobicContact CE-CG 3.42Å; M1-F371 VanDerWaalsContact CE-CG 3.42Å; M1-F371 HydrophobicContact CE-CZ 3.96Å; M1-F371 HydrophobicContact SD-CB 3.17Å; M1-F371 WeakPolarHBondContact SD-CB 3.49Å; M1-F371 HydrophobicContact SD-CD1 4.37Å; M1-F371 HydrophobicContact SD-CD2 3.3Å; M1-F371 WeakPolarHBondContact SD-CD2 2.98Å; M1-F371 HydrophobicContact SD-CE2 4.19Å; M1-F371 HydrophobicContact SD-CG 3.4Å; M1-F371 WeakPolarHBondContact SD-CG 3.41Å; M339-F371 HydrophobicContact CE-CE1 3.9Å; M339-F371 HydrophobicContact CE-CZ 4.14Å; M357-F371 HydrophobicContact CE-CE1 4.24Å; M357-F371 HydrophobicContact CE-CZ 3.58Å; M357-F371 HydrophobicContact SD-CE1 3.98Å; M357-F371 HydrophobicContact SD-CZ 3.62Å; L364-F371 HydrophobicContact CD1-CE2 4.16Å; L367-F371 HydrophobicContact CB-CD2 3.7Å; L367-F371 HydrophobicContact CB-CE2 3.4Å; L367-F371 VanDerWaalsContact CB-CE2 3.4Å; L367-F371 HydrophobicContact CB-CZ 4.15Å; L367-F371 HydrophobicContact CD1-CE2 4.01Å; L367-F371 HydrophobicContact CD1-CZ 4.04Å; L367-F371 HydrophobicContact CG-CE2 4.32Å; L367-F371 WeakPolarHBondContact O-CD2 3.37Å; L367-F371 WeakPolarHBondContact O-CG 3.37Å; L367-F371 PolarHBondContact O-N 3.32Å; E368-F371 PolarHBondContact O-N 3.16Å; D369-F371 PolarHBondContact O-N 3.38Å; F371-K373 VanDerWaalsContact C-N 3.3Å; F371-L374 PolarHBondContact O-N 3.26Å; F371-Q375 WeakPolarHBondContact O-CA 3.34Å; F371-Q375 PolarHBondContact O-N 3.44Å; F371-V384 HydrophobicContact CE1-CG1 4.35Å; F371-V384 HydrophobicContact CZ-CG1 4.31Å
372N67.8Low78.5Confident58 Ų5853.8 Ų53.831%0.3129%0.292SS..Hα-helixtrans-61.6-40.8172.5-70.3-27.2000110.7E368 D369 Q375E368-N372 WeakPolarHBondContact O-CB 3.46Å; E368-N372 PolarHBondContact O-N 3.43Å; E368-N372 PolarHBondContact O-ND2 2.97Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å; D369-N372 PolarHBondContact O-N 3.49Å; N372-Q375 WeakPolarHBondContact O-CB 3.42Å
373K66.4Low78.5Confident158 Ų15852.7 Ų52.769%0.68728%0.282SS*.Hα-helixtrans-77.5-36.1176.6-72.3166.9-178.8154.50113.5D369 Y370 F371 Q375D369-K373 VanDerWaalsContact O-CB 3.25Å; D369-K373 WeakPolarHBondContact O-CB 3.42Å; D369-K373 WeakPolarHBondContact O-CD 3.35Å; D369-K373 WeakPolarHBondContact O-CG 3.47Å; D369-K373 PolarHBondContact O-N 2.8Å; D369-K373 IonicContact OD2-NZ 3.42Å; D369-K373 PolarHBondContact OD2-NZ 2.64Å; Y370-K373 PolarHBondContact O-N 3.07Å; F371-K373 VanDerWaalsContact C-N 3.3Å; K373-Q375 PolarHBondContact O-N 3.08Å
374L61.1Low78.4Confident33 Ų3351 Ų5117%0.17328%0.275CS..Hα-helixtrans-61.8-38.2173.9-12172.4000109L346 Y370 F371 L376 G377L346-L374 HydrophobicContact CD1-CD2 3.67Å; Y370-L374 HydrophobicContact CD1-CD1 3.72Å; Y370-L374 HydrophobicContact CD1-CD2 4.31Å; Y370-L374 HydrophobicContact CD1-CG 4.45Å; Y370-L374 HydrophobicContact CD2-CD1 3.95Å; Y370-L374 HydrophobicContact CE1-CD1 3.22Å; Y370-L374 HydrophobicContact CE1-CD2 3.6Å; Y370-L374 HydrophobicContact CE1-CG 3.96Å; Y370-L374 HydrophobicContact CE2-CD1 3.48Å; Y370-L374 VanDerWaalsContact CE2-CD1 3.48Å; Y370-L374 HydrophobicContact CG-CD1 4.07Å; Y370-L374 WeakPolarHBondContact O-CA 3.36Å; Y370-L374 WeakPolarHBondContact O-CB 3.3Å; Y370-L374 PolarHBondContact O-N 2.97Å; F371-L374 PolarHBondContact O-N 3.26Å; L374-L376 WeakPolarHBondContact O-CA 3.35Å; L374-L376 PolarHBondContact O-N 3.44Å; L374-G377 PolarHBondContact O-N 3.3Å
375Q53.6Low78.6Confident146 Ų14650.5 Ų50.568%0.68227%0.272SS*.G310 helixtrans33.426.1-175.9-135.3174.516.300113.8F371 N372 K373 G377 G378F371-Q375 WeakPolarHBondContact O-CA 3.34Å; F371-Q375 PolarHBondContact O-N 3.44Å; N372-Q375 WeakPolarHBondContact O-CB 3.42Å; K373-Q375 PolarHBondContact O-N 3.08Å; Q375-G377 CarbonylContact O-C 3.44Å; Q375-G377 PolarHBondContact O-N 2.79Å; Q375-G378 PolarHBondContact O-N 2.91Å
376L57.9Low78.8Confident28 Ų2848.9 Ų48.915%0.14727%0.265CS..G310 helixtrans31.428.1-169.1-58.9156000115.7L346 L374 G378 R379 V382L346-L376 HydrophobicContact CD1-CD2 3.59Å; L346-L376 HydrophobicContact CD2-CD2 3.6Å; L346-L376 HydrophobicContact CG-CD2 4.25Å; L374-L376 WeakPolarHBondContact O-CA 3.35Å; L374-L376 PolarHBondContact O-N 3.44Å; L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 3.45Å; L376-R379 HydrophobicContact CB-CB 3.91Å; L376-R379 WeakPolarHBondContact O-CB 3.4Å; L376-R379 VanDerWaalsContact O-CD 3.28Å; L376-R379 WeakPolarHBondContact O-CD 3.34Å; L376-R379 WeakPolarHBondContact O-CG 3.42Å; L376-R379 PolarHBondContact O-N 3.14Å; L376-V382 HydrophobicContact CD1-CB 3.74Å; L376-V382 HydrophobicContact CD1-CG1 4.21Å; L376-V382 HydrophobicContact CD1-CG2 4.33Å; L376-V382 HydrophobicContact CD2-CB 3.93Å; L376-V382 HydrophobicContact CD2-CG1 3.86Å; L376-V382 HydrophobicContact CD2-CG2 3.97Å; L376-V382 HydrophobicContact CG-CB 4.41Å
377G58.9Low79.2Confident79 Ų7943.4 Ų43.481%0.81424%0.239SC*.G310 helixtrans55.631.5-16700000115.8L374 Q375 R379L374-G377 PolarHBondContact O-N 3.3Å; Q375-G377 CarbonylContact O-C 3.44Å; Q375-G377 PolarHBondContact O-N 2.79Å; G377-R379 VanDerWaalsContact C-N 3.29Å; G377-R379 PolarHBondContact O-N 3.07Å
378G72.1Confident79.7Confident60 Ų6043.1 Ų43.162%0.61924%0.238SC*.G310 helixtrans78.45.5-17200000114.5Q375 L376 K380Q375-G378 PolarHBondContact O-N 2.91Å; L376-G378 VanDerWaalsContact C-N 3.27Å; L376-G378 PolarHBondContact O-N 3.45Å; G378-K380 PolarHBondContact O-N 2.85Å
379R86.2Confident80.3Confident55 Ų5545 Ų4521%0.20825%0.246CC..  trans-71.8122.4-178.1-66.9171.259.3170.72.9111.6L346 W349 S350 G351 L376 G377 N381L346-R379 PolarHBondContact O-NH1 2.83Å; W349-R379 PolarHBondContact O-NH1 3.09Å; S350-R379 PolarHBondContact O-NH2 2.97Å; G351-R379 PolarHBondContact O-NH2 3.08Å; L376-R379 HydrophobicContact CB-CB 3.91Å; L376-R379 WeakPolarHBondContact O-CB 3.4Å; L376-R379 VanDerWaalsContact O-CD 3.28Å; L376-R379 WeakPolarHBondContact O-CD 3.34Å; L376-R379 WeakPolarHBondContact O-CG 3.42Å; L376-R379 PolarHBondContact O-N 3.14Å; G377-R379 VanDerWaalsContact C-N 3.29Å; G377-R379 PolarHBondContact O-N 3.07Å; R379-N381 PolarHBondContact NE-OD1 2.95Å; R379-N381 PolarHBondContact NH2-ND2 2.87Å; R379-N381 PolarHBondContact NH2-OD1 2.64Å
380K88.6Confident80.6Confident87 Ų8741.6 Ų41.638%0.37823%0.227SC..  trans-95.43.7173-54.6-164.3-174.7-163.90113.9E318 F319 D320 G378E318-K380 VanDerWaalsContact OE1-CE 3.26Å; E318-K380 WeakPolarHBondContact OE1-CE 3.15Å; E318-K380 IonicContact OE1-NZ 2.95Å; E318-K380 PolarHBondContact OE1-NZ 2.83Å; F319-K380 WeakPolarHBondContact CA-O 3.42Å; F319-K380 VanDerWaalsContact CD2-O 3.28Å; F319-K380 WeakPolarHBondContact CD2-O 3.32Å; D320-K380 HydrophobicContact CB-CB 4.1Å; D320-K380 HydrophobicContact CB-CD 3.82Å; D320-K380 PolarHBondContact N-O 3.05Å; D320-K380 WeakPolarHBondContact O-CB 3.36Å; G378-K380 PolarHBondContact O-N 2.85Å
381N93.7Very high80Confident22 Ų2240.4 Ų40.412%0.11823%0.232CC..  trans-95.618.6-179.775.4-19.7000114.3Y321 S350 P352 L353 R379Y321-N381 HydrophobicContact CD1-CB 4.4Å; Y321-N381 HydrophobicContact CD2-CB 3.34Å; Y321-N381 HydrophobicContact CE2-CB 3.76Å; Y321-N381 HydrophobicContact CG-CB 3.69Å; S350-N381 PolarHBondContact O-ND2 2.99Å; P352-N381 VanDerWaalsContact CA-O 3.27Å; P352-N381 WeakPolarHBondContact CA-O 3.32Å; P352-N381 HydrophobicContact CB-CB 4.34Å; L353-N381 PolarHBondContact N-O 2.77Å; R379-N381 PolarHBondContact NE-OD1 2.95Å; R379-N381 PolarHBondContact NH2-ND2 2.87Å; R379-N381 PolarHBondContact NH2-OD1 2.64Å
382V93.5Very high79.2Confident1 Ų144.5 Ų44.51%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-118.2108.3178.3-1780000110.1T317 L346 L353 L376 V384T317-V382 PolarHBondContact OG1-O 3.3Å; L346-V382 HydrophobicContact CD2-CG1 4.31Å; L346-V382 HydrophobicContact CD2-CG2 3.94Å; L353-V382 HydrophobicContact CB-CB 4.45Å; L353-V382 HydrophobicContact CB-CG1 4.07Å; L353-V382 HydrophobicContact CB-CG2 4.12Å; L353-V382 HydrophobicContact CD2-CG1 3.85Å; L353-V382 HydrophobicContact CG-CG1 4.08Å; L353-V382 CarbonylContact O-C 3.52Å; L353-V382 WeakPolarHBondContact O-CA 3.44Å; L376-V382 HydrophobicContact CD1-CB 3.74Å; L376-V382 HydrophobicContact CD1-CG1 4.21Å; L376-V382 HydrophobicContact CD1-CG2 4.33Å; L376-V382 HydrophobicContact CD2-CB 3.93Å; L376-V382 HydrophobicContact CD2-CG1 3.86Å; L376-V382 HydrophobicContact CD2-CG2 3.97Å; L376-V382 HydrophobicContact CG-CB 4.41Å; V382-V384 HydrophobicContact CG1-CG2 4.11Å
383A93.9Very high78.4Confident2 Ų242.1 Ų42.12%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-86.8110176.600000109.7F315 F319 L353 V355F315-A383 HydrophobicContact CD1-CB 3.91Å; F315-A383 HydrophobicContact CE1-CB 3.64Å; F319-A383 HydrophobicContact CD2-CB 3.76Å; F319-A383 HydrophobicContact CE2-CB 3.76Å; F319-A383 HydrophobicContact CG-CB 4.24Å; F319-A383 HydrophobicContact CZ-CB 4.26Å; L353-A383 PolarHBondContact O-N 3.28Å; V355-A383 WeakPolarHBondContact CG1-O 3.45Å; V355-A383 PolarHBondContact N-O 3.09Å
384V93.1Very high77.7Confident4 Ų438.1 Ų38.12%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-100.7122.2175.7-177.90000109.7F315 C316 T317 V355 M357 F371 V382F315-V384 CarbonylContact C-O 3.54Å; F315-V384 VanDerWaalsContact CA-O 3.25Å; F315-V384 WeakPolarHBondContact CA-O 3.24Å; F315-V384 PolarHBondContact N-O 3.16Å; F315-V384 VanDerWaalsContact N-O 3.14Å; C316-V384 PolarHBondContact N-O 2.71Å; T317-V384 HydrophobicContact CG2-CB 3.94Å; T317-V384 HydrophobicContact CG2-CG2 3.72Å; T317-V384 WeakPolarHBondContact OG1-CG2 3.49Å; V355-V384 HydrophobicContact CG1-CB 4.26Å; V355-V384 HydrophobicContact CG1-CG1 4.41Å; V355-V384 HydrophobicContact CG1-CG2 3.84Å; M357-V384 HydrophobicContact CG-CG1 4.42Å; M357-V384 HydrophobicContact SD-CG1 3.59Å; M357-V384 VanDerWaalsContact SD-CG1 3.59Å; F371-V384 HydrophobicContact CE1-CG1 4.35Å; F371-V384 HydrophobicContact CZ-CG1 4.31Å; V382-V384 HydrophobicContact CG1-CG2 4.11Å
385H95.7Very high77.4Confident0 Ų040.6 Ų40.60%024%0.242CC..EExtended strand (participates in β ladder)trans-114.2135.7174.4-47.8-78.9000109.3H313 M314 F315 V355 S356 M357 I421 S425H313-H385 WeakPolarHBondContact O-CA 3.4Å; M314-H385 WeakPolarHBondContact CA-ND1 3.45Å; F315-H385 AromaticContact CD1-CE1 3.98Å; F315-H385 AromaticContact CD2-CE1 3.89Å; F315-H385 AromaticContact CE1-CE1 3.86Å; F315-H385 AromaticContact CE2-CE1 3.75Å; F315-H385 AromaticContact CZ-CE1 3.75Å; F315-H385 PolarHBondContact N-ND1 3.05Å; V355-H385 PolarHBondContact O-CD2 3.36Å; V355-H385 PolarHBondContact O-N 3.34Å; S356-H385 CarbonylContact C-O 3.41Å; S356-H385 WeakPolarHBondContact CA-O 3Å; M357-H385 PolarHBondContact N-O 3.45Å; H385-I421 HydrophobicContact CB-CG2 4.06Å; H385-S425 WeakPolarHBondContact CE1-CB 3.38Å; H385-S425 WeakPolarHBondContact NE2-CB 3.46Å; H385-S425 PolarHBondContact NE2-OG 3.19Å
386V95.5Very high77.5Confident0 Ų034.4 Ų34.40%021%0.214CC..EExtended strand (participates in β ladder)trans-104.3126.6173.9173.50000108.7V312 H313 C316 L359 L364 F388V312-V386 CarbonylContact C-O 3.52Å; V312-V386 VanDerWaalsContact CA-O 3.31Å; V312-V386 WeakPolarHBondContact CA-O 3.4Å; H313-V386 HydrophobicContact CB-CB 4.28Å; H313-V386 PolarHBondContact N-O 2.79Å; H313-V386 PolarHBondContact O-N 3.03Å; C316-V386 HydrophobicContact CB-CG2 4.15Å; L359-V386 HydrophobicContact CD1-CG1 3.4Å; L359-V386 HydrophobicContact CD2-CG1 4.42Å; L359-V386 HydrophobicContact CD2-CG2 4.47Å; L359-V386 HydrophobicContact CG-CG1 3.88Å; L364-V386 HydrophobicContact CD1-CG2 3.77Å; L364-V386 HydrophobicContact CD2-CG1 4.26Å; L364-V386 HydrophobicContact CD2-CG2 4.37Å; V386-F388 HydrophobicContact CG1-CD1 4.18Å; V386-F388 HydrophobicContact CG1-CD2 4.1Å; V386-F388 HydrophobicContact CG1-CE1 3.96Å; V386-F388 HydrophobicContact CG1-CE2 3.9Å; V386-F388 HydrophobicContact CG1-CG 4.26Å; V386-F388 HydrophobicContact CG1-CZ 3.82Å
387V96.6Very high77.4Confident0 Ų038.4 Ų38.40%025%0.251CS..EExtended strand (participates in β ladder)trans-110.9111.7170.6-175.90000106.3H310 V312 M357 Y358 L359 L418 I421H310-V387 HydrophobicContact CB-CG1 3.62Å; V312-V387 HydrophobicContact CG1-CG2 4.35Å; V312-V387 HydrophobicContact CG2-CG1 4.47Å; V312-V387 HydrophobicContact CG2-CG2 4.34Å; M357-V387 PolarHBondContact O-N 3.35Å; Y358-V387 WeakPolarHBondContact CA-O 3.5Å; Y358-V387 HydrophobicContact CD2-CB 4.31Å; Y358-V387 HydrophobicContact CD2-CG1 4.16Å; Y358-V387 WeakPolarHBondContact CD2-O 3.43Å; L359-V387 PolarHBondContact N-O 3.09Å; V387-L418 HydrophobicContact CB-CD2 3.53Å; V387-L418 HydrophobicContact CG1-CD2 3.8Å; V387-L418 HydrophobicContact CG2-CD2 3.57Å; V387-I421 HydrophobicContact CG1-CD1 4.43Å; V387-I421 HydrophobicContact CG2-CD1 3.55Å; V387-I421 HydrophobicContact CG2-CG2 4.38Å
388F95Very high77.1Confident3 Ų340.4 Ų40.41%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-72.7147-173.9-65-91.8000110.6H310 R311 H313 L359 D361 L364 V386 D390H310-F388 PolarHBondContact CD2-O 2.78Å; H310-F388 VanDerWaalsContact CD2-O 3.31Å; R311-F388 HydrophobicContact CB-CB 4.08Å; R311-F388 HydrophobicContact CB-CD2 3.48Å; R311-F388 VanDerWaalsContact CB-CD2 3.48Å; R311-F388 HydrophobicContact CB-CE2 4.3Å; R311-F388 HydrophobicContact CB-CG 4.12Å; R311-F388 PolarHBondContact O-N 3.34Å; H313-F388 HydrophobicContact CB-CE2 3.95Å; H313-F388 HydrophobicContact CB-CZ 4.41Å; L359-F388 CarbonylContact O-C 3.58Å; L359-F388 WeakPolarHBondContact O-CA 3.35Å; D361-F388 HydrophobicContact CB-CE1 4.44Å; D361-F388 WeakPolarHBondContact OD1-CE1 3.41Å; D361-F388 WeakPolarHBondContact OD2-CD1 3.45Å; L364-F388 HydrophobicContact CD2-CE1 3.76Å; L364-F388 HydrophobicContact CD2-CZ 3.74Å; V386-F388 HydrophobicContact CG1-CD1 4.18Å; V386-F388 HydrophobicContact CG1-CD2 4.1Å; V386-F388 HydrophobicContact CG1-CE1 3.96Å; V386-F388 HydrophobicContact CG1-CE2 3.9Å; V386-F388 HydrophobicContact CG1-CG 4.26Å; V386-F388 HydrophobicContact CG1-CZ 3.82Å; F388-D390 PolarHBondContact O-N 2.94Å
389K92.1Very high76.2Confident62 Ų6238.7 Ų38.727%0.2721%0.212SC..  trans-69.361.1170.3-66.6179.7-176.7155.50111.2Y358 L359 T360 E363 G391Y358-K389 HydrophobicContact CD1-CG 3.94Å; Y358-K389 HydrophobicContact CD2-CG 4.24Å; Y358-K389 HydrophobicContact CE1-CD 4.29Å; Y358-K389 HydrophobicContact CE1-CG 3.62Å; Y358-K389 HydrophobicContact CE2-CB 4.38Å; Y358-K389 HydrophobicContact CE2-CG 3.91Å; Y358-K389 HydrophobicContact CG-CG 4.26Å; L359-K389 PolarHBondContact O-N 3.22Å; T360-K389 HydrophobicContact CG2-CB 4.23Å; T360-K389 HydrophobicContact CG2-CD 3.74Å; T360-K389 HydrophobicContact CG2-CG 4.43Å; E363-K389 VanDerWaalsContact CD-NZ 3.26Å; E363-K389 IonicContact OE1-NZ 3.54Å; E363-K389 PolarHBondContact OE1-NZ 2.98Å; E363-K389 IonicContact OE2-NZ 2.69Å; E363-K389 PolarHBondContact OE2-NZ 2.85Å; K389-G391 PolarHBondContact O-N 3.27Å
390D80.6Confident74.8Confident3 Ų343.7 Ų43.72%0.01624%0.235CC..  trans-81.1100.3172-72.5-15.5000108.3R270 V308 R311 F388R270-D390 IonicContact CZ-OD2 3.07Å; R270-D390 IonicContact NH2-OD2 3.44Å; R270-D390 PolarHBondContact NH2-OD2 3.27Å; V308-D390 WeakPolarHBondContact CG1-O 3.41Å; R311-D390 WeakPolarHBondContact CB-OD2 3.22Å; R311-D390 WeakPolarHBondContact CD-OD2 3.38Å; R311-D390 WeakPolarHBondContact CG-OD2 3.16Å; R311-D390 IonicContact CZ-OD1 3.31Å; R311-D390 VanDerWaalsContact CZ-OD1 3.23Å; R311-D390 IonicContact CZ-OD2 3.65Å; R311-D390 PolarHBondContact N-OD2 3.2Å; R311-D390 VanDerWaalsContact NE-CG 3.33Å; R311-D390 IonicContact NE-OD1 2.73Å; R311-D390 PolarHBondContact NE-OD1 3.45Å; R311-D390 IonicContact NE-OD2 2.78Å; R311-D390 PolarHBondContact NE-OD2 3.1Å; R311-D390 IonicContact NH2-OD1 2.87Å; R311-D390 PolarHBondContact NH2-OD1 3.22Å; F388-D390 PolarHBondContact O-N 2.94Å
391G63.4Low73.4Confident31 Ų3145 Ų4532%0.3226%0.255SS..  trans171.3116176.400000111.7K389K389-G391 PolarHBondContact O-N 3.27Å
392V57.1Low71.8Confident102 Ų10248.5 Ų48.562%0.61828%0.282SS*.  trans-70.8139.2153.5-173.50000105.5L394V392-L394 HydrophobicContact CB-CD2 4.06Å; V392-L394 HydrophobicContact CG1-CD2 4.29Å; V392-L394 PolarHBondContact O-N 2.85Å
393A52.3Low70.3Confident9 Ų953.6 Ų53.67%0.07431%0.309CS..  trans-60.189161.600000107.7K395 L406 D409A393-K395 VanDerWaalsContact C-N 3.28Å; A393-K395 PolarHBondContact O-N 3Å; A393-L406 HydrophobicContact CB-CD1 4.29Å; A393-D409 HydrophobicContact CB-CB 4.33Å; A393-D409 WeakPolarHBondContact CB-O 3.46Å
394L51.4Low69.1Low74 Ų7454.1 Ų54.139%0.38731%0.312SS..  trans-70.396.8175.3-73-162.6000106.8F285 T304 V392 P396F285-L394 HydrophobicContact CD2-CD1 4.39Å; F285-L394 HydrophobicContact CE1-CD1 4.05Å; F285-L394 HydrophobicContact CE2-CD1 3.26Å; F285-L394 HydrophobicContact CE2-CG 4.46Å; F285-L394 HydrophobicContact CZ-CD1 3.05Å; F285-L394 HydrophobicContact CZ-CG 3.89Å; T304-L394 HydrophobicContact CG2-CB 4.12Å; V392-L394 HydrophobicContact CB-CD2 4.06Å; V392-L394 HydrophobicContact CG1-CD2 4.29Å; V392-L394 PolarHBondContact O-N 2.85Å; L394-P396 VanDerWaalsContact O-CD 3.24Å; L394-P396 WeakPolarHBondContact O-CD 3.47Å
395K54.2Low67.8Low85 Ų8554 Ų5437%0.3731%0.312SS..  trans-68.1113.3153.6-72.4171.1-179.9151.60105.3A393 A397 L406 D409A393-K395 VanDerWaalsContact C-N 3.28Å; A393-K395 PolarHBondContact O-N 3Å; K395-A397 PolarHBondContact O-N 3.45Å; K395-L406 WeakPolarHBondContact CE-O 3.34Å; K395-D409 IonicContact NZ-OD1 2.75Å; K395-D409 PolarHBondContact NZ-OD1 3.42Å
396P55.7Low66.3Low15 Ų1554.4 Ų54.410%0.09731%0.313CS..  trans-54.8138.1171.2-14.123.9000109.2L394 W398 T399L394-P396 VanDerWaalsContact O-CD 3.24Å; L394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-W398 HydrophobicContact CB-CD2 3.74Å; P396-W398 HydrophobicContact CB-CE3 3.51Å; P396-W398 HydrophobicContact CB-CH2 3.14Å; P396-W398 HydrophobicContact CB-CZ2 3.4Å; P396-W398 VanDerWaalsContact CB-CZ2 3.4Å; P396-W398 HydrophobicContact CB-CZ3 3.24Å; P396-W398 HydrophobicContact CG-CH2 3.6Å; P396-W398 HydrophobicContact CG-CZ2 3.62Å; P396-W398 HydrophobicContact CG-CZ3 4.21Å; P396-W398 PolarHBondContact O-N 3.02Å; P396-T399 WeakPolarHBondContact CD-OG1 3.35Å; P396-T399 WeakPolarHBondContact O-CB 3.42Å; P396-T399 PolarHBondContact O-N 3.18Å; P396-T399 PolarHBondContact O-OG1 2.84Å
397A56.5Low64.8Low112 Ų11259.8 Ų59.893%0.92634%0.342SS*.THydrogen-bonded Turntrans-56.6-20.3-173.700000114.1K395K395-A397 PolarHBondContact O-N 3.45Å
398W51.2Low63.2Low121 Ų12162.2 Ų62.246%0.45836%0.357SS..THydrogen-bonded Turntrans-85.3-11.6176.478.479000114.2W296 P396 K400W296-W398 HydrophobicContact CE3-CZ2 4.35Å; W296-W398 AromaticContact CH2-CH2 3.42Å; W296-W398 HydrophobicContact CH2-CH2 3.42Å; W296-W398 VanDerWaalsContact CH2-CH2 3.42Å; W296-W398 AromaticContact CH2-CZ2 3.73Å; W296-W398 HydrophobicContact CH2-CZ2 3.73Å; W296-W398 AromaticContact CZ3-CH2 3.43Å; W296-W398 HydrophobicContact CZ3-CH2 3.43Å; W296-W398 VanDerWaalsContact CZ3-CH2 3.43Å; W296-W398 AromaticContact CZ3-CZ2 3.27Å; W296-W398 HydrophobicContact CZ3-CZ2 3.27Å; P396-W398 HydrophobicContact CB-CD2 3.74Å; P396-W398 HydrophobicContact CB-CE3 3.51Å; P396-W398 HydrophobicContact CB-CH2 3.14Å; P396-W398 HydrophobicContact CB-CZ2 3.4Å; P396-W398 VanDerWaalsContact CB-CZ2 3.4Å; P396-W398 HydrophobicContact CB-CZ3 3.24Å; P396-W398 HydrophobicContact CG-CH2 3.6Å; P396-W398 HydrophobicContact CG-CZ2 3.62Å; P396-W398 HydrophobicContact CG-CZ3 4.21Å; P396-W398 PolarHBondContact O-N 3.02Å; W398-K400 PolarHBondContact O-N 3.23Å; W398-K400 VanDerWaalsContact O-N 3.13Å
399T55Low62Low24 Ų2467.6 Ų67.615%0.14739%0.386CS..  trans-75.9103.2-179.8-52.60000108.7P396P396-T399 WeakPolarHBondContact CD-OG1 3.35Å; P396-T399 WeakPolarHBondContact O-CB 3.42Å; P396-T399 PolarHBondContact O-N 3.18Å; P396-T399 PolarHBondContact O-OG1 2.84Å
400K55.1Low61.3Low161 Ų16167.8 Ų67.870%0.739%0.392SS*.  trans-57.2138.5167.7-67.5-176179-179.60108.5W398 S402 N403W398-K400 PolarHBondContact O-N 3.23Å; W398-K400 VanDerWaalsContact O-N 3.13Å; K400-S402 PolarHBondContact O-N 3.02Å; K400-N403 PolarHBondContact O-N 3.24Å
401S59.3Low61.4Low115 Ų11569.4 Ų69.480%0.80440%0.403SS*.G310 helixtrans-53.1-30.3-177.570.50000113.1N403 S404S401-N403 PolarHBondContact O-N 3.04Å; S401-S404 PolarHBondContact O-N 3.17Å
402S61Low62.7Low95 Ų9568.2 Ų68.266%0.66439%0.389SS*.G310 helixtrans-66.3-15.7177.368.60000115.3K400K400-S402 PolarHBondContact O-N 3.02Å
403N62.8Low64.5Low108 Ų10865.1 Ų65.158%0.57837%0.367SS*.G310 helixtrans-118.520.5-177.7-74.9-1.5000112.4K400 S401 L614K400-N403 PolarHBondContact O-N 3.24Å; S401-N403 PolarHBondContact O-N 3.04Å; N403-L614 VanDerWaalsContact O-CD2 3.23Å; N403-L614 WeakPolarHBondContact O-CD2 3.28Å
404S67.2Low66.5Low13 Ų1364.9 Ų64.99%0.09137%0.365CS..  trans-87.4138.3176.2-169.40000110.3E301 S401 L406E301-S404 VanDerWaalsContact OE1-CA 3.31Å; E301-S404 WeakPolarHBondContact OE1-CA 3.49Å; E301-S404 WeakPolarHBondContact OE1-CB 3.5Å; E301-S404 PolarHBondContact OE1-OG 3.05Å; E301-S404 PolarHBondContact OE2-OG 3.45Å; S401-S404 PolarHBondContact O-N 3.17Å; S404-L406 VanDerWaalsContact C-N 3.32Å; S404-L406 PolarHBondContact OG-N 2.88Å; S404-L406 PolarHBondContact OG-O 3.39Å; S404-L406 VanDerWaalsContact OG-O 3.05Å
405V66.7Low68.6Low2 Ų262.2 Ų62.21%0.01235%0.35CS..SBendtrans-77.1-30.2166.1178.80000109.5E301 F302 D407 F412 L614 Y615E301-V405 VanDerWaalsContact OE2-CA 3.25Å; E301-V405 WeakPolarHBondContact OE2-CA 3.12Å; E301-V405 WeakPolarHBondContact OE2-CB 3.2Å; E301-V405 PolarHBondContact OE2-N 2.99Å; F302-V405 HydrophobicContact CE2-CG1 4.01Å; F302-V405 HydrophobicContact CE2-CG2 4.43Å; V405-D407 PolarHBondContact O-N 2.84Å; V405-F412 HydrophobicContact CB-CZ 4.41Å; V405-F412 HydrophobicContact CG1-CE1 4.48Å; V405-F412 HydrophobicContact CG1-CZ 3.93Å; V405-L614 HydrophobicContact CG2-CB 4.18Å; V405-L614 HydrophobicContact CG2-CD2 3.62Å; V405-L614 HydrophobicContact CG2-CG 3.62Å; V405-Y615 HydrophobicContact CG1-CD2 3.52Å; V405-Y615 HydrophobicContact CG1-CG 3.91Å
406L64.8Low70.7Confident7 Ų758.2 Ų58.24%0.03733%0.333CS..  trans-88.195.5-179-64.4173.1000111.5E301 A393 K395 S404 T408 F412 R608E301-L406 HydrophobicContact CB-CD1 4.13Å; E301-L406 HydrophobicContact CB-CG 4.41Å; E301-L406 HydrophobicContact CG-CD1 4.31Å; E301-L406 VanDerWaalsContact OE2-CG 3.29Å; E301-L406 WeakPolarHBondContact OE2-CG 3.24Å; E301-L406 PolarHBondContact OE2-N 3.34Å; A393-L406 HydrophobicContact CB-CD1 4.29Å; K395-L406 WeakPolarHBondContact CE-O 3.34Å; S404-L406 VanDerWaalsContact C-N 3.32Å; S404-L406 PolarHBondContact OG-N 2.88Å; S404-L406 PolarHBondContact OG-O 3.39Å; S404-L406 VanDerWaalsContact OG-O 3.05Å; L406-T408 PolarHBondContact O-N 3.13Å; L406-T408 VanDerWaalsContact O-N 3.14Å; L406-F412 HydrophobicContact CD1-CD2 4.38Å; L406-F412 HydrophobicContact CD1-CE2 4.07Å; L406-F412 HydrophobicContact CD2-CD2 3.99Å; L406-F412 HydrophobicContact CD2-CE1 4.24Å; L406-F412 HydrophobicContact CD2-CE2 3.67Å; L406-F412 HydrophobicContact CD2-CG 4.41Å; L406-F412 HydrophobicContact CD2-CZ 3.81Å; L406-F412 HydrophobicContact CG-CE2 3.9Å; L406-F412 HydrophobicContact CG-CZ 4.22Å; L406-R608 VanDerWaalsContact CD2-NH1 3.3Å
407D63.1Low72.7Confident114 Ų11459.3 Ų59.361%0.6134%0.336SS*.SBendtrans-64.6-15.2173.7-63.7-21.4000113.4V405V405-D407 PolarHBondContact O-N 2.84Å
408T62.9Low74.7Confident50 Ų5054 Ų5431%0.30729%0.292SS..SBendtrans-135.8161.5-173.462.80000110.6L406 T410 F604 R608L406-T408 PolarHBondContact O-N 3.13Å; L406-T408 VanDerWaalsContact O-N 3.14Å; T408-T410 PolarHBondContact O-N 2.81Å; T408-T410 PolarHBondContact OG1-N 3.33Å; T408-F604 HydrophobicContact CG2-CZ 4.17Å; T408-F604 WeakPolarHBondContact OG1-CZ 2.71Å; T408-R608 PolarHBondContact OG1-NH2 2.81Å
409D69.5Low76.9Confident116 Ų11648.6 Ų48.662%0.6227%0.272SS*.SBendtrans-77.916.5175.7-57.3-30.7000114.4A393 K395A393-D409 HydrophobicContact CB-CB 4.33Å; A393-D409 WeakPolarHBondContact CB-O 3.46Å; K395-D409 IonicContact NZ-OD1 2.75Å; K395-D409 PolarHBondContact NZ-OD1 3.42Å
410T77.8Confident79Confident66 Ų6647.6 Ų47.641%0.40527%0.266SS..PPolyproline II helixtrans-82.8124.9173.7-49.50000110.9T408 F604 R608T408-T410 PolarHBondContact O-N 2.81Å; T408-T410 PolarHBondContact OG1-N 3.33Å; T410-F604 HydrophobicContact CG2-CD1 4.26Å; T410-F604 HydrophobicContact CG2-CE1 3.66Å; T410-F604 HydrophobicContact CG2-CZ 4.44Å; T410-R608 PolarHBondContact O-NH1 3.08Å; T410-R608 PolarHBondContact O-NH2 3.08Å
411P83.6Confident81Confident37 Ų3740.7 Ų40.724%0.2424%0.236CC..PPolyproline II helixtrans-65.8164.8178.328.6-35.5000112.2
412F89.7Confident82.9Confident7 Ų735.2 Ų35.23%0.03120%0.198CC..PPolyproline II helixtrans-68.3141.4172.3-76.6-78.9000111.6E301 F302 A305 V405 L406 P414 V559 E605 Y615E301-F412 HydrophobicContact CB-CE2 3.9Å; F302-F412 HydrophobicContact CD1-CE1 4.48Å; F302-F412 HydrophobicContact CD1-CZ 4.46Å; F302-F412 HydrophobicContact CD2-CE1 4.48Å; F302-F412 HydrophobicContact CD2-CE2 4.39Å; F302-F412 AromaticContact CD2-CZ 3.87Å; F302-F412 HydrophobicContact CD2-CZ 3.87Å; F302-F412 HydrophobicContact CE1-CE1 4.02Å; F302-F412 HydrophobicContact CE1-CZ 4.33Å; F302-F412 HydrophobicContact CE2-CE1 4.06Å; F302-F412 AromaticContact CE2-CZ 3.75Å; F302-F412 HydrophobicContact CE2-CZ 3.75Å; F302-F412 HydrophobicContact CG-CE2 4.48Å; F302-F412 HydrophobicContact CG-CZ 4.23Å; F302-F412 AromaticContact CZ-CE1 3.79Å; F302-F412 HydrophobicContact CZ-CE1 3.79Å; F302-F412 AromaticContact CZ-CZ 3.97Å; F302-F412 HydrophobicContact CZ-CZ 3.97Å; A305-F412 HydrophobicContact CB-CB 3.96Å; A305-F412 HydrophobicContact CB-CD2 3.78Å; A305-F412 HydrophobicContact CB-CG 4.27Å; V405-F412 HydrophobicContact CB-CZ 4.41Å; V405-F412 HydrophobicContact CG1-CE1 4.48Å; V405-F412 HydrophobicContact CG1-CZ 3.93Å; L406-F412 HydrophobicContact CD1-CD2 4.38Å; L406-F412 HydrophobicContact CD1-CE2 4.07Å; L406-F412 HydrophobicContact CD2-CD2 3.99Å; L406-F412 HydrophobicContact CD2-CE1 4.24Å; L406-F412 HydrophobicContact CD2-CE2 3.67Å; L406-F412 HydrophobicContact CD2-CG 4.41Å; L406-F412 HydrophobicContact CD2-CZ 3.81Å; L406-F412 HydrophobicContact CG-CE2 3.9Å; L406-F412 HydrophobicContact CG-CZ 4.22Å; F412-P414 WeakPolarHBondContact O-CD 3.48Å; F412-V559 HydrophobicContact CB-CB 3.96Å; F412-V559 HydrophobicContact CB-CG2 3.69Å; F412-V559 HydrophobicContact CD1-CG2 4Å; F412-V559 HydrophobicContact CD2-CG2 4.11Å; F412-V559 HydrophobicContact CG-CB 4.46Å; F412-V559 HydrophobicContact CG-CG2 3.69Å; F412-E605 WeakPolarHBondContact CA-OE1 3.14Å; F412-Y615 HydrophobicContact CD1-CE2 4.38Å; F412-Y615 HydrophobicContact CE1-CD2 4.16Å; F412-Y615 AromaticContact CE1-CE2 3.59Å; F412-Y615 HydrophobicContact CE1-CE2 3.59Å
413Y94Very high84.6Confident36 Ų3631.4 Ų31.414%0.14117%0.17CC..PPolyproline II helixtrans-66.4117.6169.8-169.1-109.7000111.8Q333 L334 S335 Y358 I415 L418 G560 E605Q333-Y413 PolarHBondContact OE1-OH 3.13Å; L334-Y413 WeakPolarHBondContact CA-OH 3.4Å; L334-Y413 PolarHBondContact O-OH 3.01Å; S335-Y413 PolarHBondContact N-OH 2.68Å; Y358-Y413 AromaticContact CD1-CD2 3.5Å; Y358-Y413 HydrophobicContact CD1-CD2 3.5Å; Y358-Y413 AromaticContact CD1-CE2 3.52Å; Y358-Y413 HydrophobicContact CD1-CE2 3.52Å; Y358-Y413 HydrophobicContact CE1-CD2 4.01Å; Y358-Y413 HydrophobicContact CE1-CE2 4.46Å; Y358-Y413 HydrophobicContact CG-CD2 4.29Å; Y358-Y413 AromaticContact CG-CE2 3.96Å; Y358-Y413 HydrophobicContact CG-CE2 3.96Å; Y413-I415 HydrophobicContact CD1-CB 3.78Å; Y413-I415 HydrophobicContact CD1-CG1 4.21Å; Y413-I415 HydrophobicContact CE1-CB 4Å; Y413-I415 HydrophobicContact CE1-CD1 4.49Å; Y413-I415 HydrophobicContact CE1-CG1 3.99Å; Y413-I415 PolarHBondContact O-N 3.44Å; Y413-L418 HydrophobicContact CD1-CD1 4.48Å; Y413-L418 HydrophobicContact CE1-CD1 3.69Å; Y413-L418 HydrophobicContact CE2-CD1 3.82Å; Y413-L418 WeakPolarHBondContact OH-CD1 3.14Å; Y413-G560 PolarHBondContact O-N 2.78Å; Y413-E605 PolarHBondContact N-OE1 3.1Å
414P95.1Very high86.2Confident5 Ų534.7 Ų34.73%0.03217%0.174CC..  trans-82.953.2-170.935.2-37.5000112.9Y358 F412 N416 K417 L418Y358-P414 HydrophobicContact CD2-CG 4.01Å; Y358-P414 HydrophobicContact CE2-CG 3.75Å; F412-P414 WeakPolarHBondContact O-CD 3.48Å; P414-N416 PolarHBondContact O-N 2.86Å; P414-N416 VanDerWaalsContact O-N 3.16Å; P414-K417 HydrophobicContact CB-CB 4.29Å; P414-K417 WeakPolarHBondContact O-CB 3.44Å; P414-K417 PolarHBondContact O-N 3.02Å; P414-L418 HydrophobicContact CG-CD1 4.44Å; P414-L418 HydrophobicContact CG-CD2 4.33Å; P414-L418 HydrophobicContact CG-CG 4.21Å; P414-L418 WeakPolarHBondContact O-CG 3.09Å; P414-L418 PolarHBondContact O-N 2.84Å
415I96.5Very high87.5Confident17 Ų1734.5 Ų34.59%0.08717%0.173CC..Hα-helixtrans-49.5-48.1-164.7-163.5169.8000114.8Q333 Y413 L418 R419 G560 N564Q333-I415 HydrophobicContact CG-CG1 4.45Å; Y413-I415 HydrophobicContact CD1-CB 3.78Å; Y413-I415 HydrophobicContact CD1-CG1 4.21Å; Y413-I415 HydrophobicContact CE1-CB 4Å; Y413-I415 HydrophobicContact CE1-CD1 4.49Å; Y413-I415 HydrophobicContact CE1-CG1 3.99Å; Y413-I415 PolarHBondContact O-N 3.44Å; I415-L418 WeakPolarHBondContact O-CB 3.12Å; I415-L418 PolarHBondContact O-N 3.31Å; I415-R419 WeakPolarHBondContact O-CG 3.31Å; I415-R419 PolarHBondContact O-N 3.18Å; I415-G560 WeakPolarHBondContact CG2-O 3.29Å; I415-N564 HydrophobicContact CG2-CB 3.83Å
416N97.8Very high89Confident1 Ų135.5 Ų35.51%0.00518%0.179CC..Hα-helixtrans-73.7-33.2-176.9-80.6-3.9000112.4P414 L418 R419 N420 D555 N564P414-N416 PolarHBondContact O-N 2.86Å; P414-N416 VanDerWaalsContact O-N 3.16Å; N416-L418 VanDerWaalsContact C-N 3.32Å; N416-L418 PolarHBondContact O-N 3.44Å; N416-R419 PolarHBondContact O-N 2.92Å; N416-R419 PolarHBondContact OD1-NH1 3.37Å; N416-N420 WeakPolarHBondContact O-CB 3.41Å; N416-N420 PolarHBondContact O-N 3.14Å; N416-N420 PolarHBondContact O-ND2 3.36Å; N416-D555 PolarHBondContact ND2-O 3.43Å; N416-N564 PolarHBondContact ND2-O 2.91Å
417K97.3Very high90.5Very high38 Ų3839.6 Ų39.617%0.16519%0.194CC..Hα-helixtrans-62.5-40.9170.5172.4171.8-84.7161.30110.7T306 V308 P414 N420 I421 E556T306-K417 PolarHBondContact O-NZ 3.17Å; V308-K417 PolarHBondContact O-NZ 2.74Å; P414-K417 HydrophobicContact CB-CB 4.29Å; P414-K417 WeakPolarHBondContact O-CB 3.44Å; P414-K417 PolarHBondContact O-N 3.02Å; K417-N420 PolarHBondContact O-N 3.06Å; K417-I421 HydrophobicContact CG-CD1 3.9Å; K417-I421 VanDerWaalsContact O-CG1 3.28Å; K417-I421 WeakPolarHBondContact O-CG1 3.25Å; K417-I421 PolarHBondContact O-N 2.85Å; K417-E556 HydrophobicContact CB-CG 4.4Å; K417-E556 VanDerWaalsContact CE-OE2 3.28Å; K417-E556 WeakPolarHBondContact CE-OE2 3.25Å; K417-E556 IonicContact NZ-OE2 2.78Å
418L98.3Very high92.1Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-63-45.5175.7-57.6173.8000111.9Q333 S356 Y358 V387 Y413 P414 I415 N416 N420 I421 A422Q333-L418 HydrophobicContact CB-CB 3.61Å; Q333-L418 HydrophobicContact CB-CD1 4.38Å; Q333-L418 HydrophobicContact CG-CB 4.08Å; S356-L418 WeakPolarHBondContact CB-O 3.34Å; S356-L418 PolarHBondContact OG-O 2.79Å; Y358-L418 HydrophobicContact CD2-CD2 4.24Å; Y358-L418 HydrophobicContact CG-CD1 4.35Å; Y358-L418 HydrophobicContact CG-CD2 4.49Å; V387-L418 HydrophobicContact CB-CD2 3.53Å; V387-L418 HydrophobicContact CG1-CD2 3.8Å; V387-L418 HydrophobicContact CG2-CD2 3.57Å; Y413-L418 HydrophobicContact CD1-CD1 4.48Å; Y413-L418 HydrophobicContact CE1-CD1 3.69Å; Y413-L418 HydrophobicContact CE2-CD1 3.82Å; Y413-L418 WeakPolarHBondContact OH-CD1 3.14Å; P414-L418 HydrophobicContact CG-CD1 4.44Å; P414-L418 HydrophobicContact CG-CD2 4.33Å; P414-L418 HydrophobicContact CG-CG 4.21Å; P414-L418 WeakPolarHBondContact O-CG 3.09Å; P414-L418 PolarHBondContact O-N 2.84Å; I415-L418 WeakPolarHBondContact O-CB 3.12Å; I415-L418 PolarHBondContact O-N 3.31Å; N416-L418 VanDerWaalsContact C-N 3.32Å; N416-L418 PolarHBondContact O-N 3.44Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.17Å; L418-I421 PolarHBondContact O-N 3.14Å; L418-A422 PolarHBondContact O-N 3.09Å; L418-A422 VanDerWaalsContact O-N 3.1Å
419R98.2Very high93.8Very high8 Ų834.7 Ų34.73%0.0317%0.174CC..Hα-helixtrans-58.6-45.7174.7-69.6-175.1178.9120.8-3.4111.6Q333 I415 N416 I421 A422 L423 D435 Y554 N564Q333-R419 HydrophobicContact CG-CG 3.81Å; I415-R419 WeakPolarHBondContact O-CG 3.31Å; I415-R419 PolarHBondContact O-N 3.18Å; N416-R419 PolarHBondContact O-N 2.92Å; N416-R419 PolarHBondContact OD1-NH1 3.37Å; R419-I421 PolarHBondContact O-N 3.26Å; R419-A422 PolarHBondContact O-N 2.88Å; R419-L423 VanDerWaalsContact O-CB 3.28Å; R419-L423 WeakPolarHBondContact O-CB 3.19Å; R419-L423 PolarHBondContact O-N 3.1Å; R419-D435 IonicContact CZ-OD1 3.31Å; R419-D435 IonicContact NE-OD1 2.64Å; R419-D435 IonicContact NH2-OD1 3.34Å; R419-D435 PolarHBondContact NH2-OD1 2.86Å; R419-D435 IonicContact NH2-OD2 3.75Å; R419-D435 PolarHBondContact NH2-OD2 3.29Å; R419-Y554 HydrophobicContact CB-CD2 3.61Å; R419-Y554 HydrophobicContact CB-CE2 3.78Å; R419-Y554 HydrophobicContact CB-CG 4.2Å; R419-Y554 HydrophobicContact CG-CD2 4.43Å; R419-Y554 HydrophobicContact CG-CE2 4.32Å; R419-N564 PolarHBondContact NH1-OD1 3.48Å; R419-N564 PolarHBondContact NH2-OD1 2.82Å
420N98.3Very high95.1Very high4 Ų430.6 Ų30.62%0.02115%0.151CC..Hα-helixtrans-63.3-39.8178.8-71.1-17.6000112.5N416 K417 L418 L423 R424 Y554 E556N416-N420 WeakPolarHBondContact O-CB 3.41Å; N416-N420 PolarHBondContact O-N 3.14Å; N416-N420 PolarHBondContact O-ND2 3.36Å; K417-N420 PolarHBondContact O-N 3.06Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 3.17Å; N420-L423 PolarHBondContact O-N 3.01Å; N420-R424 WeakPolarHBondContact O-CB 3.38Å; N420-R424 WeakPolarHBondContact O-CG 3.26Å; N420-R424 PolarHBondContact O-N 3.15Å; N420-Y554 PolarHBondContact ND2-O 3.33Å; N420-Y554 WeakPolarHBondContact OD1-CB 3.42Å; N420-Y554 PolarHBondContact OD1-N 3.01Å; N420-E556 VanDerWaalsContact ND2-CG 3.34Å; N420-E556 WeakPolarHBondContact ND2-CG 2.99Å; N420-E556 PolarHBondContact ND2-OE1 3.06Å
421I97.9Very high96.1Very high15 Ų1527.5 Ų27.58%0.07713%0.132CC..Hα-helixtrans-63-44.8176.6-71.9164.3000110.8V312 S356 H385 V387 K417 L418 R419V312-I421 HydrophobicContact CG1-CD1 4.42Å; V312-I421 HydrophobicContact CG1-CG2 4.05Å; V312-I421 HydrophobicContact CG2-CD1 3.86Å; S356-I421 WeakPolarHBondContact OG-CG2 3.34Å; H385-I421 HydrophobicContact CB-CG2 4.06Å; V387-I421 HydrophobicContact CG1-CD1 4.43Å; V387-I421 HydrophobicContact CG2-CD1 3.55Å; V387-I421 HydrophobicContact CG2-CG2 4.38Å; K417-I421 HydrophobicContact CG-CD1 3.9Å; K417-I421 VanDerWaalsContact O-CG1 3.28Å; K417-I421 WeakPolarHBondContact O-CG1 3.25Å; K417-I421 PolarHBondContact O-N 2.85Å; L418-I421 PolarHBondContact O-N 3.14Å; R419-I421 PolarHBondContact O-N 3.26Å
422A98.4Very high96.9Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-65.4-45.5177.200000110.7V331 A354 S356 L418 R419 R424 S425V331-A422 HydrophobicContact CG1-CB 3.62Å; A354-A422 HydrophobicContact CB-CB 4.32Å; S356-A422 WeakPolarHBondContact OG-CB 3.07Å; S356-A422 PolarHBondContact OG-N 3.26Å; S356-A422 VanDerWaalsContact OG-N 3.16Å; L418-A422 PolarHBondContact O-N 3.09Å; L418-A422 VanDerWaalsContact O-N 3.1Å; R419-A422 PolarHBondContact O-N 2.88Å; A422-R424 PolarHBondContact O-N 3.28Å; A422-S425 WeakPolarHBondContact O-CB 3.23Å; A422-S425 PolarHBondContact O-N 2.76Å; A422-S425 VanDerWaalsContact O-N 3.12Å; A422-S425 PolarHBondContact O-OG 3.14Å
423L98Very high97.3Very high16 Ų1625.7 Ų25.78%0.08412%0.12CC..Hα-helixtrans-59.8-41.4179.9-176.959.5000112.7V331 R419 N420 S425 V426 V431 L433 V551V331-L423 HydrophobicContact CG1-CB 4.22Å; V331-L423 HydrophobicContact CG2-CD1 4.35Å; R419-L423 VanDerWaalsContact O-CB 3.28Å; R419-L423 WeakPolarHBondContact O-CB 3.19Å; R419-L423 PolarHBondContact O-N 3.1Å; N420-L423 PolarHBondContact O-N 3.01Å; L423-S425 PolarHBondContact O-N 3.33Å; L423-V426 WeakPolarHBondContact O-CB 2.88Å; L423-V426 WeakPolarHBondContact O-CG2 3.31Å; L423-V426 PolarHBondContact O-N 2.78Å; L423-V431 HydrophobicContact CD1-CB 4.34Å; L423-V431 HydrophobicContact CD1-CG1 3.85Å; L423-V431 HydrophobicContact CD1-CG2 4.05Å; L423-L433 HydrophobicContact CD1-CD2 4.21Å; L423-V551 HydrophobicContact CD1-CG1 4.31Å; L423-V551 HydrophobicContact CD2-CG1 3.95Å
424R96.1Very high97.5Very high177 Ų17724.1 Ų24.167%0.66812%0.115SC*.Hα-helixtrans-64.4-18.8178.2-74.5173.1-166.1163.69.9114.1N420 A422 E556N420-R424 WeakPolarHBondContact O-CB 3.38Å; N420-R424 WeakPolarHBondContact O-CG 3.26Å; N420-R424 PolarHBondContact O-N 3.15Å; A422-R424 PolarHBondContact O-N 3.28Å; R424-E556 IonicContact NH2-OE1 3.45Å
425S94.5Very high97.5Very high9 Ų924.9 Ų24.96%0.06312%0.118CC..THydrogen-bonded Turntrans-86.2-12.9-179.8780000113.8A354 H385 A422 L423A354-S425 WeakPolarHBondContact CB-OG 3.28Å; H385-S425 WeakPolarHBondContact CE1-CB 3.38Å; H385-S425 WeakPolarHBondContact NE2-CB 3.46Å; H385-S425 PolarHBondContact NE2-OG 3.19Å; A422-S425 WeakPolarHBondContact O-CB 3.23Å; A422-S425 PolarHBondContact O-N 2.76Å; A422-S425 VanDerWaalsContact O-N 3.12Å; A422-S425 PolarHBondContact O-OG 3.14Å; L423-S425 PolarHBondContact O-N 3.33Å
426V97.3Very high97.5Very high22 Ų2224.2 Ų24.213%0.13312%0.115CC..  trans-67.9133.5-172.1174.40000110.9T329 V331 A354 L423 T428 V431 T549T329-V426 HydrophobicContact CG2-CG1 4.4Å; T329-V426 HydrophobicContact CG2-CG2 3.91Å; V331-V426 HydrophobicContact CG2-CG2 3.58Å; A354-V426 HydrophobicContact CB-CG2 4.1Å; L423-V426 WeakPolarHBondContact O-CB 2.88Å; L423-V426 WeakPolarHBondContact O-CG2 3.31Å; L423-V426 PolarHBondContact O-N 2.78Å; V426-T428 VanDerWaalsContact CG1-OG1 3.24Å; V426-T428 WeakPolarHBondContact CG1-OG1 3.33Å; V426-V431 HydrophobicContact CB-CG1 4.1Å; V426-V431 HydrophobicContact CG1-CG1 3.62Å; V426-V431 HydrophobicContact CG2-CG1 3.82Å; V426-T549 HydrophobicContact CB-CG2 4.08Å; V426-T549 HydrophobicContact CG1-CG2 3.89Å
427R95.4Very high97.4Very high94 Ų9425.4 Ų25.436%0.35512%0.122SC..  trans-101.4-20.3174.4-60.5-175.6-178.11772113.6Y321 E322 P323Y321-R427 PolarHBondContact O-NH1 2.96Å; Y321-R427 VanDerWaalsContact O-NH1 3.09Å; E322-R427 IonicContact OE1-NH1 2.88Å; P323-R427 HydrophobicContact CG-CB 3.58Å; P323-R427 WeakPolarHBondContact CG-O 3.31Å
428T98.2Very high97.4Very high3 Ų323.8 Ų23.82%0.01812%0.115CC..SBendtrans-73.5155.6-177.856.70000111.8Y321 P323 D327 T329 P352 V426 F430 T549Y321-T428 HydrophobicContact CE1-CG2 4.17Å; P323-T428 HydrophobicContact CB-CG2 4.09Å; P323-T428 HydrophobicContact CG-CG2 4.27Å; D327-T428 HydrophobicContact CB-CG2 3.91Å; D327-T428 VanDerWaalsContact CG-CG2 3.46Å; D327-T428 WeakPolarHBondContact OD2-CG2 3.41Å; T329-T428 VanDerWaalsContact CB-OG1 3.32Å; T329-T428 WeakPolarHBondContact CB-OG1 3.39Å; T329-T428 PolarHBondContact N-OG1 3.16Å; T329-T428 WeakPolarHBondContact OG1-CG2 3.3Å; T329-T428 PolarHBondContact OG1-OG1 2.92Å; P352-T428 HydrophobicContact CG-CG2 3.85Å; V426-T428 VanDerWaalsContact CG1-OG1 3.24Å; V426-T428 WeakPolarHBondContact CG1-OG1 3.33Å; T428-F430 PolarHBondContact O-N 3.03Å; T428-F430 PolarHBondContact OG1-O 3.47Å; T428-T549 WeakPolarHBondContact O-CB 3.47Å; T428-T549 PolarHBondContact O-OG1 3.11Å
429A97.2Very high97.3Very high58 Ų5823.9 Ų23.948%0.47912%0.115SC..SBendtrans-69.2-22.2177.700000113.3T549A429-T549 PolarHBondContact O-N 2.95Å; A429-T549 PolarHBondContact O-OG1 3.5Å
430F98.6Very high97.2Very high30 Ų3023.5 Ų23.513%0.13211%0.113CC..EExtended strand (participates in β ladder)trans-126.9153.4-179.5-50.8-70.4000111.8D327 V328 T329 T428 I452 M458 V546 V547 T549D327-F430 WeakPolarHBondContact O-CD2 3.48Å; D327-F430 PolarHBondContact O-N 3.18Å; V328-F430 WeakPolarHBondContact CA-O 3.24Å; V328-F430 HydrophobicContact CB-CB 4.28Å; V328-F430 HydrophobicContact CG2-CB 4.31Å; T329-F430 PolarHBondContact N-O 3.08Å; T329-F430 VanDerWaalsContact N-O 3.08Å; T428-F430 PolarHBondContact O-N 3.03Å; T428-F430 PolarHBondContact OG1-O 3.47Å; F430-I452 HydrophobicContact CB-CD1 3.81Å; F430-I452 HydrophobicContact CD1-CG2 4.48Å; F430-I452 HydrophobicContact CD2-CD1 3.75Å; F430-I452 HydrophobicContact CD2-CG1 4.43Å; F430-I452 HydrophobicContact CD2-CG2 3.77Å; F430-I452 HydrophobicContact CE1-CG2 4.26Å; F430-I452 HydrophobicContact CE2-CG2 3.46Å; F430-I452 VanDerWaalsContact CE2-CG2 3.46Å; F430-I452 HydrophobicContact CG-CD1 3.74Å; F430-I452 HydrophobicContact CG-CG1 4.35Å; F430-I452 HydrophobicContact CG-CG2 4.28Å; F430-I452 HydrophobicContact CZ-CG2 3.73Å; F430-M458 HydrophobicContact CD1-CB 4.11Å; F430-M458 HydrophobicContact CD1-CE 4.31Å; F430-M458 HydrophobicContact CD1-CG 4.1Å; F430-M458 HydrophobicContact CE1-CB 3.4Å; F430-M458 HydrophobicContact CE1-CG 3.57Å; F430-M458 HydrophobicContact CZ-CB 4.17Å; F430-M458 HydrophobicContact CZ-CG 4.09Å; F430-V546 HydrophobicContact CB-CG1 4.25Å; F430-V547 CarbonylContact C-O 3.55Å; F430-V547 VanDerWaalsContact CA-O 3.3Å; F430-V547 WeakPolarHBondContact CA-O 3.41Å; F430-T549 PolarHBondContact N-OG1 3.3Å
431V98.6Very high97.2Very high0 Ų024 Ų240%012%0.116CC..EExtended strand (participates in β ladder)trans-129.1140176.4-71.60000110.8T329 V331 L423 V426 L433 V546 V547 T549 V551T329-V431 CarbonylContact O-C 3.59Å; T329-V431 VanDerWaalsContact O-CA 3.29Å; T329-V431 WeakPolarHBondContact O-CA 3.46Å; V331-V431 HydrophobicContact CG2-CB 3.92Å; V331-V431 HydrophobicContact CG2-CG1 3.73Å; L423-V431 HydrophobicContact CD1-CB 4.34Å; L423-V431 HydrophobicContact CD1-CG1 3.85Å; L423-V431 HydrophobicContact CD1-CG2 4.05Å; V426-V431 HydrophobicContact CB-CG1 4.1Å; V426-V431 HydrophobicContact CG1-CG1 3.62Å; V426-V431 HydrophobicContact CG2-CG1 3.82Å; V431-L433 HydrophobicContact CB-CD2 4.02Å; V431-L433 HydrophobicContact CG2-CD2 3.75Å; V431-L433 HydrophobicContact CG2-CG 4.09Å; V431-V546 CarbonylContact O-C 3.04Å; V431-V546 WeakPolarHBondContact O-CA 3.46Å; V431-V547 HydrophobicContact CG2-CG2 3.77Å; V431-V547 PolarHBondContact N-O 2.88Å; V431-V547 PolarHBondContact O-N 3.25Å; V431-T549 HydrophobicContact CG1-CG2 4.2Å; V431-V551 HydrophobicContact CG2-CG1 4.34Å
432F98.8Very high97Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-100.9106.5166.2178.7-151.4000109V328 T329 L330 V331 W349 C434 P440 L448 V465 V546V328-F432 HydrophobicContact CG2-CB 3.88Å; T329-F432 PolarHBondContact O-N 2.73Å; L330-F432 WeakPolarHBondContact CA-O 3.46Å; L330-F432 HydrophobicContact CB-CD1 4.48Å; L330-F432 HydrophobicContact CD1-CD1 3.9Å; L330-F432 HydrophobicContact CD1-CE1 4.15Å; L330-F432 HydrophobicContact CG-CD1 3.99Å; V331-F432 PolarHBondContact N-O 3.14Å; W349-F432 HydrophobicContact CH2-CD1 4.04Å; W349-F432 HydrophobicContact CZ3-CD1 4.03Å; W349-F432 HydrophobicContact CZ3-CE1 4.48Å; F432-C434 HydrophobicContact CD1-CB 4.34Å; F432-C434 HydrophobicContact CD2-CB 4.34Å; F432-C434 HydrophobicContact CE1-CB 3.98Å; F432-C434 HydrophobicContact CE2-CB 3.97Å; F432-C434 HydrophobicContact CZ-CB 3.77Å; F432-C434 PolarHBondContact O-N 3Å; F432-P440 HydrophobicContact CE1-CB 4.38Å; F432-P440 HydrophobicContact CE1-CG 3.86Å; F432-L448 HydrophobicContact CB-CD1 4.47Å; F432-L448 HydrophobicContact CD1-CD1 3.97Å; F432-L448 HydrophobicContact CE1-CD1 4.41Å; F432-L448 HydrophobicContact CG-CD1 4.17Å; F432-V465 HydrophobicContact CD2-CG2 4.35Å; F432-V465 HydrophobicContact CE2-CB 3.92Å; F432-V465 HydrophobicContact CE2-CG2 3.71Å; F432-V465 HydrophobicContact CZ-CB 3.99Å; F432-V465 HydrophobicContact CZ-CG1 4.1Å; F432-V465 HydrophobicContact CZ-CG2 3.94Å; F432-V546 HydrophobicContact CB-CG2 3.9Å; F432-V546 HydrophobicContact CD2-CG2 3.9Å; F432-V546 HydrophobicContact CG-CG2 4.08Å
433L98.5Very high97Very high6 Ų628.5 Ų28.53%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-86.4105.5-177.2-55.2-178.8000109.4V331 L423 V431 F545 V547 Y554V331-L433 HydrophobicContact CB-CD2 3.87Å; V331-L433 HydrophobicContact CG1-CD2 4.32Å; V331-L433 HydrophobicContact CG2-CD2 4.18Å; L423-L433 HydrophobicContact CD1-CD2 4.21Å; V431-L433 HydrophobicContact CB-CD2 4.02Å; V431-L433 HydrophobicContact CG2-CD2 3.75Å; V431-L433 HydrophobicContact CG2-CG 4.09Å; L433-F545 HydrophobicContact CD1-CE2 3.81Å; L433-F545 HydrophobicContact CD1-CZ 4.16Å; L433-F545 PolarHBondContact N-O 2.99Å; L433-V547 HydrophobicContact CD1-CG2 4.01Å; L433-V547 HydrophobicContact CG-CG2 4.39Å; L433-Y554 HydrophobicContact CD1-CE2 4.38Å; L433-Y554 WeakPolarHBondContact CD1-OH 3.43Å
434C97.7Very high97Very high4 Ų427.7 Ų27.73%0.02714%0.141CC..  trans-142.4138.9-171.4-158.50000112.1L330 V331 T332 F432 F438L330-C434 HydrophobicContact CD2-CB 4.47Å; L330-C434 HydrophobicContact CG-CB 4.43Å; V331-C434 PolarHBondContact O-N 3.42Å; V331-C434 VanDerWaalsContact O-O 3.08Å; T332-C434 WeakPolarHBondContact CB-O 3.48Å; T332-C434 PolarHBondContact OG1-O 2.88Å; F432-C434 HydrophobicContact CD1-CB 4.34Å; F432-C434 HydrophobicContact CD2-CB 4.34Å; F432-C434 HydrophobicContact CE1-CB 3.98Å; F432-C434 HydrophobicContact CE2-CB 3.97Å; F432-C434 HydrophobicContact CZ-CB 3.77Å; F432-C434 PolarHBondContact O-N 3Å; C434-F438 VanDerWaalsContact SG-CB 3.51Å
435D96.7Very high97.1Very high20 Ų2020 Ų2011%0.10711%0.112CC..  trans-73.8150174.5-72.8-22.3000110.7R419 D437 F438 Y544 K565R419-D435 IonicContact CZ-OD1 3.31Å; R419-D435 IonicContact NE-OD1 2.64Å; R419-D435 IonicContact NH2-OD1 3.34Å; R419-D435 PolarHBondContact NH2-OD1 2.86Å; R419-D435 IonicContact NH2-OD2 3.75Å; R419-D435 PolarHBondContact NH2-OD2 3.29Å; D435-D437 PolarHBondContact O-N 3.22Å; D435-D437 VanDerWaalsContact O-N 3.15Å; D435-F438 HydrophobicContact CB-CD2 3.92Å; D435-F438 HydrophobicContact CB-CE2 4.3Å; D435-F438 PolarHBondContact O-N 2.77Å; D435-Y544 HydrophobicContact CB-CE1 4.13Å; D435-K565 WeakPolarHBondContact OD2-CE 3.24Å; D435-K565 IonicContact OD2-NZ 2.86Å; D435-K565 PolarHBondContact OD2-NZ 2.83Å
436V96.6Very high97.3Very high3 Ų324.3 Ų24.32%0.01813%0.131CC..THydrogen-bonded Turntrans-61.1-29.3-172.869.10000112.6T332 L334 R338 V341 F438T332-V436 WeakPolarHBondContact OG1-CA 3.46Å; T332-V436 PolarHBondContact OG1-N 2.78Å; L334-V436 HydrophobicContact CB-CB 4.14Å; L334-V436 HydrophobicContact CB-CG1 3.84Å; L334-V436 HydrophobicContact CB-CG2 4.1Å; L334-V436 HydrophobicContact CD1-CG2 4.41Å; R338-V436 HydrophobicContact CB-CG1 4.24Å; R338-V436 HydrophobicContact CG-CG1 4.38Å; V341-V436 HydrophobicContact CG1-CG2 4.43Å; V341-V436 WeakPolarHBondContact CG1-O 3.31Å; V436-F438 PolarHBondContact O-N 2.86Å
437D94.8Very high97.3Very high27 Ų2726.3 Ų26.314%0.14414%0.141CC..THydrogen-bonded Turntrans-70.6-8.5-179.4-58-59.5000112.9R338 D435 H597 Y598 H600R338-D437 WeakPolarHBondContact CD-OD1 3.1Å; R338-D437 IonicContact NE-OD1 3.5Å; R338-D437 PolarHBondContact NE-OD1 3.32Å; D435-D437 PolarHBondContact O-N 3.22Å; D435-D437 VanDerWaalsContact O-N 3.15Å; D437-H597 CarbonylContact O-C 3.51Å; D437-H597 WeakPolarHBondContact O-CA 3.45Å; D437-Y598 PolarHBondContact O-N 3.14Å; D437-H600 VanDerWaalsContact CG-CD2 3.41Å; D437-H600 IonicContact OD1-CD2 3.49Å; D437-H600 PolarHBondContact OD1-CD2 2.83Å; D437-H600 IonicContact OD1-NE2 2.86Å; D437-H600 PolarHBondContact OD1-NE2 2.93Å; D437-H600 IonicContact OD2-NE2 2.93Å
438F96.7Very high97.4Very high4 Ų421.9 Ų21.92%0.01812%0.124CC..EExtended strand (participates in β ladder)trans-102.1115.4178.3-71.5-94.2000111.1C434 D435 V436 P440 A467 F496 Y544 A595 H597C434-F438 VanDerWaalsContact SG-CB 3.51Å; D435-F438 HydrophobicContact CB-CD2 3.92Å; D435-F438 HydrophobicContact CB-CE2 4.3Å; D435-F438 PolarHBondContact O-N 2.77Å; V436-F438 PolarHBondContact O-N 2.86Å; F438-P440 WeakPolarHBondContact O-CD 3.47Å; F438-A467 HydrophobicContact CD1-CB 4.34Å; F438-A467 HydrophobicContact CE1-CB 3.84Å; F438-F496 HydrophobicContact CE1-CB 4.47Å; F438-F496 HydrophobicContact CE1-CD1 4.15Å; F438-F496 HydrophobicContact CE1-CD2 4.07Å; F438-F496 HydrophobicContact CE1-CE1 4.46Å; F438-F496 HydrophobicContact CE1-CE2 4.38Å; F438-F496 AromaticContact CE1-CG 3.95Å; F438-F496 HydrophobicContact CE1-CG 3.95Å; F438-F496 HydrophobicContact CE2-CZ 4.41Å; F438-F496 AromaticContact CZ-CD1 3.85Å; F438-F496 HydrophobicContact CZ-CD1 3.85Å; F438-F496 AromaticContact CZ-CD2 3.83Å; F438-F496 HydrophobicContact CZ-CD2 3.83Å; F438-F496 AromaticContact CZ-CE1 3.72Å; F438-F496 HydrophobicContact CZ-CE1 3.72Å; F438-F496 AromaticContact CZ-CE2 3.68Å; F438-F496 HydrophobicContact CZ-CE2 3.68Å; F438-F496 AromaticContact CZ-CG 3.92Å; F438-F496 HydrophobicContact CZ-CG 3.92Å; F438-F496 AromaticContact CZ-CZ 3.63Å; F438-F496 HydrophobicContact CZ-CZ 3.63Å; F438-Y544 HydrophobicContact CD1-CD2 4.27Å; F438-Y544 AromaticContact CD1-CE2 3.8Å; F438-Y544 HydrophobicContact CD1-CE2 3.8Å; F438-Y544 HydrophobicContact CD2-CE1 4.1Å; F438-Y544 HydrophobicContact CD2-CE2 4Å; F438-Y544 AromaticContact CD2-CZ 3.62Å; F438-Y544 HydrophobicContact CE1-CD2 4.28Å; F438-Y544 AromaticContact CE1-CE2 3.46Å; F438-Y544 HydrophobicContact CE1-CE2 3.46Å; F438-Y544 VanDerWaalsContact CE1-CE2 3.46Å; F438-Y544 AromaticContact CE1-CZ 3.97Å; F438-Y544 HydrophobicContact CE2-CE1 4.1Å; F438-Y544 AromaticContact CE2-CE2 3.7Å; F438-Y544 HydrophobicContact CE2-CE2 3.7Å; F438-Y544 AromaticContact CE2-CZ 3.26Å; F438-Y544 WeakPolarHBondContact CE2-OH 3.42Å; F438-Y544 HydrophobicContact CG-CE2 4.06Å; F438-Y544 AromaticContact CZ-CE2 3.39Å; F438-Y544 HydrophobicContact CZ-CE2 3.39Å; F438-Y544 AromaticContact CZ-CZ 3.45Å; F438-Y544 VanDerWaalsContact CZ-CZ 3.45Å; F438-Y544 WeakPolarHBondContact CZ-OH 3.14Å; F438-A595 HydrophobicContact CB-CB 4.16Å; F438-A595 HydrophobicContact CD1-CB 4.37Å; F438-H597 HydrophobicContact CD1-CB 4.03Å; F438-H597 HydrophobicContact CE1-CB 3.59Å; F438-H597 AromaticContact CE2-CD2 3.53Å; F438-H597 HydrophobicContact CZ-CB 3.87Å; F438-H597 AromaticContact CZ-CD2 3.47Å; F438-H597 VanDerWaalsContact CZ-CD2 3.47Å; F438-H597 WeakPolarHBondContact CZ-CD2 3.49Å
439I96.1Very high97.4Very high1 Ų123.6 Ų23.61%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-91.5114.3175.5-51.3-54.6000108.4V341 L344 L345 Y348 F477 A595 V596V341-I439 HydrophobicContact CG1-CD1 4.04Å; L344-I439 HydrophobicContact CB-CD1 4.33Å; L344-I439 HydrophobicContact CD2-CD1 3.98Å; L344-I439 HydrophobicContact CD2-CG1 3.84Å; L344-I439 HydrophobicContact CG-CD1 3.97Å; L344-I439 HydrophobicContact CG-CG1 4.12Å; L345-I439 HydrophobicContact CB-CD1 4.05Å; L345-I439 HydrophobicContact CD1-CD1 4.39Å; Y348-I439 HydrophobicContact CD1-CG2 4.06Å; Y348-I439 HydrophobicContact CD2-CG2 3.92Å; Y348-I439 HydrophobicContact CG-CG2 3.59Å; I439-F477 HydrophobicContact CB-CD1 4.11Å; I439-F477 HydrophobicContact CB-CE1 3.58Å; I439-F477 HydrophobicContact CB-CZ 3.98Å; I439-F477 HydrophobicContact CG1-CE1 3.71Å; I439-F477 HydrophobicContact CG1-CZ 3.63Å; I439-F477 HydrophobicContact CG2-CD1 4.28Å; I439-F477 HydrophobicContact CG2-CE1 4.12Å; I439-F477 HydrophobicContact CG2-CZ 4.38Å; I439-A595 WeakPolarHBondContact O-CA 3.43Å; I439-V596 PolarHBondContact N-O 3.42Å; I439-V596 PolarHBondContact O-N 2.86Å
440P97.7Very high97.5Very high0 Ų026.7 Ų26.70%013%0.134CC..EExtended strand (participates in β ladder)trans-63.8148.1173.2-18.834.1000109.9L330 L345 W349 F432 F438 A444L330-P440 HydrophobicContact CD1-CG 3.86Å; L345-P440 VanDerWaalsContact CD1-CD 3.45Å; L345-P440 HydrophobicContact CD1-CG 4.25Å; W349-P440 HydrophobicContact CE3-CB 4.12Å; W349-P440 HydrophobicContact CE3-CG 3.96Å; W349-P440 HydrophobicContact CZ3-CB 4.48Å; W349-P440 HydrophobicContact CZ3-CG 4.49Å; F432-P440 HydrophobicContact CE1-CB 4.38Å; F432-P440 HydrophobicContact CE1-CG 3.86Å; F438-P440 WeakPolarHBondContact O-CD 3.47Å; P440-A444 HydrophobicContact CB-CB 3.67Å
441M96.4Very high97.5Very high14 Ų1426 Ų267%0.06913%0.134CC..PPolyproline II helixtrans-56.5152.3174.166.9173.9-7800111.9G443 A444 L447 L479 V593 F594M441-G443 PolarHBondContact O-N 2.94Å; M441-A444 HydrophobicContact CG-CB 4.05Å; M441-A444 WeakPolarHBondContact O-CB 3.49Å; M441-A444 PolarHBondContact O-N 3.07Å; M441-L447 HydrophobicContact CE-CD1 3.91Å; M441-L447 HydrophobicContact SD-CD1 4.08Å; M441-L479 VanDerWaalsContact CE-O 3.3Å; M441-L479 WeakPolarHBondContact CE-O 3.48Å; M441-V593 HydrophobicContact CG-CG2 4.21Å; M441-V593 HydrophobicContact SD-CB 4.48Å; M441-V593 HydrophobicContact SD-CG2 4.39Å; M441-F594 HydrophobicContact CB-CD2 4.08Å; M441-F594 HydrophobicContact CB-CE1 4.1Å; M441-F594 HydrophobicContact CB-CE2 3.58Å; M441-F594 HydrophobicContact CB-CZ 3.62Å; M441-F594 HydrophobicContact CE-CE1 4.33Å; M441-F594 HydrophobicContact CG-CE1 4.37Å; M441-F594 HydrophobicContact CG-CZ 4.37Å; M441-F594 PolarHBondContact N-O 2.84Å; M441-F594 HydrophobicContact SD-CD1 3.71Å; M441-F594 HydrophobicContact SD-CE1 3.49Å; M441-F594 WeakPolarHBondContact SD-CE1 3.5Å; M441-F594 HydrophobicContact SD-CG 4.39Å; M441-F594 HydrophobicContact SD-CZ 4Å
442M95.5Very high97.4Very high81 Ų8126.1 Ų26.140%0.39914%0.135SC..THydrogen-bonded Turntrans-57131.1176.6-164.471.4-112.400110.1Y348 A444 L479Y348-M442 HydrophobicContact CD1-CB 4.33Å; Y348-M442 HydrophobicContact CD1-SD 4.26Å; Y348-M442 VanDerWaalsContact O-CE 3.28Å; Y348-M442 WeakPolarHBondContact O-CE 3.27Å; M442-A444 VanDerWaalsContact C-N 3.31Å; M442-L479 HydrophobicContact CB-CD2 4.46Å
443G97Very high97.4Very high29 Ų2931 Ų3130%0.29916%0.158SC..THydrogen-bonded Turntrans81.33.4-177.100000115.1M441 Y445 E446 L447M441-G443 PolarHBondContact O-N 2.94Å; G443-Y445 PolarHBondContact O-N 3.09Å; G443-Y445 VanDerWaalsContact O-N 3.15Å; G443-E446 PolarHBondContact O-N 3.07Å; G443-L447 PolarHBondContact O-N 2.93Å
444A98.1Very high97.3Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-52.3-37.4177.300000113W349 P440 M441 M442 E446 L447 L448 V593W349-A444 HydrophobicContact CE3-CB 4.47Å; W349-A444 HydrophobicContact CZ3-CB 4.14Å; P440-A444 HydrophobicContact CB-CB 3.67Å; M441-A444 HydrophobicContact CG-CB 4.05Å; M441-A444 WeakPolarHBondContact O-CB 3.49Å; M441-A444 PolarHBondContact O-N 3.07Å; M442-A444 VanDerWaalsContact C-N 3.31Å; A444-E446 PolarHBondContact O-N 3.23Å; A444-L447 PolarHBondContact O-N 3.23Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 WeakPolarHBondContact O-CG 3.23Å; A444-L448 PolarHBondContact O-N 3.45Å; A444-V593 HydrophobicContact CB-CG2 3.78Å
445Y98.3Very high97.2Very high16 Ų1638.7 Ų38.76%0.06320%0.197CC..Hα-helixtrans-54.6-50.2178.3173.2-122.9000113.1D327 V328 W349 G351 G443 L448 K449D327-Y445 VanDerWaalsContact OD1-CE2 3.3Å; D327-Y445 WeakPolarHBondContact OD1-CE2 3.19Å; D327-Y445 PolarHBondContact OD1-OH 3.37Å; V328-Y445 HydrophobicContact CG1-CD2 3.67Å; V328-Y445 HydrophobicContact CG1-CE2 3.82Å; W349-Y445 HydrophobicContact CH2-CD2 4.06Å; W349-Y445 AromaticContact CZ2-CD2 3.85Å; W349-Y445 HydrophobicContact CZ2-CD2 3.85Å; W349-Y445 HydrophobicContact CZ2-CG 4.47Å; G351-Y445 VanDerWaalsContact CA-CD2 3.47Å; G351-Y445 VanDerWaalsContact CA-CG 3.48Å; G443-Y445 PolarHBondContact O-N 3.09Å; G443-Y445 VanDerWaalsContact O-N 3.15Å; Y445-L448 PolarHBondContact O-N 3.27Å; Y445-K449 HydrophobicContact CD1-CD 4.35Å; Y445-K449 HydrophobicContact CD2-CD 4.2Å; Y445-K449 HydrophobicContact CD2-CG 4.48Å; Y445-K449 HydrophobicContact CE1-CD 3.83Å; Y445-K449 HydrophobicContact CE2-CD 3.66Å; Y445-K449 HydrophobicContact CE2-CG 4.13Å; Y445-K449 VanDerWaalsContact CZ-CD 3.47Å; Y445-K449 WeakPolarHBondContact O-CG 3.43Å; Y445-K449 PolarHBondContact O-N 3.21Å
446E98.1Very high97Very high98 Ų9840.3 Ų40.346%0.45822%0.218SC..Hα-helixtrans-70.8-35.3179.8-63.9-55.8153.200112G443 A444 L448 K449 K450G443-E446 PolarHBondContact O-N 3.07Å; A444-E446 PolarHBondContact O-N 3.23Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.39Å; E446-K449 PolarHBondContact O-N 3.01Å; E446-K449 IonicContact OE1-NZ 3.53Å; E446-K449 PolarHBondContact OE1-NZ 3.09Å; E446-K449 IonicContact OE2-NZ 3.67Å; E446-K449 PolarHBondContact OE2-NZ 3.36Å; E446-K450 WeakPolarHBondContact O-CB 3.31Å; E446-K450 PolarHBondContact O-N 2.9Å
447L98.1Very high96.8Very high65 Ų6543.2 Ų43.234%0.3424%0.239SC..Hα-helixtrans-63.6-38.5174.8-67.2172.4000112M441 G443 A444 A451 N592M441-L447 HydrophobicContact CE-CD1 3.91Å; M441-L447 HydrophobicContact SD-CD1 4.08Å; G443-L447 PolarHBondContact O-N 2.93Å; A444-L447 PolarHBondContact O-N 3.23Å; L447-A451 WeakPolarHBondContact O-CB 3.22Å; L447-A451 PolarHBondContact O-N 2.86Å; L447-N592 WeakPolarHBondContact CD1-O 3.09Å
448L98.6Very high96.7Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-70.9-41.7177.7-69.8176.6000111.9V328 W349 F432 A444 Y445 E446 K450 A451 I452 V465 V546 L590 V593V328-L448 HydrophobicContact CG1-CB 4.1Å; W349-L448 HydrophobicContact CH2-CD1 3.82Å; W349-L448 HydrophobicContact CZ3-CD1 3.92Å; F432-L448 HydrophobicContact CB-CD1 4.47Å; F432-L448 HydrophobicContact CD1-CD1 3.97Å; F432-L448 HydrophobicContact CE1-CD1 4.41Å; F432-L448 HydrophobicContact CG-CD1 4.17Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 WeakPolarHBondContact O-CG 3.23Å; A444-L448 PolarHBondContact O-N 3.45Å; Y445-L448 PolarHBondContact O-N 3.27Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.39Å; L448-K450 VanDerWaalsContact C-N 3.31Å; L448-K450 PolarHBondContact O-N 2.97Å; L448-A451 PolarHBondContact O-N 3.05Å; L448-I452 WeakPolarHBondContact O-CD1 3.3Å; L448-I452 VanDerWaalsContact O-CG1 3.31Å; L448-I452 WeakPolarHBondContact O-CG1 3.01Å; L448-I452 PolarHBondContact O-N 2.87Å; L448-V465 HydrophobicContact CD2-CG2 3.81Å; L448-V546 HydrophobicContact CD1-CG2 3.83Å; L448-V546 HydrophobicContact CD2-CG2 3.73Å; L448-V546 HydrophobicContact CG-CG2 4.21Å; L448-L590 HydrophobicContact CD2-CD1 3.55Å; L448-V593 HydrophobicContact CD2-CG1 4.04Å; L448-V593 HydrophobicContact CD2-CG2 4.36Å; L448-V593 HydrophobicContact CG-CG2 4.49Å
449K98.2Very high96.4Very high39 Ų3948.5 Ų48.517%0.1726%0.263CS..Hα-helixtrans-56.7-46.8172-75171.459.2-162.10111.5Y326 V328 Y445 E446 I452 Q453Y326-K449 WeakPolarHBondContact O-CG 3.19Å; V328-K449 HydrophobicContact CG1-CG 4.31Å; Y445-K449 HydrophobicContact CD1-CD 4.35Å; Y445-K449 HydrophobicContact CD2-CD 4.2Å; Y445-K449 HydrophobicContact CD2-CG 4.48Å; Y445-K449 HydrophobicContact CE1-CD 3.83Å; Y445-K449 HydrophobicContact CE2-CD 3.66Å; Y445-K449 HydrophobicContact CE2-CG 4.13Å; Y445-K449 VanDerWaalsContact CZ-CD 3.47Å; Y445-K449 WeakPolarHBondContact O-CG 3.43Å; Y445-K449 PolarHBondContact O-N 3.21Å; E446-K449 PolarHBondContact O-N 3.01Å; E446-K449 IonicContact OE1-NZ 3.53Å; E446-K449 PolarHBondContact OE1-NZ 3.09Å; E446-K449 IonicContact OE2-NZ 3.67Å; E446-K449 PolarHBondContact OE2-NZ 3.36Å; K449-I452 PolarHBondContact O-N 2.83Å; K449-Q453 PolarHBondContact O-N 3.15Å
450K98Very high96Very high123 Ų12351 Ų5154%0.53527%0.272SS..Hα-helixtrans-62.1-44.4176-176.2174.8179.3179.10111.7E446 L448 I452 Q453 D454E446-K450 WeakPolarHBondContact O-CB 3.31Å; E446-K450 PolarHBondContact O-N 2.9Å; L448-K450 VanDerWaalsContact C-N 3.31Å; L448-K450 PolarHBondContact O-N 2.97Å; K450-I452 VanDerWaalsContact C-N 3.32Å; K450-I452 PolarHBondContact O-N 2.92Å; K450-Q453 WeakPolarHBondContact O-CB 2.92Å; K450-Q453 PolarHBondContact O-N 3.38Å; K450-Q453 VanDerWaalsContact O-N 3.16Å; K450-D454 WeakPolarHBondContact CG-OD2 3.31Å; K450-D454 WeakPolarHBondContact O-CB 3.4Å; K450-D454 VanDerWaalsContact O-CG 3.25Å; K450-D454 PolarHBondContact O-N 3.31Å
451A98.1Very high95.7Very high17 Ų1751.1 Ų51.114%0.1427%0.273CS..Hα-helixtrans-61.8-38.6178.100000112.7L447 L448 Q455 L463 L590L447-A451 WeakPolarHBondContact O-CB 3.22Å; L447-A451 PolarHBondContact O-N 2.86Å; L448-A451 PolarHBondContact O-N 3.05Å; A451-Q455 WeakPolarHBondContact O-CB 3.35Å; A451-Q455 PolarHBondContact O-N 3.4Å; A451-L463 HydrophobicContact CB-CD1 4.14Å; A451-L590 HydrophobicContact CB-CD1 3.92Å; A451-L590 HydrophobicContact CB-CD2 3.86Å
452I98.1Very high95.7Very high1 Ų150.4 Ų50.41%0.00527%0.269CS..Hα-helixtrans-62-47.7173-70.9159.1000110.5Y326 V328 F430 L448 K449 K450 Q455 G456 M458 L463 V546Y326-I452 HydrophobicContact CD1-CG2 3.88Å; Y326-I452 HydrophobicContact CG-CG2 4.41Å; Y326-I452 WeakPolarHBondContact O-CD1 3.31Å; V328-I452 HydrophobicContact CB-CD1 4.14Å; F430-I452 HydrophobicContact CB-CD1 3.81Å; F430-I452 HydrophobicContact CD1-CG2 4.48Å; F430-I452 HydrophobicContact CD2-CD1 3.75Å; F430-I452 HydrophobicContact CD2-CG1 4.43Å; F430-I452 HydrophobicContact CD2-CG2 3.77Å; F430-I452 HydrophobicContact CE1-CG2 4.26Å; F430-I452 HydrophobicContact CE2-CG2 3.46Å; F430-I452 VanDerWaalsContact CE2-CG2 3.46Å; F430-I452 HydrophobicContact CG-CD1 3.74Å; F430-I452 HydrophobicContact CG-CG1 4.35Å; F430-I452 HydrophobicContact CG-CG2 4.28Å; F430-I452 HydrophobicContact CZ-CG2 3.73Å; L448-I452 WeakPolarHBondContact O-CD1 3.3Å; L448-I452 VanDerWaalsContact O-CG1 3.31Å; L448-I452 WeakPolarHBondContact O-CG1 3.01Å; L448-I452 PolarHBondContact O-N 2.87Å; K449-I452 PolarHBondContact O-N 2.83Å; K450-I452 VanDerWaalsContact C-N 3.32Å; K450-I452 PolarHBondContact O-N 2.92Å; I452-Q455 PolarHBondContact O-N 3.38Å; I452-G456 PolarHBondContact O-N 3.33Å; I452-M458 HydrophobicContact CG1-CE 4.37Å; I452-M458 HydrophobicContact CG1-SD 4.43Å; I452-M458 HydrophobicContact CG2-CG 3.94Å; I452-L463 HydrophobicContact CG1-CD1 4.22Å; I452-V546 HydrophobicContact CD1-CG1 3.91Å; I452-V546 HydrophobicContact CG1-CG1 4.17Å
453Q97.5Very high95.8Very high104 Ų10446.6 Ų46.649%0.48625%0.251SS..Hα-helixtrans-59.9-48.3178.8-179.7178.74.400111.4Y326 K449 K450 Q455 G456Y326-Q453 HydrophobicContact CD1-CB 4.27Å; Y326-Q453 HydrophobicContact CD2-CB 3.89Å; Y326-Q453 HydrophobicContact CD2-CG 4.09Å; Y326-Q453 HydrophobicContact CE1-CB 4.32Å; Y326-Q453 HydrophobicContact CE1-CG 4.45Å; Y326-Q453 HydrophobicContact CE2-CB 3.94Å; Y326-Q453 HydrophobicContact CE2-CG 3.66Å; Y326-Q453 HydrophobicContact CG-CB 4.06Å; K449-Q453 PolarHBondContact O-N 3.15Å; K450-Q453 WeakPolarHBondContact O-CB 2.92Å; K450-Q453 PolarHBondContact O-N 3.38Å; K450-Q453 VanDerWaalsContact O-N 3.16Å; Q453-Q455 VanDerWaalsContact C-N 3.33Å; Q453-Q455 PolarHBondContact O-N 3.16Å; Q453-G456 PolarHBondContact O-N 3.19Å
454D97Very high95.8Very high116 Ų11645.3 Ų45.362%0.6224%0.237SC*.Hα-helixtrans-66.8-33.2-178.7-67.6-15.9000112K450 G456K450-D454 WeakPolarHBondContact CG-OD2 3.31Å; K450-D454 WeakPolarHBondContact O-CB 3.4Å; K450-D454 VanDerWaalsContact O-CG 3.25Å; K450-D454 PolarHBondContact O-N 3.31Å; D454-G456 VanDerWaalsContact C-N 3.29Å; D454-G456 PolarHBondContact O-N 3.11Å
455Q95Very high95.8Very high54 Ų5445.4 Ų45.425%0.25224%0.237SC..Hα-helixtrans-68.6-27.4175.7-175.365.317.700112.6A451 I452 Q453 S457 M458 T461 L463A451-Q455 WeakPolarHBondContact O-CB 3.35Å; A451-Q455 PolarHBondContact O-N 3.4Å; I452-Q455 PolarHBondContact O-N 3.38Å; Q453-Q455 VanDerWaalsContact C-N 3.33Å; Q453-Q455 PolarHBondContact O-N 3.16Å; Q455-S457 PolarHBondContact O-N 2.85Å; Q455-S457 VanDerWaalsContact O-N 3.1Å; Q455-M458 HydrophobicContact CB-SD 4.27Å; Q455-M458 HydrophobicContact CG-SD 3.95Å; Q455-T461 HydrophobicContact CG-CG2 4.08Å; Q455-L463 HydrophobicContact CG-CD2 4.17Å
456G92.5Very high95.8Very high54 Ų5444.7 Ų44.756%0.55724%0.235SC*.  trans73.8-93.6-177.200000112.4I452 Q453 D454 M458I452-G456 PolarHBondContact O-N 3.33Å; Q453-G456 PolarHBondContact O-N 3.19Å; D454-G456 VanDerWaalsContact C-N 3.29Å; D454-G456 PolarHBondContact O-N 3.11Å; G456-M458 PolarHBondContact O-N 3.46Å
457S92.1Very high95.7Very high65 Ų6540.1 Ų40.146%0.45521%0.214SC..  trans-83.9114.8179.4-179.40000111.4Q455 E459Q455-S457 PolarHBondContact O-N 2.85Å; Q455-S457 VanDerWaalsContact O-N 3.1Å; S457-E459 VanDerWaalsContact C-N 3.3Å; S457-E459 PolarHBondContact OG-N 2.77Å
458M94Very high95.6Very high10 Ų1037 Ų375%0.04920%0.197CC..  trans-89.77.8172.1-74.2-64.2-67.900113.1F430 I452 Q455 G456 R460 T461 L463 V546F430-M458 HydrophobicContact CD1-CB 4.11Å; F430-M458 HydrophobicContact CD1-CE 4.31Å; F430-M458 HydrophobicContact CD1-CG 4.1Å; F430-M458 HydrophobicContact CE1-CB 3.4Å; F430-M458 HydrophobicContact CE1-CG 3.57Å; F430-M458 HydrophobicContact CZ-CB 4.17Å; F430-M458 HydrophobicContact CZ-CG 4.09Å; I452-M458 HydrophobicContact CG1-CE 4.37Å; I452-M458 HydrophobicContact CG1-SD 4.43Å; I452-M458 HydrophobicContact CG2-CG 3.94Å; Q455-M458 HydrophobicContact CB-SD 4.27Å; Q455-M458 HydrophobicContact CG-SD 3.95Å; G456-M458 PolarHBondContact O-N 3.46Å; M458-R460 PolarHBondContact O-N 3.27Å; M458-T461 PolarHBondContact O-N 2.94Å; M458-T461 HydrophobicContact SD-CG2 4.3Å; M458-L463 HydrophobicContact CE-CD1 3.99Å; M458-L463 HydrophobicContact CE-CG 3.96Å; M458-L463 HydrophobicContact SD-CD1 3.78Å; M458-L463 HydrophobicContact SD-CG 3.98Å; M458-V546 HydrophobicContact CE-CG1 4.37Å
459E89.8Confident95.4Very high132 Ų13238.8 Ų38.862%0.61721%0.206SC*.THydrogen-bonded Turntrans-61.8121.8173.7-170.6-175.917900109.4S457 T461S457-E459 VanDerWaalsContact C-N 3.3Å; S457-E459 PolarHBondContact OG-N 2.77Å; E459-T461 PolarHBondContact O-N 3.1Å; E459-T461 VanDerWaalsContact O-N 3.11Å; E459-T461 PolarHBondContact O-OG1 2.91Å; E459-T461 VanDerWaalsContact O-OG1 3.07Å
460R87.2Confident95.1Very high54 Ų5437.6 Ų37.620%0.20420%0.201CC..THydrogen-bonded Turntrans51.237179.8-62167.8175.2-88.7-17.9112.8M458 E575 G576 K583 Y585 Q586M458-R460 PolarHBondContact O-N 3.27Å; R460-E575 VanDerWaalsContact NH1-C 3.31Å; R460-E575 PolarHBondContact NH1-O 2.84Å; R460-G576 VanDerWaalsContact NH1-CA 3.33Å; R460-K583 VanDerWaalsContact CD-O 3.29Å; R460-K583 WeakPolarHBondContact CD-O 3.2Å; R460-Y585 VanDerWaalsContact C-CD1 3.43Å; R460-Y585 HydrophobicContact CB-CD1 4.25Å; R460-Y585 HydrophobicContact CB-CD2 3.97Å; R460-Y585 HydrophobicContact CB-CE1 4.35Å; R460-Y585 HydrophobicContact CB-CE2 4.11Å; R460-Y585 HydrophobicContact CB-CG 4.07Å; R460-Y585 HydrophobicContact CG-CD2 4.08Å; R460-Y585 HydrophobicContact CG-CE2 3.9Å; R460-Y585 CarbonylContact O-C 3.46Å; R460-Y585 VanDerWaalsContact O-CA 3.26Å; R460-Y585 WeakPolarHBondContact O-CA 3.37Å; R460-Y585 WeakPolarHBondContact O-CD1 3.4Å; R460-Q586 PolarHBondContact O-N 2.76Å
461T92.9Very high94.5Very high1 Ų136 Ų361%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-124.2128.8-179.2-60.90000109.1Q455 M458 E459 L463 Q586 Y588Q455-T461 HydrophobicContact CG-CG2 4.08Å; M458-T461 PolarHBondContact O-N 2.94Å; M458-T461 HydrophobicContact SD-CG2 4.3Å; E459-T461 PolarHBondContact O-N 3.1Å; E459-T461 VanDerWaalsContact O-N 3.11Å; E459-T461 PolarHBondContact O-OG1 2.91Å; E459-T461 VanDerWaalsContact O-OG1 3.07Å; T461-L463 HydrophobicContact CG2-CD2 4.09Å; T461-Q586 WeakPolarHBondContact CA-O 3.48Å; T461-Y588 HydrophobicContact CG2-CD2 3.87Å; T461-Y588 HydrophobicContact CG2-CE2 4.2Å
462A95Very high93.9Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-113.3122.3174.300000109.4F545 V546 V547 Q586 F587 Y588A462-F545 HydrophobicContact CB-CB 4.33Å; A462-F545 HydrophobicContact CB-CD2 4.05Å; A462-F545 HydrophobicContact CB-CG 4.24Å; A462-V546 CarbonylContact C-O 3.57Å; A462-V546 WeakPolarHBondContact CA-O 3.43Å; A462-V547 HydrophobicContact CB-CG1 3.57Å; A462-Q586 PolarHBondContact N-O 2.91Å; A462-F587 HydrophobicContact CB-CD1 3.56Å; A462-F587 HydrophobicContact CB-CE1 3.74Å; A462-F587 HydrophobicContact CB-CG 4.35Å; A462-F587 CarbonylContact O-C 3.41Å; A462-F587 WeakPolarHBondContact O-CA 3.45Å; A462-Y588 PolarHBondContact O-N 3.44Å
463L97.9Very high92.9Very high1 Ų147.7 Ų47.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-96.2104175.1-54.9178.2000108.9A451 I452 Q455 M458 T461 F545 V546 Y588 L590A451-L463 HydrophobicContact CB-CD1 4.14Å; I452-L463 HydrophobicContact CG1-CD1 4.22Å; Q455-L463 HydrophobicContact CG-CD2 4.17Å; M458-L463 HydrophobicContact CE-CD1 3.99Å; M458-L463 HydrophobicContact CE-CG 3.96Å; M458-L463 HydrophobicContact SD-CD1 3.78Å; M458-L463 HydrophobicContact SD-CG 3.98Å; T461-L463 HydrophobicContact CG2-CD2 4.09Å; L463-F545 CarbonylContact O-C 3.52Å; L463-F545 WeakPolarHBondContact O-CA 3.37Å; L463-F545 WeakPolarHBondContact O-CB 3.23Å; L463-V546 HydrophobicContact CB-CB 4.26Å; L463-V546 PolarHBondContact N-O 3.46Å; L463-V546 PolarHBondContact O-N 3.44Å; L463-Y588 CarbonylContact C-O 3.59Å; L463-Y588 WeakPolarHBondContact CA-O 3.46Å; L463-L590 HydrophobicContact CB-CD1 3.88Å; L463-L590 HydrophobicContact CB-CD2 4.19Å; L463-L590 HydrophobicContact CB-CG 4Å; L463-L590 HydrophobicContact CD1-CD2 4.44Å; L463-L590 HydrophobicContact CD2-CD2 4.26Å
464I97.5Very high92Very high2 Ų248 Ų481%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-72.7131-178.4-63.5160.8000110P466 T508 A522 F541 P543 Y544 F545 F587 Y588 V589 L590I464-P466 WeakPolarHBondContact O-CD 3.4Å; I464-T508 HydrophobicContact CG2-CG2 4.46Å; I464-A522 HydrophobicContact CD1-CB 3.89Å; I464-F541 HydrophobicContact CD1-CE1 3.85Å; I464-F541 HydrophobicContact CD1-CZ 3.75Å; I464-P543 HydrophobicContact CD1-CB 4.44Å; I464-P543 HydrophobicContact CG1-CB 4.04Å; I464-P543 HydrophobicContact CG2-CB 4.09Å; I464-Y544 WeakPolarHBondContact CA-O 3.36Å; I464-F545 HydrophobicContact CG1-CB 4.32Å; I464-F587 HydrophobicContact CD1-CB 3.77Å; I464-F587 HydrophobicContact CD1-CD1 4.29Å; I464-F587 HydrophobicContact CD1-CG 4.5Å; I464-F587 HydrophobicContact CG1-CD1 4.47Å; I464-Y588 PolarHBondContact N-O 3.48Å; I464-V589 HydrophobicContact CB-CG2 4.32Å; I464-V589 HydrophobicContact CD1-CG2 4.04Å; I464-V589 HydrophobicContact CG2-CG2 4.49Å; I464-L590 PolarHBondContact O-N 3.42Å
465V98.2Very high91Very high2 Ų243.7 Ų43.71%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-100.3111.4168.6-179.80000107.8F432 L448 Y544 V593 A595F432-V465 HydrophobicContact CD2-CG2 4.35Å; F432-V465 HydrophobicContact CE2-CB 3.92Å; F432-V465 HydrophobicContact CE2-CG2 3.71Å; F432-V465 HydrophobicContact CZ-CB 3.99Å; F432-V465 HydrophobicContact CZ-CG1 4.1Å; F432-V465 HydrophobicContact CZ-CG2 3.94Å; L448-V465 HydrophobicContact CD2-CG2 3.81Å; V465-Y544 PolarHBondContact N-O 2.81Å; V465-V593 HydrophobicContact CG1-CG1 4.35Å; V465-V593 HydrophobicContact CG1-CG2 4.22Å; V465-V593 HydrophobicContact CG2-CG1 4.16Å; V465-A595 HydrophobicContact CG1-CB 4.19Å
466P97.5Very high90.5Very high1 Ų149.8 Ų49.81%0.00626%0.261CS..  trans-61.1145.7-179.1-3344.3000113.7I464 F468 T508 Y510 W513 V589 V593 F594 A595I464-P466 WeakPolarHBondContact O-CD 3.4Å; P466-F468 HydrophobicContact CB-CE2 4.03Å; P466-T508 HydrophobicContact CB-CG2 4.15Å; P466-T508 HydrophobicContact CG-CG2 3.89Å; P466-Y510 HydrophobicContact CB-CE1 3.8Å; P466-W513 HydrophobicContact CG-CG 4.25Å; P466-V589 HydrophobicContact CG-CG1 3.47Å; P466-V589 VanDerWaalsContact CG-CG1 3.47Å; P466-V593 WeakPolarHBondContact CD-O 3.49Å; P466-F594 WeakPolarHBondContact O-CA 3.47Å; P466-A595 PolarHBondContact O-N 3.33Å
467A96.4Very high90.5Very high2 Ų248.2 Ų48.22%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-111.8127.7-171.900000111F438 F496 Y510 Y544 A595F438-A467 HydrophobicContact CD1-CB 4.34Å; F438-A467 HydrophobicContact CE1-CB 3.84Å; A467-F496 HydrophobicContact CB-CB 3.82Å; A467-F496 HydrophobicContact CB-CD1 4.27Å; A467-F496 HydrophobicContact CB-CG 4.33Å; A467-F496 WeakPolarHBondContact O-CB 3.32Å; A467-F496 PolarHBondContact O-N 3.08Å; A467-F496 VanDerWaalsContact O-N 3.09Å; A467-Y510 PolarHBondContact N-OH 3.45Å; A467-Y510 VanDerWaalsContact N-OH 3.16Å; A467-Y510 PolarHBondContact O-OH 2.87Å; A467-Y510 VanDerWaalsContact O-OH 3.06Å; A467-Y544 HydrophobicContact CB-CD2 3.89Å; A467-Y544 HydrophobicContact CB-CE2 3.88Å; A467-A595 WeakPolarHBondContact CA-O 3.25Å
468F96.2Very high90.6Very high0 Ų045.3 Ų45.30%022%0.218CC..EExtended strand (participates in β ladder)trans-119.9165.4174.8-64.2-90.2000109.9P466 L484 I493 A494 I495 Y510 W513 M514 F594 A595 V596 H597P466-F468 HydrophobicContact CB-CE2 4.03Å; F468-L484 HydrophobicContact CB-CD1 4.45Å; F468-L484 HydrophobicContact CD1-CD1 4.31Å; F468-L484 HydrophobicContact CD1-CD2 4.08Å; F468-L484 HydrophobicContact CD2-CD1 3.57Å; F468-L484 HydrophobicContact CD2-CD2 4.49Å; F468-L484 HydrophobicContact CE1-CD2 3.75Å; F468-L484 HydrophobicContact CE2-CD1 3.78Å; F468-L484 HydrophobicContact CE2-CD2 4.17Å; F468-L484 HydrophobicContact CG-CD1 3.84Å; F468-L484 HydrophobicContact CG-CD2 4.44Å; F468-L484 HydrophobicContact CZ-CD1 4.25Å; F468-L484 HydrophobicContact CZ-CD2 3.8Å; F468-I493 HydrophobicContact CB-CG2 3.83Å; F468-I493 HydrophobicContact CD1-CG2 4.13Å; F468-I493 HydrophobicContact CG-CG2 4.32Å; F468-A494 CarbonylContact C-O 3.52Å; F468-A494 VanDerWaalsContact CA-O 3.29Å; F468-A494 WeakPolarHBondContact CA-O 3.33Å; F468-A494 WeakPolarHBondContact CB-O 3.4Å; F468-I495 HydrophobicContact CE1-CG1 4.3Å; F468-Y510 HydrophobicContact CE1-CD1 4.04Å; F468-Y510 HydrophobicContact CE1-CE1 4.2Å; F468-Y510 HydrophobicContact CE2-CE1 4.26Å; F468-Y510 AromaticContact CZ-CD1 3.84Å; F468-Y510 HydrophobicContact CZ-CD1 3.84Å; F468-Y510 AromaticContact CZ-CE1 3.93Å; F468-Y510 HydrophobicContact CZ-CE1 3.93Å; F468-W513 HydrophobicContact CE1-CZ3 4.41Å; F468-W513 HydrophobicContact CE2-CE3 4.32Å; F468-W513 AromaticContact CE2-CH2 3.8Å; F468-W513 HydrophobicContact CE2-CH2 3.8Å; F468-W513 HydrophobicContact CE2-CZ2 4.17Å; F468-W513 AromaticContact CE2-CZ3 3.91Å; F468-W513 HydrophobicContact CE2-CZ3 3.91Å; F468-W513 HydrophobicContact CZ-CD2 4.28Å; F468-W513 AromaticContact CZ-CE3 3.67Å; F468-W513 HydrophobicContact CZ-CE3 3.67Å; F468-W513 AromaticContact CZ-CH2 3.84Å; F468-W513 HydrophobicContact CZ-CH2 3.84Å; F468-W513 HydrophobicContact CZ-CZ2 4.45Å; F468-W513 AromaticContact CZ-CZ3 3.43Å; F468-W513 HydrophobicContact CZ-CZ3 3.43Å; F468-W513 VanDerWaalsContact CZ-CZ3 3.43Å; F468-M514 HydrophobicContact CE1-CE 4.13Å; F468-F594 HydrophobicContact CD2-CB 3.89Å; F468-F594 HydrophobicContact CD2-CG 4.39Å; F468-F594 HydrophobicContact CE2-CB 3.81Å; F468-F594 HydrophobicContact CE2-CG 4.44Å; F468-A595 PolarHBondContact N-O 3.46Å; F468-V596 HydrophobicContact CB-CG2 4.48Å; F468-V596 CarbonylContact O-C 3.4Å; F468-V596 WeakPolarHBondContact O-CA 3.43Å; F468-H597 WeakPolarHBondContact O-CB 3.4Å; F468-H597 PolarHBondContact O-N 3.5Å
469E94.7Very high90.5Very high37 Ų3750.1 Ų50.117%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-132143.4174.464.5-171133.500111.1I493 A494 F496 G497 H597E469-I493 WeakPolarHBondContact O-CA 3.46Å; E469-A494 HydrophobicContact CG-CB 4.12Å; E469-A494 PolarHBondContact N-O 2.91Å; E469-A494 PolarHBondContact O-N 3.21Å; E469-F496 HydrophobicContact CB-CB 4.49Å; E469-F496 HydrophobicContact CB-CD2 4.13Å; E469-F496 WeakPolarHBondContact OE1-CA 3.39Å; E469-G497 PolarHBondContact OE1-N 3.41Å; E469-H597 HydrophobicContact CB-CB 4Å
470M91.5Very high90.8Very high13 Ų1347.4 Ų47.46%0.06423%0.233CC..EExtended strand (participates in β ladder)trans-83.8137.2173.5-66.9169.566.800109.8R472 G475 F477 I493 V596 P599M470-R472 VanDerWaalsContact C-N 3.31Å; M470-G475 WeakPolarHBondContact CE-O 3.39Å; M470-F477 HydrophobicContact SD-CD1 4.17Å; M470-F477 HydrophobicContact SD-CE1 3.87Å; M470-F477 HydrophobicContact SD-CZ 4.08Å; M470-I493 HydrophobicContact CG-CD1 4.49Å; M470-I493 HydrophobicContact CG-CG1 4.24Å; M470-V596 HydrophobicContact CG-CG1 3.51Å; M470-V596 HydrophobicContact SD-CG1 3.93Å; M470-P599 HydrophobicContact CB-CG 3.83Å; M470-P599 WeakPolarHBondContact O-CG 3.48Å
471N86.4Confident91.2Very high89 Ų8946 Ų4648%0.47623%0.228SC..SBendtrans-80.7-16.3177.4-67.5-22.7000112.6G491 E492N471-G491 PolarHBondContact ND2-O 2.71Å; N471-E492 PolarHBondContact N-O 3.06Å
472R83.8Confident91.3Very high147 Ų14749.9 Ų49.956%0.55525%0.253SS*.  trans-135.9147.1-175.5-55.5172.356.6136.6-2.6112M470 D474M470-R472 VanDerWaalsContact C-N 3.31Å; R472-D474 VanDerWaalsContact C-N 3.34Å; R472-D474 WeakPolarHBondContact CB-OD1 3.45Å; R472-D474 IonicContact CZ-OD1 3.65Å; R472-D474 IonicContact CZ-OD2 3.42Å; R472-D474 IonicContact NE-OD1 3.67Å; R472-D474 PolarHBondContact NE-OD1 2.7Å; R472-D474 IonicContact NE-OD2 3.75Å; R472-D474 IonicContact NH2-OD1 2.81Å; R472-D474 IonicContact NH2-OD2 2.7Å; R472-D474 PolarHBondContact NH2-OD2 2.86Å
473L77.3Confident91.4Very high118 Ų11853.6 Ų53.662%0.61827%0.269SS*.THydrogen-bonded Turntrans-69.6-28.2179-74.6163.5000113.6P599L473-P599 HydrophobicContact CD2-CB 3.76Å; L473-P599 HydrophobicContact CD2-CG 4.41Å; L473-P599 WeakPolarHBondContact CD2-O 3.33Å; L473-P599 HydrophobicContact CG-CB 4.26Å
474D79.3Confident91.3Very high109 Ų10953.6 Ų53.658%0.58327%0.268SS*.THydrogen-bonded Turntrans-88.2-0.7-176.761.6-24.8000113.8R472R472-D474 VanDerWaalsContact C-N 3.34Å; R472-D474 WeakPolarHBondContact CB-OD1 3.45Å; R472-D474 IonicContact CZ-OD1 3.65Å; R472-D474 IonicContact CZ-OD2 3.42Å; R472-D474 IonicContact NE-OD1 3.67Å; R472-D474 PolarHBondContact NE-OD1 2.7Å; R472-D474 IonicContact NE-OD2 3.75Å; R472-D474 IonicContact NH2-OD1 2.81Å; R472-D474 IonicContact NH2-OD2 2.7Å; R472-D474 PolarHBondContact NH2-OD2 2.86Å
475G76.4Confident91.2Very high27 Ų2755.9 Ų55.928%0.27828%0.279SS..PPolyproline II helixtrans-66.2157.8-179.400000112.7M470M470-G475 WeakPolarHBondContact CE-O 3.39Å
476K84.7Confident91.1Very high181 Ų18159.8 Ų59.879%0.78730%0.297SS*.PPolyproline II helixtrans-98.3139.8172.6-65.6-176.6-179.8-179.50109.9
477F91.5Very high90.9Very high22 Ų2260.4 Ų60.410%0.09630%0.3CS..PPolyproline II helixtrans-62129.7173.9-71.1-83.7000110.6L344 Y348 I439 M470 L479 V596 Y598L344-F477 HydrophobicContact CD1-CE2 4.17Å; L344-F477 HydrophobicContact CD2-CE2 3.61Å; L344-F477 HydrophobicContact CD2-CZ 3.71Å; L344-F477 HydrophobicContact CG-CE2 4.28Å; Y348-F477 HydrophobicContact CE1-CB 3.78Å; Y348-F477 HydrophobicContact CE1-CD2 4.4Å; Y348-F477 HydrophobicContact CE1-CG 4.21Å; Y348-F477 HydrophobicContact CE2-CD2 4.34Å; Y348-F477 AromaticContact CZ-CD2 3.9Å; I439-F477 HydrophobicContact CB-CD1 4.11Å; I439-F477 HydrophobicContact CB-CE1 3.58Å; I439-F477 HydrophobicContact CB-CZ 3.98Å; I439-F477 HydrophobicContact CG1-CE1 3.71Å; I439-F477 HydrophobicContact CG1-CZ 3.63Å; I439-F477 HydrophobicContact CG2-CD1 4.28Å; I439-F477 HydrophobicContact CG2-CE1 4.12Å; I439-F477 HydrophobicContact CG2-CZ 4.38Å; M470-F477 HydrophobicContact SD-CD1 4.17Å; M470-F477 HydrophobicContact SD-CE1 3.87Å; M470-F477 HydrophobicContact SD-CZ 4.08Å; F477-L479 PolarHBondContact O-N 3.3Å; F477-V596 HydrophobicContact CD1-CB 3.88Å; F477-V596 HydrophobicContact CD1-CG1 4.09Å; F477-V596 HydrophobicContact CD1-CG2 4.42Å; F477-V596 HydrophobicContact CE1-CB 3.95Å; F477-V596 HydrophobicContact CE1-CG1 4.01Å; F477-Y598 HydrophobicContact CE2-CD2 4.29Å; F477-Y598 AromaticContact CZ-CD2 3.73Å; F477-Y598 HydrophobicContact CZ-CD2 3.73Å
478P94.2Very high90.8Very high3 Ų363.1 Ų63.12%0.01931%0.311CS..PPolyproline II helixtrans-65.4132.3175.521.3-26.5000110.2K483 L484 L487 I493 F594 V596P478-K483 HydrophobicContact CB-CB 4.21Å; P478-K483 HydrophobicContact CB-CG 4.16Å; P478-L484 HydrophobicContact CB-CB 3.85Å; P478-L484 HydrophobicContact CG-CB 3.96Å; P478-L484 HydrophobicContact CG-CD1 4.13Å; P478-L484 HydrophobicContact CG-CG 4.24Å; P478-L487 HydrophobicContact CB-CD1 4.02Å; P478-L487 HydrophobicContact CG-CD1 4.31Å; P478-I493 HydrophobicContact CG-CD1 3.67Å; P478-F594 HydrophobicContact CB-CE2 4.36Å; P478-F594 HydrophobicContact CB-CZ 4.08Å; P478-F594 HydrophobicContact CG-CE2 3.71Å; P478-F594 HydrophobicContact CG-CZ 3.94Å; P478-F594 WeakPolarHBondContact O-CZ 3.38Å; P478-V596 HydrophobicContact CG-CG2 4.21Å
479L92.5Very high90.7Very high111 Ų11171 Ų7158%0.58135%0.349SS*.SBendtrans-78.5-22.2-177.6-61.9177.5000113.2M441 M442 F477M441-L479 VanDerWaalsContact CE-O 3.3Å; M441-L479 WeakPolarHBondContact CE-O 3.48Å; M442-L479 HydrophobicContact CB-CD2 4.46Å; F477-L479 PolarHBondContact O-N 3.3Å
480N95.2Very high90.7Very high76 Ų7675.6 Ų75.641%0.40637%0.369SS..SBendtrans-158.1175-177.860.940.3000111.2T482 K483 L484N480-T482 PolarHBondContact O-N 3.05Å; N480-T482 PolarHBondContact OD1-N 3.32Å; N480-K483 PolarHBondContact O-N 3.02Å; N480-K483 WeakPolarHBondContact OD1-CB 3.18Å; N480-K483 PolarHBondContact OD1-N 3.1Å; N480-L484 PolarHBondContact O-N 3.08Å
481K96.2Very high90.7Very high23 Ų2377 Ų7710%0.139%0.387CS..Hα-helixtrans-58.4-45.8-177.9-175.8176.9-170.3160.20112.8K483 L484 Q485 W513 A516 P591K481-K483 VanDerWaalsContact C-N 3.31Å; K481-K483 PolarHBondContact O-N 3.22Å; K481-L484 WeakPolarHBondContact O-CB 3.33Å; K481-L484 PolarHBondContact O-N 3.42Å; K481-L484 VanDerWaalsContact O-N 3.13Å; K481-Q485 WeakPolarHBondContact O-CG 3.41Å; K481-Q485 PolarHBondContact O-N 3.45Å; K481-W513 HydrophobicContact CD-CH2 4.44Å; K481-W513 VanDerWaalsContact CE-O 3.29Å; K481-W513 WeakPolarHBondContact CE-O 3.46Å; K481-W513 HydrophobicContact CG-CH2 3.92Å; K481-W513 HydrophobicContact CG-CZ2 4.49Å; K481-W513 HydrophobicContact CG-CZ3 4.24Å; K481-W513 PolarHBondContact NZ-O 3.45Å; K481-A516 PolarHBondContact NZ-O 3.3Å; K481-P591 WeakPolarHBondContact CD-O 3.18Å; K481-P591 PolarHBondContact NZ-O 3.28Å
482T95.9Very high90.9Very high84 Ų8476.6 Ų76.652%0.51538%0.382SS..Hα-helixtrans-56.8-46.9178.2-50.30000111N480 L484 Q485 E486N480-T482 PolarHBondContact O-N 3.05Å; N480-T482 PolarHBondContact OD1-N 3.32Å; T482-L484 VanDerWaalsContact C-N 3.32Å; T482-L484 PolarHBondContact O-N 3.16Å; T482-Q485 PolarHBondContact O-N 2.82Å; T482-E486 PolarHBondContact O-N 3.5Å
483K95.8Very high91.4Very high78 Ų7869.9 Ų69.934%0.33936%0.357SS..Hα-helixtrans-66.5-37179-17155.3177.8-179.30112.4P478 N480 K481 E486 L487P478-K483 HydrophobicContact CB-CB 4.21Å; P478-K483 HydrophobicContact CB-CG 4.16Å; N480-K483 PolarHBondContact O-N 3.02Å; N480-K483 WeakPolarHBondContact OD1-CB 3.18Å; N480-K483 PolarHBondContact OD1-N 3.1Å; K481-K483 VanDerWaalsContact C-N 3.31Å; K481-K483 PolarHBondContact O-N 3.22Å; K483-E486 VanDerWaalsContact CD-OE2 3.26Å; K483-E486 WeakPolarHBondContact CD-OE2 3.24Å; K483-E486 IonicContact NZ-OE2 2.72Å; K483-E486 PolarHBondContact NZ-OE2 3.19Å; K483-E486 PolarHBondContact O-N 2.92Å; K483-L487 HydrophobicContact CG-CD1 4.47Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 3.07Å; K483-L487 VanDerWaalsContact O-N 3.08Å
484L96.3Very high92.1Very high0 Ų065.1 Ų65.10%034%0.335CS..Hα-helixtrans-62.4-44.4174.7-177.1151000111.4F468 P478 N480 K481 T482 E486 L487 Y488 W513 F594F468-L484 HydrophobicContact CB-CD1 4.45Å; F468-L484 HydrophobicContact CD1-CD1 4.31Å; F468-L484 HydrophobicContact CD1-CD2 4.08Å; F468-L484 HydrophobicContact CD2-CD1 3.57Å; F468-L484 HydrophobicContact CD2-CD2 4.49Å; F468-L484 HydrophobicContact CE1-CD2 3.75Å; F468-L484 HydrophobicContact CE2-CD1 3.78Å; F468-L484 HydrophobicContact CE2-CD2 4.17Å; F468-L484 HydrophobicContact CG-CD1 3.84Å; F468-L484 HydrophobicContact CG-CD2 4.44Å; F468-L484 HydrophobicContact CZ-CD1 4.25Å; F468-L484 HydrophobicContact CZ-CD2 3.8Å; P478-L484 HydrophobicContact CB-CB 3.85Å; P478-L484 HydrophobicContact CG-CB 3.96Å; P478-L484 HydrophobicContact CG-CD1 4.13Å; P478-L484 HydrophobicContact CG-CG 4.24Å; N480-L484 PolarHBondContact O-N 3.08Å; K481-L484 WeakPolarHBondContact O-CB 3.33Å; K481-L484 PolarHBondContact O-N 3.42Å; K481-L484 VanDerWaalsContact O-N 3.13Å; T482-L484 VanDerWaalsContact C-N 3.32Å; T482-L484 PolarHBondContact O-N 3.16Å; L484-E486 PolarHBondContact O-N 3.36Å; L484-L487 PolarHBondContact O-N 2.64Å; L484-Y488 VanDerWaalsContact O-CB 3.31Å; L484-Y488 WeakPolarHBondContact O-CB 3.49Å; L484-Y488 PolarHBondContact O-N 3.06Å; L484-W513 HydrophobicContact CD1-CH2 4.37Å; L484-W513 HydrophobicContact CD2-CH2 4.06Å; L484-W513 HydrophobicContact CD2-CZ3 3.78Å; L484-F594 HydrophobicContact CB-CE1 4.19Å; L484-F594 HydrophobicContact CB-CZ 4.1Å; L484-F594 HydrophobicContact CD1-CB 4.31Å; L484-F594 HydrophobicContact CD1-CD1 3.76Å; L484-F594 HydrophobicContact CD1-CD2 3.38Å; L484-F594 HydrophobicContact CD1-CE1 3.86Å; L484-F594 HydrophobicContact CD1-CE2 3.52Å; L484-F594 HydrophobicContact CD1-CG 3.52Å; L484-F594 HydrophobicContact CD1-CZ 3.74Å
485Q96Very high92.8Very high51 Ų5160.5 Ų60.524%0.23831%0.31CS..Hα-helixtrans-60.4-43.6176.6-70.3165.8-37.500111.7K481 T482 L487 Y488 M489 M514K481-Q485 WeakPolarHBondContact O-CG 3.41Å; K481-Q485 PolarHBondContact O-N 3.45Å; T482-Q485 PolarHBondContact O-N 2.82Å; Q485-L487 PolarHBondContact O-N 2.9Å; Q485-Y488 PolarHBondContact O-N 3.06Å; Q485-M489 WeakPolarHBondContact O-CG 3.5Å; Q485-M489 PolarHBondContact O-N 3.18Å; Q485-M514 HydrophobicContact CG-SD 4.06Å; Q485-M514 PolarHBondContact NE2-O 2.66Å
486E95.2Very high93.5Very high83 Ų8361 Ų6139%0.38831%0.305SS..Hα-helixtrans-57.7-47.2174.6-71.8175.8-164.500112.1T482 K483 L484 Y488 M489 K490T482-E486 PolarHBondContact O-N 3.5Å; K483-E486 VanDerWaalsContact CD-OE2 3.26Å; K483-E486 WeakPolarHBondContact CD-OE2 3.24Å; K483-E486 IonicContact NZ-OE2 2.72Å; K483-E486 PolarHBondContact NZ-OE2 3.19Å; K483-E486 PolarHBondContact O-N 2.92Å; L484-E486 PolarHBondContact O-N 3.36Å; E486-Y488 VanDerWaalsContact C-N 3.33Å; E486-M489 PolarHBondContact O-N 2.83Å; E486-K490 WeakPolarHBondContact O-CG 3.09Å; E486-K490 PolarHBondContact O-N 2.91Å; E486-K490 VanDerWaalsContact O-N 3.12Å
487L94.5Very high93.6Very high14 Ų1452.6 Ų52.67%0.07327%0.27CS..Hα-helixtrans-68.2-34.9179.9-67.9177.1000111.9P478 K483 L484 Q485 K490 G491 E492 I493P478-L487 HydrophobicContact CB-CD1 4.02Å; P478-L487 HydrophobicContact CG-CD1 4.31Å; K483-L487 HydrophobicContact CG-CD1 4.47Å; K483-L487 WeakPolarHBondContact O-CG 3.44Å; K483-L487 PolarHBondContact O-N 3.07Å; K483-L487 VanDerWaalsContact O-N 3.08Å; L484-L487 PolarHBondContact O-N 2.64Å; Q485-L487 PolarHBondContact O-N 2.9Å; L487-K490 PolarHBondContact O-N 3.33Å; L487-G491 PolarHBondContact O-N 3.21Å; L487-E492 HydrophobicContact CB-CB 4.4Å; L487-E492 HydrophobicContact CD2-CB 4.3Å; L487-E492 WeakPolarHBondContact CD2-OE2 3.5Å; L487-E492 PolarHBondContact O-N 3.2Å; L487-I493 HydrophobicContact CB-CB 4.27Å; L487-I493 HydrophobicContact CB-CD1 3.95Å; L487-I493 HydrophobicContact CB-CG1 4.1Å; L487-I493 HydrophobicContact CD1-CD1 3.64Å; L487-I493 HydrophobicContact CD1-CG1 4.42Å; L487-I493 HydrophobicContact CG-CD1 4.46Å; L487-I493 PolarHBondContact O-N 3.5Å
488Y93.9Very high93.3Very high60 Ų6055.8 Ų55.824%0.23528%0.281CS..Hα-helixtrans-65.1-45.1174.7178.3-96.1000111.5L484 Q485 E486 K490 G491 I493 I495 R498 M514L484-Y488 VanDerWaalsContact O-CB 3.31Å; L484-Y488 WeakPolarHBondContact O-CB 3.49Å; L484-Y488 PolarHBondContact O-N 3.06Å; Q485-Y488 PolarHBondContact O-N 3.06Å; E486-Y488 VanDerWaalsContact C-N 3.33Å; Y488-K490 VanDerWaalsContact C-N 3.25Å; Y488-K490 PolarHBondContact O-N 3.21Å; Y488-G491 PolarHBondContact O-N 3.4Å; Y488-I493 WeakPolarHBondContact CD2-O 3.44Å; Y488-I495 HydrophobicContact CE2-CG1 4.29Å; Y488-R498 PolarHBondContact OH-NH1 3.04Å; Y488-R498 PolarHBondContact OH-NH2 2.7Å; Y488-M514 HydrophobicContact CD1-CE 3.59Å; Y488-M514 HydrophobicContact CD2-CE 3.98Å; Y488-M514 HydrophobicContact CE1-CE 3.75Å; Y488-M514 HydrophobicContact CE2-CE 4.12Å; Y488-M514 HydrophobicContact CG-CE 3.72Å
489M93.9Very high92.8Very high165 Ų16562.8 Ų62.881%0.81332%0.319SS*.Hα-helixtrans-62.8-31.6175.3-71.6-177.2-177.700112.8Q485 E486 G491Q485-M489 WeakPolarHBondContact O-CG 3.5Å; Q485-M489 PolarHBondContact O-N 3.18Å; E486-M489 PolarHBondContact O-N 2.83Å; M489-G491 VanDerWaalsContact C-N 3.26Å; M489-G491 PolarHBondContact O-N 2.57Å
490K93.2Very high92.4Very high133 Ų13366.5 Ų66.558%0.57833%0.33SS*.THydrogen-bonded Turntrans-78.7-5.7174.8-69.5176.5-176.6-1750114E486 L487 Y488 E492E486-K490 WeakPolarHBondContact O-CG 3.09Å; E486-K490 PolarHBondContact O-N 2.91Å; E486-K490 VanDerWaalsContact O-N 3.12Å; L487-K490 PolarHBondContact O-N 3.33Å; Y488-K490 VanDerWaalsContact C-N 3.25Å; Y488-K490 PolarHBondContact O-N 3.21Å; K490-E492 HydrophobicContact CB-CG 4.12Å; K490-E492 WeakPolarHBondContact CD-OE1 3.49Å; K490-E492 PolarHBondContact O-N 2.75Å
491G91.5Very high91.9Very high44 Ų4467.3 Ų67.345%0.45433%0.328SS..THydrogen-bonded Turntrans69.320.2-175.600000113.9N471 L487 Y488 M489N471-G491 PolarHBondContact ND2-O 2.71Å; L487-G491 PolarHBondContact O-N 3.21Å; Y488-G491 PolarHBondContact O-N 3.4Å; M489-G491 VanDerWaalsContact C-N 3.26Å; M489-G491 PolarHBondContact O-N 2.57Å
492E92Very high91.3Very high80 Ų8070 Ų7037%0.37434%0.343SS..SBendtrans-85.6-25176-66.6-179.9-132.700112N471 L487 K490N471-E492 PolarHBondContact N-O 3.06Å; L487-E492 HydrophobicContact CB-CB 4.4Å; L487-E492 HydrophobicContact CD2-CB 4.3Å; L487-E492 WeakPolarHBondContact CD2-OE2 3.5Å; L487-E492 PolarHBondContact O-N 3.2Å; K490-E492 HydrophobicContact CB-CG 4.12Å; K490-E492 WeakPolarHBondContact CD-OE1 3.49Å; K490-E492 PolarHBondContact O-N 2.75Å
493I93.2Very high90.7Very high5 Ų571.8 Ų71.83%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-127.4144.1176.1-73.2-178.4000109.4F468 E469 M470 P478 L487 Y488F468-I493 HydrophobicContact CB-CG2 3.83Å; F468-I493 HydrophobicContact CD1-CG2 4.13Å; F468-I493 HydrophobicContact CG-CG2 4.32Å; E469-I493 WeakPolarHBondContact O-CA 3.46Å; M470-I493 HydrophobicContact CG-CD1 4.49Å; M470-I493 HydrophobicContact CG-CG1 4.24Å; P478-I493 HydrophobicContact CG-CD1 3.67Å; L487-I493 HydrophobicContact CB-CB 4.27Å; L487-I493 HydrophobicContact CB-CD1 3.95Å; L487-I493 HydrophobicContact CB-CG1 4.1Å; L487-I493 HydrophobicContact CD1-CD1 3.64Å; L487-I493 HydrophobicContact CD1-CG1 4.42Å; L487-I493 HydrophobicContact CG-CD1 4.46Å; L487-I493 PolarHBondContact O-N 3.5Å; Y488-I493 WeakPolarHBondContact CD2-O 3.44Å
494A93.4Very high90.2Very high19 Ų1968 Ų6816%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-125.6167.2175.300000111.4F468 E469F468-A494 CarbonylContact C-O 3.52Å; F468-A494 VanDerWaalsContact CA-O 3.29Å; F468-A494 WeakPolarHBondContact CA-O 3.33Å; F468-A494 WeakPolarHBondContact CB-O 3.4Å; E469-A494 HydrophobicContact CG-CB 4.12Å; E469-A494 PolarHBondContact N-O 2.91Å; E469-A494 PolarHBondContact O-N 3.21Å
495I93.1Very high89.7Confident11 Ų1168.2 Ų68.26%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-68131.8166.8-64.3177000108.1F468 Y488 G497 R498 Y510F468-I495 HydrophobicContact CE1-CG1 4.3Å; Y488-I495 HydrophobicContact CE2-CG1 4.29Å; I495-G497 PolarHBondContact O-N 3.14Å; I495-R498 HydrophobicContact CB-CB 4.29Å; I495-R498 WeakPolarHBondContact O-CB 3.35Å; I495-R498 PolarHBondContact O-N 2.9Å; I495-Y510 HydrophobicContact CD1-CD1 3.93Å; I495-Y510 HydrophobicContact CD1-CD2 3.8Å; I495-Y510 HydrophobicContact CD1-CG 3.42Å; I495-Y510 VanDerWaalsContact CD1-CG 3.42Å; I495-Y510 HydrophobicContact CG1-CD1 3.88Å; I495-Y510 HydrophobicContact CG1-CD2 4.38Å; I495-Y510 HydrophobicContact CG1-CE1 4.36Å; I495-Y510 HydrophobicContact CG1-CG 3.9Å; I495-Y510 HydrophobicContact CG2-CD1 4.13Å; I495-Y510 HydrophobicContact CG2-CD2 3.7Å; I495-Y510 HydrophobicContact CG2-CE1 3.91Å; I495-Y510 HydrophobicContact CG2-CE2 3.46Å; I495-Y510 VanDerWaalsContact CG2-CE2 3.46Å; I495-Y510 HydrophobicContact CG2-CG 4.04Å
496F92.1Very high89.2Confident37 Ų3768.4 Ų68.416%0.16233%0.333CS..THydrogen-bonded Turntrans-60.1128.4-178.8175.4-106000112F438 A467 E469 R498 H505 H597F438-F496 HydrophobicContact CE1-CB 4.47Å; F438-F496 HydrophobicContact CE1-CD1 4.15Å; F438-F496 HydrophobicContact CE1-CD2 4.07Å; F438-F496 HydrophobicContact CE1-CE1 4.46Å; F438-F496 HydrophobicContact CE1-CE2 4.38Å; F438-F496 AromaticContact CE1-CG 3.95Å; F438-F496 HydrophobicContact CE1-CG 3.95Å; F438-F496 HydrophobicContact CE2-CZ 4.41Å; F438-F496 AromaticContact CZ-CD1 3.85Å; F438-F496 HydrophobicContact CZ-CD1 3.85Å; F438-F496 AromaticContact CZ-CD2 3.83Å; F438-F496 HydrophobicContact CZ-CD2 3.83Å; F438-F496 AromaticContact CZ-CE1 3.72Å; F438-F496 HydrophobicContact CZ-CE1 3.72Å; F438-F496 AromaticContact CZ-CE2 3.68Å; F438-F496 HydrophobicContact CZ-CE2 3.68Å; F438-F496 AromaticContact CZ-CG 3.92Å; F438-F496 HydrophobicContact CZ-CG 3.92Å; F438-F496 AromaticContact CZ-CZ 3.63Å; F438-F496 HydrophobicContact CZ-CZ 3.63Å; A467-F496 HydrophobicContact CB-CB 3.82Å; A467-F496 HydrophobicContact CB-CD1 4.27Å; A467-F496 HydrophobicContact CB-CG 4.33Å; A467-F496 WeakPolarHBondContact O-CB 3.32Å; A467-F496 PolarHBondContact O-N 3.08Å; A467-F496 VanDerWaalsContact O-N 3.09Å; E469-F496 HydrophobicContact CB-CB 4.49Å; E469-F496 HydrophobicContact CB-CD2 4.13Å; E469-F496 WeakPolarHBondContact OE1-CA 3.39Å; F496-R498 PolarHBondContact O-N 3.31Å; F496-H505 AromaticContact CD1-CD2 3.8Å; F496-H505 AromaticContact CD1-CE1 3.6Å; F496-H505 AromaticContact CD1-NE2 3.23Å; F496-H505 WeakPolarHBondContact CD1-NE2 3.19Å; F496-H505 AromaticContact CE1-CE1 3.85Å; F496-H505 AromaticContact CE1-NE2 3.29Å; F496-H505 VanDerWaalsContact CE1-NE2 3.29Å; F496-H505 WeakPolarHBondContact CE1-NE2 3.21Å; F496-H505 PolarHBondContact O-CD2 2.7Å; F496-H597 HydrophobicContact CD2-CB 3.84Å; F496-H597 AromaticContact CD2-CG 3.98Å; F496-H597 HydrophobicContact CE2-CB 4.19Å; F496-H597 AromaticContact CE2-CD2 3.55Å; F496-H597 AromaticContact CE2-CG 3.83Å
497G86.8Confident88.8Confident6 Ų665 Ų656%0.06232%0.319CS..THydrogen-bonded Turntrans72.611.9173.100000113.8E469 I495 D499 K500 W501 N502E469-G497 PolarHBondContact OE1-N 3.41Å; I495-G497 PolarHBondContact O-N 3.14Å; G497-D499 VanDerWaalsContact C-N 3.29Å; G497-D499 PolarHBondContact O-N 3.45Å; G497-K500 PolarHBondContact O-N 3.26Å; G497-W501 CarbonylContact O-C 3.48Å; G497-W501 WeakPolarHBondContact O-CA 3.46Å; G497-W501 PolarHBondContact O-N 3.43Å; G497-N502 PolarHBondContact O-N 2.84Å; G497-N502 VanDerWaalsContact O-N 3.1Å
498R84.8Confident88.7Confident88 Ų8864.4 Ų64.433%0.33232%0.316SS..THydrogen-bonded Turntrans-52-46.5179.4176.3-179.8-85.4177.6-10.9112.2Y488 I495 F496 N502Y488-R498 PolarHBondContact OH-NH1 3.04Å; Y488-R498 PolarHBondContact OH-NH2 2.7Å; I495-R498 HydrophobicContact CB-CB 4.29Å; I495-R498 WeakPolarHBondContact O-CB 3.35Å; I495-R498 PolarHBondContact O-N 2.9Å; F496-R498 PolarHBondContact O-N 3.31Å; R498-N502 WeakPolarHBondContact O-CB 3.11Å
499D84.2Confident88.5Confident151 Ų15164.2 Ų64.281%0.80732%0.319SS*.THydrogen-bonded Turntrans-88.1-28.1-174.9-59.8-27.9000113G497G497-D499 VanDerWaalsContact C-N 3.29Å; G497-D499 PolarHBondContact O-N 3.45Å
500K83.9Confident88.5Confident188 Ų18857 Ų5782%0.81728%0.283SS*.THydrogen-bonded Turntrans-98.1-35.6-172.3-65.5177.4-177.1167.30113.6G497G497-K500 PolarHBondContact O-N 3.26Å
501W83.6Confident88.5Confident93 Ų9356.8 Ų56.835%0.35229%0.288SS..  trans-153.555-172.5-169.9-120.3000112.5G497 K503 G504 D540 W563G497-W501 CarbonylContact O-C 3.48Å; G497-W501 WeakPolarHBondContact O-CA 3.46Å; G497-W501 PolarHBondContact O-N 3.43Å; W501-K503 HydrophobicContact CZ2-CB 4.48Å; W501-K503 PolarHBondContact O-N 3.17Å; W501-K503 VanDerWaalsContact O-N 3.13Å; W501-G504 PolarHBondContact O-N 3.19Å; W501-D540 HydrophobicContact CH2-CB 4.35Å; W501-D540 HydrophobicContact CZ2-CB 3.77Å; W501-W563 HydrophobicContact CH2-CH2 4.36Å; W501-W563 HydrophobicContact CZ2-CH2 4.49Å
502N84.8Confident88.6Confident79 Ų7960.5 Ų60.542%0.42229%0.288SS..G310 helixtrans-54.4-37.4-177.8-169.928.5000113.3G497 R498 G504 H505 V506G497-N502 PolarHBondContact O-N 2.84Å; G497-N502 VanDerWaalsContact O-N 3.1Å; R498-N502 WeakPolarHBondContact O-CB 3.11Å; N502-G504 PolarHBondContact O-N 2.75Å; N502-G504 VanDerWaalsContact O-N 3.11Å; N502-H505 PolarHBondContact O-N 2.84Å; N502-V506 WeakPolarHBondContact O-CB 3.18Å; N502-V506 PolarHBondContact O-N 3.45Å
503K83.3Confident88.8Confident122 Ų12256.7 Ų56.753%0.5327%0.27SS..G310 helixtrans-56.7-28.6178.7-64.5-174.7179.8-177.20113.2W501 H505 D540W501-K503 HydrophobicContact CZ2-CB 4.48Å; W501-K503 PolarHBondContact O-N 3.17Å; W501-K503 VanDerWaalsContact O-N 3.13Å; K503-H505 VanDerWaalsContact C-N 3.31Å; K503-H505 PolarHBondContact O-N 2.82Å; K503-D540 HydrophobicContact CB-CB 3.97Å
504G85.1Confident88.9Confident0 Ų057.9 Ų57.90%028%0.276CS..G310 helixtrans-70.8-22.5178.500000115W501 N502 D540 F541 E542W501-G504 PolarHBondContact O-N 3.19Å; N502-G504 PolarHBondContact O-N 2.75Å; N502-G504 VanDerWaalsContact O-N 3.11Å; G504-D540 VanDerWaalsContact CA-O 3.27Å; G504-D540 WeakPolarHBondContact CA-O 3.4Å; G504-F541 WeakPolarHBondContact O-CD2 3.27Å; G504-E542 PolarHBondContact O-N 3.18Å
505H86.2Confident89Confident4 Ų462.3 Ų62.32%0.01930%0.302CS..THydrogen-bonded Turntrans-130.7-14.5-169.4-62.2-70.4000114.3F496 N502 K503 A507 T508 Y510 E542F496-H505 AromaticContact CD1-CD2 3.8Å; F496-H505 AromaticContact CD1-CE1 3.6Å; F496-H505 AromaticContact CD1-NE2 3.23Å; F496-H505 WeakPolarHBondContact CD1-NE2 3.19Å; F496-H505 AromaticContact CE1-CE1 3.85Å; F496-H505 AromaticContact CE1-NE2 3.29Å; F496-H505 VanDerWaalsContact CE1-NE2 3.29Å; F496-H505 WeakPolarHBondContact CE1-NE2 3.21Å; F496-H505 PolarHBondContact O-CD2 2.7Å; N502-H505 PolarHBondContact O-N 2.84Å; K503-H505 VanDerWaalsContact C-N 3.31Å; K503-H505 PolarHBondContact O-N 2.82Å; H505-A507 PolarHBondContact O-N 2.97Å; H505-A507 VanDerWaalsContact O-N 3.13Å; H505-T508 WeakPolarHBondContact O-CB 3.41Å; H505-T508 PolarHBondContact O-N 3.3Å; H505-T508 PolarHBondContact O-OG1 3.39Å; H505-Y510 HydrophobicContact CB-CE2 4.05Å; H505-Y510 WeakPolarHBondContact O-CE2 3.47Å; H505-E542 PolarHBondContact CE1-O 2.9Å
506V85.1Confident89.1Confident54 Ų5462.5 Ų62.533%0.32730%0.304SS..G310 helixtrans-55.1-33.7-176.469.30000113.9N502 T508 D509N502-V506 WeakPolarHBondContact O-CB 3.18Å; N502-V506 PolarHBondContact O-N 3.45Å; V506-T508 PolarHBondContact O-N 2.97Å; V506-D509 PolarHBondContact O-N 3.09Å
507A87Confident89.2Confident12 Ų1267.1 Ų67.110%0.09933%0.331CS..G310 helixtrans-64.9-13179.500000114H505 D509 A522 S523 F524 F541H505-A507 PolarHBondContact O-N 2.97Å; H505-A507 VanDerWaalsContact O-N 3.13Å; A507-D509 PolarHBondContact O-N 3.1Å; A507-A522 WeakPolarHBondContact O-CB 3.4Å; A507-S523 PolarHBondContact O-N 2.85Å; A507-F524 HydrophobicContact CB-CD1 4.1Å; A507-F524 HydrophobicContact CB-CE1 4.19Å; A507-F541 HydrophobicContact CB-CD2 3.81Å; A507-F541 HydrophobicContact CB-CE2 3.8Å; A507-F541 HydrophobicContact CB-CG 4.31Å; A507-F541 HydrophobicContact CB-CZ 4.23Å
508T90.9Very high89.6Confident1 Ų170.4 Ų70.41%0.00635%0.353CS..G310 helixtrans-69.3-21.4173.8-46.80000112.2I464 P466 H505 V506 Y510 Y520 V589I464-T508 HydrophobicContact CG2-CG2 4.46Å; P466-T508 HydrophobicContact CB-CG2 4.15Å; P466-T508 HydrophobicContact CG-CG2 3.89Å; H505-T508 WeakPolarHBondContact O-CB 3.41Å; H505-T508 PolarHBondContact O-N 3.3Å; H505-T508 PolarHBondContact O-OG1 3.39Å; V506-T508 PolarHBondContact O-N 2.97Å; T508-Y510 HydrophobicContact CG2-CD2 4.28Å; T508-Y510 HydrophobicContact CG2-CE1 4.3Å; T508-Y510 HydrophobicContact CG2-CE2 3.92Å; T508-Y520 WeakPolarHBondContact O-CE2 3.27Å; T508-Y520 PolarHBondContact O-OH 3.48Å; T508-V589 HydrophobicContact CG2-CG1 3.73Å; T508-V589 HydrophobicContact CG2-CG2 4.06Å
509D91.3Very high90.2Very high57 Ų5769.3 Ų69.331%0.30536%0.357SS..  trans52.568.9-177.8-172.2-1.5000111.4V506 A507 D511 R512 W513 Y520V506-D509 PolarHBondContact O-N 3.09Å; A507-D509 PolarHBondContact O-N 3.1Å; D509-D511 VanDerWaalsContact C-N 3.27Å; D509-D511 PolarHBondContact O-N 3.29Å; D509-R512 HydrophobicContact CB-CB 4.21Å; D509-R512 WeakPolarHBondContact O-CB 3.33Å; D509-R512 PolarHBondContact O-N 3.34Å; D509-R512 WeakPolarHBondContact OD1-CB 3.3Å; D509-R512 PolarHBondContact OD1-N 2.91Å; D509-R512 VanDerWaalsContact OD2-CB 3.31Å; D509-R512 WeakPolarHBondContact OD2-CB 3.29Å; D509-W513 PolarHBondContact O-N 3.22Å; D509-Y520 HydrophobicContact CB-CE2 4.29Å; D509-Y520 PolarHBondContact O-OH 3.46Å; D509-Y520 VanDerWaalsContact O-OH 3.06Å
510Y93.1Very high90.8Very high14 Ų1462.4 Ų62.46%0.05532%0.32CS..Hα-helixtrans-67-27.1-175.3-75.3-93.1000113.2P466 A467 F468 I495 H505 T508 R512 W513 M514P466-Y510 HydrophobicContact CB-CE1 3.8Å; A467-Y510 PolarHBondContact N-OH 3.45Å; A467-Y510 VanDerWaalsContact N-OH 3.16Å; A467-Y510 PolarHBondContact O-OH 2.87Å; A467-Y510 VanDerWaalsContact O-OH 3.06Å; F468-Y510 HydrophobicContact CE1-CD1 4.04Å; F468-Y510 HydrophobicContact CE1-CE1 4.2Å; F468-Y510 HydrophobicContact CE2-CE1 4.26Å; F468-Y510 AromaticContact CZ-CD1 3.84Å; F468-Y510 HydrophobicContact CZ-CD1 3.84Å; F468-Y510 AromaticContact CZ-CE1 3.93Å; F468-Y510 HydrophobicContact CZ-CE1 3.93Å; I495-Y510 HydrophobicContact CD1-CD1 3.93Å; I495-Y510 HydrophobicContact CD1-CD2 3.8Å; I495-Y510 HydrophobicContact CD1-CG 3.42Å; I495-Y510 VanDerWaalsContact CD1-CG 3.42Å; I495-Y510 HydrophobicContact CG1-CD1 3.88Å; I495-Y510 HydrophobicContact CG1-CD2 4.38Å; I495-Y510 HydrophobicContact CG1-CE1 4.36Å; I495-Y510 HydrophobicContact CG1-CG 3.9Å; I495-Y510 HydrophobicContact CG2-CD1 4.13Å; I495-Y510 HydrophobicContact CG2-CD2 3.7Å; I495-Y510 HydrophobicContact CG2-CE1 3.91Å; I495-Y510 HydrophobicContact CG2-CE2 3.46Å; I495-Y510 VanDerWaalsContact CG2-CE2 3.46Å; I495-Y510 HydrophobicContact CG2-CG 4.04Å; H505-Y510 HydrophobicContact CB-CE2 4.05Å; H505-Y510 WeakPolarHBondContact O-CE2 3.47Å; T508-Y510 HydrophobicContact CG2-CD2 4.28Å; T508-Y510 HydrophobicContact CG2-CE1 4.3Å; T508-Y510 HydrophobicContact CG2-CE2 3.92Å; Y510-R512 VanDerWaalsContact C-N 3.32Å; Y510-W513 WeakPolarHBondContact O-CB 3.39Å; Y510-W513 PolarHBondContact O-N 3.41Å; Y510-W513 VanDerWaalsContact O-N 3.15Å; Y510-M514 WeakPolarHBondContact O-CG 3.36Å; Y510-M514 PolarHBondContact O-N 3.07Å
511D92.4Very high91.2Very high127 Ų12758.7 Ų58.768%0.67930%0.304SS*.Hα-helixtrans-63.6-43.6174.6-65.4-29.1000109.8D509 M514D509-D511 VanDerWaalsContact C-N 3.27Å; D509-D511 PolarHBondContact O-N 3.29Å; D511-M514 PolarHBondContact O-N 3.2Å
512R94.6Very high91.4Very high123 Ų12354.4 Ų54.446%0.46429%0.288SS..Hα-helixtrans-64.6-39.6169.5-176.2175.9-177.8173.84.1112.4D509 Y510 M514 T515 A516 Y520D509-R512 HydrophobicContact CB-CB 4.21Å; D509-R512 WeakPolarHBondContact O-CB 3.33Å; D509-R512 PolarHBondContact O-N 3.34Å; D509-R512 WeakPolarHBondContact OD1-CB 3.3Å; D509-R512 PolarHBondContact OD1-N 2.91Å; D509-R512 VanDerWaalsContact OD2-CB 3.31Å; D509-R512 WeakPolarHBondContact OD2-CB 3.29Å; Y510-R512 VanDerWaalsContact C-N 3.32Å; R512-M514 VanDerWaalsContact C-N 3.25Å; R512-M514 PolarHBondContact O-N 3.43Å; R512-T515 PolarHBondContact O-N 2.89Å; R512-A516 VanDerWaalsContact O-CB 3.25Å; R512-A516 WeakPolarHBondContact O-CB 3.36Å; R512-A516 PolarHBondContact O-N 3.09Å; R512-Y520 HydrophobicContact CB-CE2 4.45Å; R512-Y520 HydrophobicContact CG-CD1 4.43Å; R512-Y520 HydrophobicContact CG-CD2 4.37Å; R512-Y520 HydrophobicContact CG-CE1 4.28Å; R512-Y520 HydrophobicContact CG-CE2 4.2Å; R512-Y520 HydrophobicContact CG-CG 4.48Å; R512-Y520 VanDerWaalsContact CZ-CB 3.45Å
513W96.1Very high90.9Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-57.2-40.7178.9-171.879.8000112.1P466 F468 K481 L484 D509 Y510 T515 A516 Y520 L590 P591 F594P466-W513 HydrophobicContact CG-CG 4.25Å; F468-W513 HydrophobicContact CE1-CZ3 4.41Å; F468-W513 HydrophobicContact CE2-CE3 4.32Å; F468-W513 AromaticContact CE2-CH2 3.8Å; F468-W513 HydrophobicContact CE2-CH2 3.8Å; F468-W513 HydrophobicContact CE2-CZ2 4.17Å; F468-W513 AromaticContact CE2-CZ3 3.91Å; F468-W513 HydrophobicContact CE2-CZ3 3.91Å; F468-W513 HydrophobicContact CZ-CD2 4.28Å; F468-W513 AromaticContact CZ-CE3 3.67Å; F468-W513 HydrophobicContact CZ-CE3 3.67Å; F468-W513 AromaticContact CZ-CH2 3.84Å; F468-W513 HydrophobicContact CZ-CH2 3.84Å; F468-W513 HydrophobicContact CZ-CZ2 4.45Å; F468-W513 AromaticContact CZ-CZ3 3.43Å; F468-W513 HydrophobicContact CZ-CZ3 3.43Å; F468-W513 VanDerWaalsContact CZ-CZ3 3.43Å; K481-W513 HydrophobicContact CD-CH2 4.44Å; K481-W513 VanDerWaalsContact CE-O 3.29Å; K481-W513 WeakPolarHBondContact CE-O 3.46Å; K481-W513 HydrophobicContact CG-CH2 3.92Å; K481-W513 HydrophobicContact CG-CZ2 4.49Å; K481-W513 HydrophobicContact CG-CZ3 4.24Å; K481-W513 PolarHBondContact NZ-O 3.45Å; L484-W513 HydrophobicContact CD1-CH2 4.37Å; L484-W513 HydrophobicContact CD2-CH2 4.06Å; L484-W513 HydrophobicContact CD2-CZ3 3.78Å; D509-W513 PolarHBondContact O-N 3.22Å; Y510-W513 WeakPolarHBondContact O-CB 3.39Å; Y510-W513 PolarHBondContact O-N 3.41Å; Y510-W513 VanDerWaalsContact O-N 3.15Å; W513-T515 PolarHBondContact O-N 3.35Å; W513-T515 VanDerWaalsContact O-N 3.13Å; W513-A516 PolarHBondContact O-N 2.94Å; W513-Y520 VanDerWaalsContact CA-OH 3.3Å; W513-Y520 WeakPolarHBondContact CA-OH 3.47Å; W513-Y520 WeakPolarHBondContact CB-OH 3.47Å; W513-Y520 PolarHBondContact N-OH 2.89Å; W513-L590 PolarHBondContact NE1-O 3.06Å; W513-P591 WeakPolarHBondContact CZ2-O 3.43Å; W513-P591 PolarHBondContact NE1-O 3.17Å; W513-F594 HydrophobicContact CH2-CB 4.37Å; W513-F594 AromaticContact CH2-CD1 3.95Å; W513-F594 HydrophobicContact CH2-CD1 3.95Å; W513-F594 HydrophobicContact CH2-CG 4.45Å; W513-F594 HydrophobicContact CZ2-CB 4.07Å; W513-F594 HydrophobicContact CZ2-CD1 4.05Å; W513-F594 HydrophobicContact CZ2-CG 4.49Å
514M94.8Very high90Very high29 Ų2949.7 Ų49.714%0.14327%0.271CS..Hα-helixtrans-56.5-30.6-178.1-71.9-63.5-179.800112.5F468 Q485 Y488 Y510 D511 R512F468-M514 HydrophobicContact CE1-CE 4.13Å; Q485-M514 HydrophobicContact CG-SD 4.06Å; Q485-M514 PolarHBondContact NE2-O 2.66Å; Y488-M514 HydrophobicContact CD1-CE 3.59Å; Y488-M514 HydrophobicContact CD2-CE 3.98Å; Y488-M514 HydrophobicContact CE1-CE 3.75Å; Y488-M514 HydrophobicContact CE2-CE 4.12Å; Y488-M514 HydrophobicContact CG-CE 3.72Å; Y510-M514 WeakPolarHBondContact O-CG 3.36Å; Y510-M514 PolarHBondContact O-N 3.07Å; D511-M514 PolarHBondContact O-N 3.2Å; R512-M514 VanDerWaalsContact C-N 3.25Å; R512-M514 PolarHBondContact O-N 3.43Å
515T95.1Very high88.2Confident113 Ų11356.7 Ų56.769%0.69331%0.308SS*.Hα-helixtrans-116.9-4.6-177.562.10000114.5R512 W513R512-T515 PolarHBondContact O-N 2.89Å; W513-T515 PolarHBondContact O-N 3.35Å; W513-T515 VanDerWaalsContact O-N 3.13Å
516A96.3Very high86Confident14 Ų1460 Ų6012%0.11634%0.336CS..  trans-74.1139.4-179.200000112.2K481 R512 W513 Y520 P591K481-A516 PolarHBondContact NZ-O 3.3Å; R512-A516 VanDerWaalsContact O-CB 3.25Å; R512-A516 WeakPolarHBondContact O-CB 3.36Å; R512-A516 PolarHBondContact O-N 3.09Å; W513-A516 PolarHBondContact O-N 2.94Å; A516-Y520 HydrophobicContact CB-CD1 3.8Å; A516-Y520 HydrophobicContact CB-CE1 3.7Å; A516-P591 HydrophobicContact CB-CB 4.13Å; A516-P591 WeakPolarHBondContact O-CB 3.39Å
517D94.6Very high83.8Confident134 Ų13465.2 Ų65.272%0.71735%0.351SS*.  trans-111.2-13.9174.2-63.2-41.8000113.2
518S95.7Very high81.3Confident76 Ų7669.1 Ų69.153%0.53138%0.378SS..SBendtrans-121.7152177.864.70000111.7
519P96.8Very high78.9Confident64 Ų6475.8 Ų75.842%0.41642%0.418SS..  trans-52.6142.2171.6-25.534.8000112.2V589 L590P519-V589 WeakPolarHBondContact CA-O 3.5Å; P519-L590 HydrophobicContact CB-CD2 4.3Å; P519-L590 HydrophobicContact CG-CD2 4.04Å
520Y96Very high76.3Confident6 Ų675.3 Ų75.32%0.02442%0.419CS..EExtended strand (participates in β ladder)trans-138.5149178.760.5-89.4000111.3T508 D509 R512 W513 A516 A522 Y588 V589T508-Y520 WeakPolarHBondContact O-CE2 3.27Å; T508-Y520 PolarHBondContact O-OH 3.48Å; D509-Y520 HydrophobicContact CB-CE2 4.29Å; D509-Y520 PolarHBondContact O-OH 3.46Å; D509-Y520 VanDerWaalsContact O-OH 3.06Å; R512-Y520 HydrophobicContact CB-CE2 4.45Å; R512-Y520 HydrophobicContact CG-CD1 4.43Å; R512-Y520 HydrophobicContact CG-CD2 4.37Å; R512-Y520 HydrophobicContact CG-CE1 4.28Å; R512-Y520 HydrophobicContact CG-CE2 4.2Å; R512-Y520 HydrophobicContact CG-CG 4.48Å; R512-Y520 VanDerWaalsContact CZ-CB 3.45Å; W513-Y520 VanDerWaalsContact CA-OH 3.3Å; W513-Y520 WeakPolarHBondContact CA-OH 3.47Å; W513-Y520 WeakPolarHBondContact CB-OH 3.47Å; W513-Y520 PolarHBondContact N-OH 2.89Å; A516-Y520 HydrophobicContact CB-CD1 3.8Å; A516-Y520 HydrophobicContact CB-CE1 3.7Å; Y520-A522 PolarHBondContact O-N 2.81Å; Y520-Y588 CarbonylContact O-C 3.51Å; Y520-Y588 VanDerWaalsContact O-CA 3.31Å; Y520-Y588 WeakPolarHBondContact O-CA 3.46Å; Y520-V589 HydrophobicContact CD1-CB 4.44Å; Y520-V589 HydrophobicContact CD2-CB 4.17Å; Y520-V589 HydrophobicContact CD2-CG2 4.37Å; Y520-V589 HydrophobicContact CE1-CB 3.96Å; Y520-V589 HydrophobicContact CE1-CG1 4.1Å; Y520-V589 HydrophobicContact CE2-CB 3.67Å; Y520-V589 HydrophobicContact CE2-CG1 4.24Å; Y520-V589 HydrophobicContact CE2-CG2 3.8Å; Y520-V589 PolarHBondContact N-O 3.37Å; Y520-V589 PolarHBondContact O-N 2.87Å; Y520-V589 WeakPolarHBondContact OH-CG1 3.43Å
521K92.4Very high73.6Confident111 Ų11186.4 Ų86.448%0.48346%0.461SS..EExtended strand (participates in β ladder)trans-69.1131.2-179.3-172.3171.6171.2174.40110.3S523 F587 Y588K521-S523 PolarHBondContact O-N 3.39Å; K521-F587 CarbonylContact C-O 3.5Å; K521-F587 WeakPolarHBondContact CA-O 3.5Å; K521-Y588 HydrophobicContact CB-CD1 4.22Å; K521-Y588 HydrophobicContact CB-CE1 4.04Å
522A87.7Confident71.1Confident3 Ų389.6 Ų89.63%0.02547%0.469CS..  trans-60.1133.7171.900000109.9I464 A507 Y520 F524 F587 V589I464-A522 HydrophobicContact CD1-CB 3.89Å; A507-A522 WeakPolarHBondContact O-CB 3.4Å; Y520-A522 PolarHBondContact O-N 2.81Å; A522-F524 HydrophobicContact CB-CE2 4.05Å; A522-F524 HydrophobicContact CB-CZ 4.26Å; A522-F587 HydrophobicContact CB-CB 4.06Å; A522-F587 PolarHBondContact N-O 3.45Å; A522-V589 HydrophobicContact CB-CG2 4.08Å
523S73.5Confident68.4Low60 Ų6088.4 Ų88.442%0.4248%0.476SS..  trans-97.2107.6-177.4-173.80000110.3A507 K521A507-S523 PolarHBondContact O-N 2.85Å; K521-S523 PolarHBondContact O-N 3.39Å
524F65.3Low65.7Low41 Ų4194.1 Ų94.118%0.1852%0.515CS..  trans-87.3-4.6177.8-65.1-80.9000113.5A507 A522 A526 F537 F541 F587A507-F524 HydrophobicContact CB-CD1 4.1Å; A507-F524 HydrophobicContact CB-CE1 4.19Å; A522-F524 HydrophobicContact CB-CE2 4.05Å; A522-F524 HydrophobicContact CB-CZ 4.26Å; F524-A526 VanDerWaalsContact C-N 3.29Å; F524-A526 PolarHBondContact O-N 2.64Å; F524-F537 HydrophobicContact CB-CD1 4Å; F524-F537 WeakPolarHBondContact CB-O 3.27Å; F524-F537 WeakPolarHBondContact CD1-O 3.46Å; F524-F541 HydrophobicContact CE1-CB 4.27Å; F524-F541 AromaticContact CE1-CD1 3.41Å; F524-F541 HydrophobicContact CE1-CD1 3.41Å; F524-F541 VanDerWaalsContact CE1-CD1 3.41Å; F524-F541 AromaticContact CE1-CE1 3.86Å; F524-F541 HydrophobicContact CE1-CE1 3.86Å; F524-F541 AromaticContact CE1-CG 3.94Å; F524-F541 HydrophobicContact CE1-CG 3.94Å; F524-F541 AromaticContact CZ-CD1 3.8Å; F524-F541 HydrophobicContact CZ-CD1 3.8Å; F524-F541 AromaticContact CZ-CE1 3.85Å; F524-F541 HydrophobicContact CZ-CE1 3.85Å; F524-F587 HydrophobicContact CE2-CB 4.02Å; F524-F587 AromaticContact CE2-CD2 3.81Å; F524-F587 HydrophobicContact CE2-CD2 3.81Å; F524-F587 HydrophobicContact CE2-CG 4.15Å; F524-F587 HydrophobicContact CZ-CB 4.06Å; F524-F587 AromaticContact CZ-CD2 3.75Å; F524-F587 HydrophobicContact CZ-CD2 3.75Å; F524-F587 HydrophobicContact CZ-CE2 4.37Å; F524-F587 AromaticContact CZ-CG 3.9Å; F524-F587 HydrophobicContact CZ-CG 3.9Å
525L47.7Very low63.2Low148 Ų14894.5 Ų94.578%0.77552%0.523SS*.G310 helixtrans-74.6-7.2-168.3-78.5167.4000115.3Y527L525-Y527 VanDerWaalsContact C-N 3.32Å; L525-Y527 PolarHBondContact O-N 3.38Å
526A39.4Very low60.9Low73 Ų7392.2 Ų92.260%0.60351%0.507SS*.G310 helixtrans-76-9.3-172.800000115.4F524F524-A526 VanDerWaalsContact C-N 3.29Å; F524-A526 PolarHBondContact O-N 2.64Å
527Y38.6Very low58.7Low164 Ų16496.8 Ų96.864%0.64352%0.524SS*.G310 helixtrans-143.262.8-176.6-73.8-82.2000114L525L525-Y527 VanDerWaalsContact C-N 3.32Å; L525-Y527 PolarHBondContact O-N 3.38Å
528S35.8Very low56.9Low94 Ų9490.7 Ų90.766%0.65749%0.492SS*.  trans-98.496.3155.7-178.20000109S530S528-S530 VanDerWaalsContact C-N 3.28Å; S528-S530 PolarHBondContact OG-O 3.42Å
529V40.9Very low55.7Low141 Ų14191.1 Ų91.186%0.85549%0.486SS*.  trans-87.3-0.7175.3-166.10000111.3
530S36Very low55.1Low46 Ų4689.9 Ų89.932%0.32248%0.476SS..  trans-134.2112.9-179.5175.30000111.7S528 F532 T533S528-S530 VanDerWaalsContact C-N 3.28Å; S528-S530 PolarHBondContact OG-O 3.42Å; S530-F532 PolarHBondContact O-N 2.87Å; S530-F532 VanDerWaalsContact O-N 3.1Å; S530-F532 PolarHBondContact OG-N 2.7Å; S530-T533 PolarHBondContact O-N 2.92Å
531R37.1Very low54.7Low247 Ų24790 Ų9093%0.93248%0.477SS*.THydrogen-bonded Turntrans-58.6-13.3166.9-96.3-176.4174.7166.8-1.3113.6
532F39.3Very low54.6Low195 Ų19586 Ų8686%0.85546%0.46SS*.THydrogen-bonded Turntrans-103.10.6-174.4-77.2-79.8000114.7S530S530-F532 PolarHBondContact O-N 2.87Å; S530-F532 VanDerWaalsContact O-N 3.1Å; S530-F532 PolarHBondContact OG-N 2.7Å
533T38.4Very low54.9Low98 Ų9886.2 Ų86.260%0.60146%0.461SS*.  trans-123.981.3171.150.80000109.7S530 A535S530-T533 PolarHBondContact O-N 2.92Å; T533-A535 PolarHBondContact O-N 2.84Å; T533-A535 VanDerWaalsContact O-N 3.13Å
534S38.7Very low56Low119 Ų11983.5 Ų83.583%0.83244%0.442SS*.THydrogen-bonded Turntrans-75.718.9-17752.90000115.7
535A43Very low57.5Low37 Ų3781.8 Ų81.831%0.30643%0.434SS..THydrogen-bonded Turntrans-148.516.2-161.300000120.1T533 R634T533-A535 PolarHBondContact O-N 2.84Å; T533-A535 VanDerWaalsContact O-N 3.13Å; A535-R634 PolarHBondContact O-NH1 3.34Å
536L45.6Very low59.9Low66 Ų6674.8 Ų74.835%0.34640%0.397SS..  trans-132.290.2172.4-68.5170000110.9S538 M539 M627L536-S538 VanDerWaalsContact C-N 3.26Å; L536-S538 PolarHBondContact O-N 3.15Å; L536-M539 HydrophobicContact CB-CG 3.83Å; L536-M539 HydrophobicContact CB-SD 4.39Å; L536-M539 HydrophobicContact CD1-CG 4.48Å; L536-M539 HydrophobicContact CD1-SD 4.33Å; L536-M627 HydrophobicContact CD1-CE 3.36Å
537F50.4Low62.7Low110 Ų11071.3 Ų71.348%0.48237%0.369SS..THydrogen-bonded Turntrans-66.9-16-172.4-91.6-105.5000114.2F524F524-F537 HydrophobicContact CB-CD1 4Å; F524-F537 WeakPolarHBondContact CB-O 3.27Å; F524-F537 WeakPolarHBondContact CD1-O 3.46Å
538S58Low65.5Low5 Ų565.3 Ų65.34%0.03535%0.351CS..THydrogen-bonded Turntrans-139.829.2-161.661.30000116L536 D540 F541L536-S538 VanDerWaalsContact C-N 3.26Å; L536-S538 PolarHBondContact O-N 3.15Å; S538-D540 PolarHBondContact O-N 2.99Å; S538-F541 PolarHBondContact O-N 3.42Å; S538-F541 VanDerWaalsContact O-N 3.13Å
539M70Confident68.4Low86 Ų8662.4 Ų62.442%0.42433%0.329SS..THydrogen-bonded Turntrans-58.3-19.4-163.8-73.7-160.4-58.400117.6L536 V566 M570 K623 M627L536-M539 HydrophobicContact CB-CG 3.83Å; L536-M539 HydrophobicContact CB-SD 4.39Å; L536-M539 HydrophobicContact CD1-CG 4.48Å; L536-M539 HydrophobicContact CD1-SD 4.33Å; M539-V566 VanDerWaalsContact O-CG1 3.22Å; M539-V566 WeakPolarHBondContact O-CG1 3.5Å; M539-M570 VanDerWaalsContact CA-CE 3.47Å; M539-M570 HydrophobicContact CB-CE 4Å; M539-M570 HydrophobicContact CG-CE 4.17Å; M539-M570 WeakPolarHBondContact O-CE 3.3Å; M539-K623 PolarHBondContact O-NZ 2.99Å; M539-M627 HydrophobicContact SD-CE 4.13Å
540D84.2Confident70.8Confident38 Ų3862.9 Ų62.920%0.20333%0.327CS..THydrogen-bonded Turntrans-127.9-4.1-179.4-65.2-33000112.7W501 K503 G504 S538 W563 K623W501-D540 HydrophobicContact CH2-CB 4.35Å; W501-D540 HydrophobicContact CZ2-CB 3.77Å; K503-D540 HydrophobicContact CB-CB 3.97Å; G504-D540 VanDerWaalsContact CA-O 3.27Å; G504-D540 WeakPolarHBondContact CA-O 3.4Å; S538-D540 PolarHBondContact O-N 2.99Å; D540-W563 WeakPolarHBondContact OD1-CH2 3.36Å; D540-W563 WeakPolarHBondContact OD1-CZ3 3.45Å; D540-K623 IonicContact OD1-NZ 3.2Å; D540-K623 PolarHBondContact OD1-NZ 3.37Å
541F87.5Confident73.6Confident7 Ų761.3 Ų61.33%0.03132%0.315CS..  trans-70.9131.3-171.2-172.2-133.3000111.8I464 G504 A507 F524 S538 P543 V569I464-F541 HydrophobicContact CD1-CE1 3.85Å; I464-F541 HydrophobicContact CD1-CZ 3.75Å; G504-F541 WeakPolarHBondContact O-CD2 3.27Å; A507-F541 HydrophobicContact CB-CD2 3.81Å; A507-F541 HydrophobicContact CB-CE2 3.8Å; A507-F541 HydrophobicContact CB-CG 4.31Å; A507-F541 HydrophobicContact CB-CZ 4.23Å; F524-F541 HydrophobicContact CE1-CB 4.27Å; F524-F541 AromaticContact CE1-CD1 3.41Å; F524-F541 HydrophobicContact CE1-CD1 3.41Å; F524-F541 VanDerWaalsContact CE1-CD1 3.41Å; F524-F541 AromaticContact CE1-CE1 3.86Å; F524-F541 HydrophobicContact CE1-CE1 3.86Å; F524-F541 AromaticContact CE1-CG 3.94Å; F524-F541 HydrophobicContact CE1-CG 3.94Å; F524-F541 AromaticContact CZ-CD1 3.8Å; F524-F541 HydrophobicContact CZ-CD1 3.8Å; F524-F541 AromaticContact CZ-CE1 3.85Å; F524-F541 HydrophobicContact CZ-CE1 3.85Å; S538-F541 PolarHBondContact O-N 3.42Å; S538-F541 VanDerWaalsContact O-N 3.13Å; F541-P543 VanDerWaalsContact C-CD 3.45Å; F541-P543 HydrophobicContact CD1-CB 4.4Å; F541-P543 VanDerWaalsContact CD1-CD 3.43Å; F541-P543 HydrophobicContact CD1-CG 3.65Å; F541-P543 HydrophobicContact CE1-CB 3.71Å; F541-P543 HydrophobicContact CE1-CG 3.33Å; F541-P543 HydrophobicContact CE2-CB 4.15Å; F541-P543 HydrophobicContact CE2-CG 4.37Å; F541-P543 HydrophobicContact CG-CG 4.35Å; F541-P543 HydrophobicContact CZ-CB 3.54Å; F541-P543 HydrophobicContact CZ-CG 3.72Å; F541-V569 HydrophobicContact CD1-CG1 4.23Å
542E90.7Very high76.3Confident29 Ų2951.2 Ų51.214%0.13628%0.282CS..  trans-133.956-171.4-157.4172.7-169.500113G504 H505 K565 V566G504-E542 PolarHBondContact O-N 3.18Å; H505-E542 PolarHBondContact CE1-O 2.9Å; E542-K565 VanDerWaalsContact CD-CE 3.45Å; E542-K565 HydrophobicContact CG-CB 3.59Å; E542-K565 HydrophobicContact CG-CD 4.24Å; E542-K565 WeakPolarHBondContact OE1-CE 3.46Å; E542-K565 IonicContact OE1-NZ 3.48Å; E542-V566 HydrophobicContact CB-CG2 3.93Å; E542-V566 HydrophobicContact CG-CG2 4.01Å
543P92.8Very high79Confident7 Ų744.6 Ų44.65%0.04526%0.264CS..  trans-71.4162.5179.732.2-37.4000113.5I464 F541 F545 V569I464-P543 HydrophobicContact CD1-CB 4.44Å; I464-P543 HydrophobicContact CG1-CB 4.04Å; I464-P543 HydrophobicContact CG2-CB 4.09Å; F541-P543 VanDerWaalsContact C-CD 3.45Å; F541-P543 HydrophobicContact CD1-CB 4.4Å; F541-P543 VanDerWaalsContact CD1-CD 3.43Å; F541-P543 HydrophobicContact CD1-CG 3.65Å; F541-P543 HydrophobicContact CE1-CB 3.71Å; F541-P543 HydrophobicContact CE1-CG 3.33Å; F541-P543 HydrophobicContact CE2-CB 4.15Å; F541-P543 HydrophobicContact CE2-CG 4.37Å; F541-P543 HydrophobicContact CG-CG 4.35Å; F541-P543 HydrophobicContact CZ-CB 3.54Å; F541-P543 HydrophobicContact CZ-CG 3.72Å; P543-F545 HydrophobicContact CB-CD1 4.04Å; P543-F545 HydrophobicContact CG-CD1 3.64Å; P543-F545 HydrophobicContact CG-CE1 3.94Å; P543-V569 HydrophobicContact CG-CG2 4.01Å
544Y96.8Very high81.8Confident3 Ų340.6 Ų40.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-102.9135.1157.9-53.4-73.2000108.6D435 F438 I464 V465 A467 K565D435-Y544 HydrophobicContact CB-CE1 4.13Å; F438-Y544 HydrophobicContact CD1-CD2 4.27Å; F438-Y544 AromaticContact CD1-CE2 3.8Å; F438-Y544 HydrophobicContact CD1-CE2 3.8Å; F438-Y544 HydrophobicContact CD2-CE1 4.1Å; F438-Y544 HydrophobicContact CD2-CE2 4Å; F438-Y544 AromaticContact CD2-CZ 3.62Å; F438-Y544 HydrophobicContact CE1-CD2 4.28Å; F438-Y544 AromaticContact CE1-CE2 3.46Å; F438-Y544 HydrophobicContact CE1-CE2 3.46Å; F438-Y544 VanDerWaalsContact CE1-CE2 3.46Å; F438-Y544 AromaticContact CE1-CZ 3.97Å; F438-Y544 HydrophobicContact CE2-CE1 4.1Å; F438-Y544 AromaticContact CE2-CE2 3.7Å; F438-Y544 HydrophobicContact CE2-CE2 3.7Å; F438-Y544 AromaticContact CE2-CZ 3.26Å; F438-Y544 WeakPolarHBondContact CE2-OH 3.42Å; F438-Y544 HydrophobicContact CG-CE2 4.06Å; F438-Y544 AromaticContact CZ-CE2 3.39Å; F438-Y544 HydrophobicContact CZ-CE2 3.39Å; F438-Y544 AromaticContact CZ-CZ 3.45Å; F438-Y544 VanDerWaalsContact CZ-CZ 3.45Å; F438-Y544 WeakPolarHBondContact CZ-OH 3.14Å; I464-Y544 WeakPolarHBondContact CA-O 3.36Å; V465-Y544 PolarHBondContact N-O 2.81Å; A467-Y544 HydrophobicContact CB-CD2 3.89Å; A467-Y544 HydrophobicContact CB-CE2 3.88Å; Y544-K565 HydrophobicContact CE1-CD 4.03Å; Y544-K565 PolarHBondContact OH-NZ 3.28Å
545F97.2Very high84.6Confident4 Ų436.9 Ų36.92%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-155157.8-169.455.8-96.2000113.7L433 A462 L463 I464 P543 V547 H568 V569 L572L433-F545 HydrophobicContact CD1-CE2 3.81Å; L433-F545 HydrophobicContact CD1-CZ 4.16Å; L433-F545 PolarHBondContact N-O 2.99Å; A462-F545 HydrophobicContact CB-CB 4.33Å; A462-F545 HydrophobicContact CB-CD2 4.05Å; A462-F545 HydrophobicContact CB-CG 4.24Å; L463-F545 CarbonylContact O-C 3.52Å; L463-F545 WeakPolarHBondContact O-CA 3.37Å; L463-F545 WeakPolarHBondContact O-CB 3.23Å; I464-F545 HydrophobicContact CG1-CB 4.32Å; P543-F545 HydrophobicContact CB-CD1 4.04Å; P543-F545 HydrophobicContact CG-CD1 3.64Å; P543-F545 HydrophobicContact CG-CE1 3.94Å; F545-V547 HydrophobicContact CD2-CB 4.25Å; F545-V547 HydrophobicContact CD2-CG1 3.47Å; F545-V547 VanDerWaalsContact CD2-CG1 3.47Å; F545-V547 HydrophobicContact CD2-CG2 3.92Å; F545-V547 HydrophobicContact CE2-CB 4.32Å; F545-V547 HydrophobicContact CE2-CG1 3.61Å; F545-V547 HydrophobicContact CE2-CG2 3.75Å; F545-H568 AromaticContact CZ-ND1 3.81Å; F545-V569 HydrophobicContact CE1-CG2 4.05Å; F545-L572 HydrophobicContact CE2-CD1 4.06Å; F545-L572 HydrophobicContact CZ-CD1 3.95Å
546V98.5Very high87.1Confident1 Ų137.6 Ų37.61%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-96132.1170.1-1780000110.2V328 F430 V431 F432 L448 I452 M458 A462 L463V328-V546 HydrophobicContact CG2-CG1 3.9Å; V328-V546 HydrophobicContact CG2-CG2 4.36Å; F430-V546 HydrophobicContact CB-CG1 4.25Å; V431-V546 CarbonylContact O-C 3.04Å; V431-V546 WeakPolarHBondContact O-CA 3.46Å; F432-V546 HydrophobicContact CB-CG2 3.9Å; F432-V546 HydrophobicContact CD2-CG2 3.9Å; F432-V546 HydrophobicContact CG-CG2 4.08Å; L448-V546 HydrophobicContact CD1-CG2 3.83Å; L448-V546 HydrophobicContact CD2-CG2 3.73Å; L448-V546 HydrophobicContact CG-CG2 4.21Å; I452-V546 HydrophobicContact CD1-CG1 3.91Å; I452-V546 HydrophobicContact CG1-CG1 4.17Å; M458-V546 HydrophobicContact CE-CG1 4.37Å; A462-V546 CarbonylContact C-O 3.57Å; A462-V546 WeakPolarHBondContact CA-O 3.43Å; L463-V546 HydrophobicContact CB-CB 4.26Å; L463-V546 PolarHBondContact N-O 3.46Å; L463-V546 PolarHBondContact O-N 3.44Å
547V97.5Very high89.4Confident1 Ų137.1 Ų37.11%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-141.6168.1178.3-81.20000110.5F430 V431 L433 A462 F545 V551F430-V547 CarbonylContact C-O 3.55Å; F430-V547 VanDerWaalsContact CA-O 3.3Å; F430-V547 WeakPolarHBondContact CA-O 3.41Å; V431-V547 HydrophobicContact CG2-CG2 3.77Å; V431-V547 PolarHBondContact N-O 2.88Å; V431-V547 PolarHBondContact O-N 3.25Å; L433-V547 HydrophobicContact CD1-CG2 4.01Å; L433-V547 HydrophobicContact CG-CG2 4.39Å; A462-V547 HydrophobicContact CB-CG1 3.57Å; F545-V547 HydrophobicContact CD2-CB 4.25Å; F545-V547 HydrophobicContact CD2-CG1 3.47Å; F545-V547 VanDerWaalsContact CD2-CG1 3.47Å; F545-V547 HydrophobicContact CD2-CG2 3.92Å; F545-V547 HydrophobicContact CE2-CB 4.32Å; F545-V547 HydrophobicContact CE2-CG1 3.61Å; F545-V547 HydrophobicContact CE2-CG2 3.75Å; V547-V551 HydrophobicContact CG2-CB 4.12Å; V547-V551 HydrophobicContact CG2-CG1 4.19Å; V547-V551 HydrophobicContact CG2-CG2 4.14Å
548S96.9Very high91.6Very high37 Ų3732 Ų3226%0.25918%0.177SC..EExtended strand (participates in β ladder)trans-56.9142.3164.9177.20000111.1N550 V551S548-N550 PolarHBondContact O-N 2.98Å; S548-N550 PolarHBondContact OG-N 2.74Å; S548-V551 WeakPolarHBondContact O-CB 2.99Å; S548-V551 PolarHBondContact O-N 3.3Å
549T96.6Very high93.3Very high34 Ų3432 Ų3221%0.20918%0.177CC..SBendtrans-63.1-22.3176.8-56.10000112.7V426 T428 A429 F430 V431 V551V426-T549 HydrophobicContact CB-CG2 4.08Å; V426-T549 HydrophobicContact CG1-CG2 3.89Å; T428-T549 WeakPolarHBondContact O-CB 3.47Å; T428-T549 PolarHBondContact O-OG1 3.11Å; A429-T549 PolarHBondContact O-N 2.95Å; A429-T549 PolarHBondContact O-OG1 3.5Å; F430-T549 PolarHBondContact N-OG1 3.3Å; V431-T549 HydrophobicContact CG1-CG2 4.2Å; T549-V551 PolarHBondContact O-N 3.18Å
550N92.6Very high94.4Very high151 Ų15128 Ų2881%0.80716%0.157SC*.SBendtrans-75.535172.4-167.126.2000112.7S548S548-N550 PolarHBondContact O-N 2.98Å; S548-N550 PolarHBondContact OG-N 2.74Å
551V94.5Very high94.8Very high13 Ų1329.7 Ų29.78%0.07916%0.163CC..PPolyproline II helixtrans-83.8146.3176.9660000109.6L423 V431 V547 S548 T549 L572L423-V551 HydrophobicContact CD1-CG1 4.31Å; L423-V551 HydrophobicContact CD2-CG1 3.95Å; V431-V551 HydrophobicContact CG2-CG1 4.34Å; V547-V551 HydrophobicContact CG2-CB 4.12Å; V547-V551 HydrophobicContact CG2-CG1 4.19Å; V547-V551 HydrophobicContact CG2-CG2 4.14Å; S548-V551 WeakPolarHBondContact O-CB 2.99Å; S548-V551 PolarHBondContact O-N 3.3Å; T549-V551 PolarHBondContact O-N 3.18Å; V551-L572 HydrophobicContact CG2-CD1 3.99Å; V551-L572 HydrophobicContact CG2-CD2 3.49Å; V551-L572 VanDerWaalsContact CG2-CD2 3.49Å; V551-L572 HydrophobicContact CG2-CG 4.35Å
552S94.1Very high95Very high34 Ų3429.8 Ų29.824%0.23817%0.166CC..PPolyproline II helixtrans-60.1145.3174.9-70.20000112.4H568 E575S552-H568 PolarHBondContact O-CD2 3.12Å; S552-H568 PolarHBondContact O-NE2 3.37Å; S552-E575 VanDerWaalsContact CB-OE1 3.24Å; S552-E575 WeakPolarHBondContact CB-OE1 3.04Å; S552-E575 PolarHBondContact OG-OE1 2.96Å; S552-E575 PolarHBondContact OG-OE2 3.03Å; S552-E575 VanDerWaalsContact OG-OE2 3.1Å
553A95.9Very high95.1Very high56 Ų5630.8 Ų30.846%0.46317%0.169SC..PPolyproline II helixtrans-65.2155.6177.200000111.6
554Y97.6Very high95.1Very high14 Ų1430.8 Ų30.86%0.05517%0.169CC..PPolyproline II helixtrans-67.1137.6170.3-68.7-95.9000110.2R419 N420 L433 E556 K565 H568R419-Y554 HydrophobicContact CB-CD2 3.61Å; R419-Y554 HydrophobicContact CB-CE2 3.78Å; R419-Y554 HydrophobicContact CB-CG 4.2Å; R419-Y554 HydrophobicContact CG-CD2 4.43Å; R419-Y554 HydrophobicContact CG-CE2 4.32Å; N420-Y554 PolarHBondContact ND2-O 3.33Å; N420-Y554 WeakPolarHBondContact OD1-CB 3.42Å; N420-Y554 PolarHBondContact OD1-N 3.01Å; L433-Y554 HydrophobicContact CD1-CE2 4.38Å; L433-Y554 WeakPolarHBondContact CD1-OH 3.43Å; Y554-E556 PolarHBondContact O-N 3.26Å; Y554-K565 HydrophobicContact CE1-CG 4.44Å; Y554-H568 HydrophobicContact CD1-CB 3.62Å; Y554-H568 AromaticContact CD1-CG 3.82Å; Y554-H568 HydrophobicContact CE1-CB 3.58Å; Y554-H568 AromaticContact CE1-CG 3.61Å; Y554-H568 AromaticContact CE1-ND1 3.54Å; Y554-H568 HydrophobicContact CG-CB 4.47Å; Y554-H568 AromaticContact CZ-CE1 3.9Å; Y554-H568 AromaticContact CZ-CG 3.99Å; Y554-H568 AromaticContact CZ-ND1 3.51Å
555D96.3Very high94.9Very high41 Ų4131.6 Ų31.622%0.21917%0.172CC..PPolyproline II helixtrans-69.2116.4176.4-168.9-49.8000110.1N416 R557 F558 F626N416-D555 PolarHBondContact ND2-O 3.43Å; D555-R557 PolarHBondContact O-N 2.88Å; D555-R557 VanDerWaalsContact OD1-CB 3.24Å; D555-R557 WeakPolarHBondContact OD1-CB 3.45Å; D555-R557 WeakPolarHBondContact OD1-CG 3.26Å; D555-R557 IonicContact OD1-CZ 3.87Å; D555-R557 PolarHBondContact OD1-N 3.3Å; D555-R557 IonicContact OD1-NE 3.54Å; D555-R557 PolarHBondContact OD1-NE 3.2Å; D555-R557 IonicContact OD1-NH2 3.23Å; D555-R557 IonicContact OD2-CZ 2.73Å; D555-R557 VanDerWaalsContact OD2-CZ 3.26Å; D555-R557 IonicContact OD2-NE 2.7Å; D555-R557 PolarHBondContact OD2-NE 3.43Å; D555-R557 IonicContact OD2-NH2 2.73Å; D555-R557 PolarHBondContact OD2-NH2 3.34Å; D555-F558 HydrophobicContact CB-CD2 4.24Å; D555-F558 HydrophobicContact CB-CE2 4.39Å; D555-F558 PolarHBondContact O-N 3.05Å; D555-F626 HydrophobicContact CB-CD2 4.23Å; D555-F626 HydrophobicContact CB-CE2 3.95Å; D555-F626 VanDerWaalsContact OD2-CD2 3.31Å; D555-F626 WeakPolarHBondContact OD2-CD2 3.35Å
556E95.7Very high94.7Very high53 Ų5331.5 Ų31.525%0.24817%0.172CC..THydrogen-bonded Turntrans-74-3.6-173.4-62.2-172.3-175.600113.5T306 K417 N420 R424 Y554 F558T306-E556 WeakPolarHBondContact CG2-O 3.43Å; K417-E556 HydrophobicContact CB-CG 4.4Å; K417-E556 VanDerWaalsContact CE-OE2 3.28Å; K417-E556 WeakPolarHBondContact CE-OE2 3.25Å; K417-E556 IonicContact NZ-OE2 2.78Å; N420-E556 VanDerWaalsContact ND2-CG 3.34Å; N420-E556 WeakPolarHBondContact ND2-CG 2.99Å; N420-E556 PolarHBondContact ND2-OE1 3.06Å; R424-E556 IonicContact NH2-OE1 3.45Å; Y554-E556 PolarHBondContact O-N 3.26Å; E556-F558 PolarHBondContact O-N 3.35Å
557R94.4Very high94.5Very high56 Ų5631.5 Ų31.521%0.21117%0.172CC..THydrogen-bonded Turntrans-66.5-23.3173.284.8-174.167.7-170.24.3113.3D555 V559 D629D555-R557 PolarHBondContact O-N 2.88Å; D555-R557 VanDerWaalsContact OD1-CB 3.24Å; D555-R557 WeakPolarHBondContact OD1-CB 3.45Å; D555-R557 WeakPolarHBondContact OD1-CG 3.26Å; D555-R557 IonicContact OD1-CZ 3.87Å; D555-R557 PolarHBondContact OD1-N 3.3Å; D555-R557 IonicContact OD1-NE 3.54Å; D555-R557 PolarHBondContact OD1-NE 3.2Å; D555-R557 IonicContact OD1-NH2 3.23Å; D555-R557 IonicContact OD2-CZ 2.73Å; D555-R557 VanDerWaalsContact OD2-CZ 3.26Å; D555-R557 IonicContact OD2-NE 2.7Å; D555-R557 PolarHBondContact OD2-NE 3.43Å; D555-R557 IonicContact OD2-NH2 2.73Å; D555-R557 PolarHBondContact OD2-NH2 3.34Å; R557-V559 PolarHBondContact O-N 3.46Å; R557-D629 IonicContact CZ-OD2 3.43Å; R557-D629 IonicContact NH1-OD2 3.85Å; R557-D629 PolarHBondContact NH1-OD2 3.13Å; R557-D629 IonicContact NH2-OD2 2.74Å; R557-D629 PolarHBondContact NH2-OD2 3.43Å
558F95.8Very high94.3Very high1 Ų131.6 Ų31.60%0.00417%0.172CC..  trans-9192.7176.8-58.3-71.1000109.7D555 E556 W563 N564 S567 L622 F626D555-F558 HydrophobicContact CB-CD2 4.24Å; D555-F558 HydrophobicContact CB-CE2 4.39Å; D555-F558 PolarHBondContact O-N 3.05Å; E556-F558 PolarHBondContact O-N 3.35Å; F558-W563 HydrophobicContact CD1-CB 3.7Å; F558-W563 HydrophobicContact CE1-CB 3.66Å; F558-W563 HydrophobicContact CE1-CG 4.38Å; F558-W563 HydrophobicContact CG-CB 4.32Å; F558-W563 HydrophobicContact CZ-CB 4.26Å; F558-N564 HydrophobicContact CB-CB 4.36Å; F558-S567 WeakPolarHBondContact CD2-OG 3.44Å; F558-S567 VanDerWaalsContact CE2-CB 3.45Å; F558-L622 HydrophobicContact CE1-CB 3.9Å; F558-F626 HydrophobicContact CE2-CB 4.07Å; F558-F626 HydrophobicContact CE2-CD1 4.31Å; F558-F626 HydrophobicContact CE2-CD2 4.17Å; F558-F626 AromaticContact CE2-CG 3.92Å; F558-F626 HydrophobicContact CE2-CG 3.92Å; F558-F626 HydrophobicContact CZ-CB 3.82Å; F558-F626 HydrophobicContact CZ-CD1 4.44Å; F558-F626 HydrophobicContact CZ-CG 4.1Å
559V94Very high94Very high6 Ų629.9 Ų29.94%0.03616%0.16CC..  trans-96.5162.2168.2-60.50000110.3F302 A305 T306 F412 R557F302-V559 HydrophobicContact CD1-CG2 3.49Å; F302-V559 VanDerWaalsContact CD1-CG2 3.49Å; F302-V559 HydrophobicContact CE1-CG2 4.03Å; F302-V559 HydrophobicContact CG-CG2 4.29Å; A305-V559 HydrophobicContact CB-CG1 4.27Å; A305-V559 HydrophobicContact CB-CG2 3.98Å; T306-V559 HydrophobicContact CG2-CG1 4.45Å; F412-V559 HydrophobicContact CB-CB 3.96Å; F412-V559 HydrophobicContact CB-CG2 3.69Å; F412-V559 HydrophobicContact CD1-CG2 4Å; F412-V559 HydrophobicContact CD2-CG2 4.11Å; F412-V559 HydrophobicContact CG-CB 4.46Å; F412-V559 HydrophobicContact CG-CG2 3.69Å; R557-V559 PolarHBondContact O-N 3.46Å
560G93.3Very high93.6Very high2 Ų228.4 Ų28.42%0.02115%0.151CC..SBendtrans65.1-143.9-17800000112.9Y413 I415Y413-G560 PolarHBondContact O-N 2.78Å; I415-G560 WeakPolarHBondContact CG2-O 3.29Å
561F92.4Very high93.4Very high73 Ų7322.6 Ų22.632%0.3212%0.119SC..SBendtrans-90.8145.9177.4-174.1-92.3000112.4E605 N606 F609 Y615 L619F561-E605 HydrophobicContact CB-CB 3.95Å; F561-N606 HydrophobicContact CD2-CB 4.17Å; F561-N606 VanDerWaalsContact CE2-ND2 3.25Å; F561-N606 WeakPolarHBondContact CE2-ND2 3.47Å; F561-N606 HydrophobicContact CG-CB 4.45Å; F561-N606 VanDerWaalsContact CZ-ND2 3.33Å; F561-N606 WeakPolarHBondContact CZ-ND2 3.38Å; F561-F609 HydrophobicContact CB-CB 4.3Å; F561-F609 HydrophobicContact CD1-CB 3.74Å; F561-F609 AromaticContact CD1-CD1 3.65Å; F561-F609 HydrophobicContact CD1-CD1 3.65Å; F561-F609 AromaticContact CD1-CD2 3.99Å; F561-F609 HydrophobicContact CD1-CD2 3.99Å; F561-F609 HydrophobicContact CD1-CE1 4.24Å; F561-F609 AromaticContact CD1-CG 3.5Å; F561-F609 HydrophobicContact CD1-CG 3.5Å; F561-F609 AromaticContact CE1-CD1 3.64Å; F561-F609 HydrophobicContact CE1-CD1 3.64Å; F561-F609 HydrophobicContact CE1-CD2 4.48Å; F561-F609 AromaticContact CE1-CE1 3.86Å; F561-F609 HydrophobicContact CE1-CE1 3.86Å; F561-F609 AromaticContact CE1-CG 3.98Å; F561-F609 HydrophobicContact CE1-CG 3.98Å; F561-F609 HydrophobicContact CE1-CZ 4.37Å; F561-F609 HydrophobicContact CG-CB 4.37Å; F561-Y615 PolarHBondContact N-OH 3.36Å; F561-Y615 WeakPolarHBondContact O-CE1 3.16Å; F561-Y615 PolarHBondContact O-OH 3.06Å; F561-L619 WeakPolarHBondContact O-CD1 3.24Å
562G92.5Very high93.1Very high10 Ų1022 Ų2210%0.10312%0.115CC..SBendtrans97.8142.2170.600000115.1N564G562-N564 PolarHBondContact N-ND2 3.04Å; G562-N564 PolarHBondContact O-N 3.06Å
563W92.1Very high92.5Very high50 Ų5021 Ų2119%0.18911%0.107CC..SBendtrans52.54.9179.7-54.1121.5000117.3W501 D540 F558 V566 S567 K623W501-W563 HydrophobicContact CH2-CH2 4.36Å; W501-W563 HydrophobicContact CZ2-CH2 4.49Å; D540-W563 WeakPolarHBondContact OD1-CH2 3.36Å; D540-W563 WeakPolarHBondContact OD1-CZ3 3.45Å; F558-W563 HydrophobicContact CD1-CB 3.7Å; F558-W563 HydrophobicContact CE1-CB 3.66Å; F558-W563 HydrophobicContact CE1-CG 4.38Å; F558-W563 HydrophobicContact CG-CB 4.32Å; F558-W563 HydrophobicContact CZ-CB 4.26Å; W563-V566 HydrophobicContact CE3-CB 3.98Å; W563-V566 HydrophobicContact CE3-CG1 3.86Å; W563-V566 HydrophobicContact CE3-CG2 4.32Å; W563-V566 HydrophobicContact CZ3-CB 4.46Å; W563-V566 HydrophobicContact CZ3-CG1 4.02Å; W563-S567 WeakPolarHBondContact O-CB 3.32Å; W563-S567 PolarHBondContact O-N 3.4Å; W563-S567 PolarHBondContact O-OG 2.84Å; W563-K623 HydrophobicContact CD2-CD 3.68Å; W563-K623 HydrophobicContact CD2-CG 4.26Å; W563-K623 HydrophobicContact CE3-CD 3.85Å; W563-K623 HydrophobicContact CG-CB 4.31Å; W563-K623 HydrophobicContact CG-CD 4.34Å; W563-K623 HydrophobicContact CG-CG 4.45Å; W563-K623 HydrophobicContact CH2-CD 3.99Å; W563-K623 HydrophobicContact CZ2-CD 3.75Å; W563-K623 HydrophobicContact CZ3-CD 4.03Å
564N93.3Very high91.8Very high7 Ų718.5 Ų18.54%0.0379%0.087CC..Hα-helixtrans-69.7-51.8-17355.477.9000113.6I415 N416 R419 F558 G562 S567I415-N564 HydrophobicContact CG2-CB 3.83Å; N416-N564 PolarHBondContact ND2-O 2.91Å; R419-N564 PolarHBondContact NH1-OD1 3.48Å; R419-N564 PolarHBondContact NH2-OD1 2.82Å; F558-N564 HydrophobicContact CB-CB 4.36Å; G562-N564 PolarHBondContact N-ND2 3.04Å; G562-N564 PolarHBondContact O-N 3.06Å; N564-S567 PolarHBondContact O-OG 2.85Å; N564-S567 VanDerWaalsContact O-OG 3.09Å
565K92.9Very high90.8Very high19 Ų1919.3 Ų19.38%0.0839%0.091CC..Hα-helixtrans-81.6-37.7175.2-74.9175.9-59.7-171.80112D435 E542 Y544 Y554 S567 H568 V569D435-K565 WeakPolarHBondContact OD2-CE 3.24Å; D435-K565 IonicContact OD2-NZ 2.86Å; D435-K565 PolarHBondContact OD2-NZ 2.83Å; E542-K565 VanDerWaalsContact CD-CE 3.45Å; E542-K565 HydrophobicContact CG-CB 3.59Å; E542-K565 HydrophobicContact CG-CD 4.24Å; E542-K565 WeakPolarHBondContact OE1-CE 3.46Å; E542-K565 IonicContact OE1-NZ 3.48Å; Y544-K565 HydrophobicContact CE1-CD 4.03Å; Y544-K565 PolarHBondContact OH-NZ 3.28Å; Y554-K565 HydrophobicContact CE1-CG 4.44Å; K565-S567 VanDerWaalsContact C-N 3.32Å; K565-S567 PolarHBondContact O-N 3.43Å; K565-H568 VanDerWaalsContact O-CB 3.3Å; K565-H568 WeakPolarHBondContact O-CB 3.44Å; K565-H568 PolarHBondContact O-N 3.17Å; K565-V569 PolarHBondContact O-N 3.04Å
566V92.6Very high89.2Confident2 Ų217.4 Ų17.41%0.0128%0.081CC..Hα-helixtrans-58.6-42.9177.9178.60000111.4M539 E542 W563 H568 V569 M570M539-V566 VanDerWaalsContact O-CG1 3.22Å; M539-V566 WeakPolarHBondContact O-CG1 3.5Å; E542-V566 HydrophobicContact CB-CG2 3.93Å; E542-V566 HydrophobicContact CG-CG2 4.01Å; W563-V566 HydrophobicContact CE3-CB 3.98Å; W563-V566 HydrophobicContact CE3-CG1 3.86Å; W563-V566 HydrophobicContact CE3-CG2 4.32Å; W563-V566 HydrophobicContact CZ3-CB 4.46Å; W563-V566 HydrophobicContact CZ3-CG1 4.02Å; V566-H568 PolarHBondContact O-N 2.03Å; V566-V569 PolarHBondContact O-N 2.79Å; V566-M570 HydrophobicContact CG1-CE 4.04Å; V566-M570 HydrophobicContact CG1-SD 4.45Å; V566-M570 WeakPolarHBondContact O-CG 3.38Å; V566-M570 PolarHBondContact O-N 3.07Å
567S93Very high87.3Confident2 Ų217.8 Ų17.81%0.0148%0.083CC..Hα-helixtrans-62-32176.966.80000112.5F558 W563 N564 K565 M570 Q571 F626F558-S567 WeakPolarHBondContact CD2-OG 3.44Å; F558-S567 VanDerWaalsContact CE2-CB 3.45Å; W563-S567 WeakPolarHBondContact O-CB 3.32Å; W563-S567 PolarHBondContact O-N 3.4Å; W563-S567 PolarHBondContact O-OG 2.84Å; N564-S567 PolarHBondContact O-OG 2.85Å; N564-S567 VanDerWaalsContact O-OG 3.09Å; K565-S567 VanDerWaalsContact C-N 3.32Å; K565-S567 PolarHBondContact O-N 3.43Å; S567-M570 WeakPolarHBondContact O-CB 3.22Å; S567-M570 PolarHBondContact O-N 2.87Å; S567-Q571 PolarHBondContact O-N 2.87Å; S567-F626 WeakPolarHBondContact O-CE1 3.49Å; S567-F626 WeakPolarHBondContact O-CZ 3.48Å
568H93.8Very high85.2Confident2 Ų215.6 Ų15.61%0.0098%0.076CC..Hα-helixtrans-67.2-45.3176.2-173.9-132.1000111.2F545 S552 Y554 K565 V566 M570 Q571 L572F545-H568 AromaticContact CZ-ND1 3.81Å; S552-H568 PolarHBondContact O-CD2 3.12Å; S552-H568 PolarHBondContact O-NE2 3.37Å; Y554-H568 HydrophobicContact CD1-CB 3.62Å; Y554-H568 AromaticContact CD1-CG 3.82Å; Y554-H568 HydrophobicContact CE1-CB 3.58Å; Y554-H568 AromaticContact CE1-CG 3.61Å; Y554-H568 AromaticContact CE1-ND1 3.54Å; Y554-H568 HydrophobicContact CG-CB 4.47Å; Y554-H568 AromaticContact CZ-CE1 3.9Å; Y554-H568 AromaticContact CZ-CG 3.99Å; Y554-H568 AromaticContact CZ-ND1 3.51Å; K565-H568 VanDerWaalsContact O-CB 3.3Å; K565-H568 WeakPolarHBondContact O-CB 3.44Å; K565-H568 PolarHBondContact O-N 3.17Å; V566-H568 PolarHBondContact O-N 2.03Å; H568-M570 VanDerWaalsContact C-N 3.31Å; H568-M570 PolarHBondContact O-N 3.44Å; H568-Q571 WeakPolarHBondContact O-CB 3.32Å; H568-Q571 PolarHBondContact O-N 3.21Å; H568-Q571 VanDerWaalsContact O-N 3.11Å; H568-L572 WeakPolarHBondContact O-CG 3.4Å; H568-L572 PolarHBondContact O-N 3.1Å
569V90.9Very high82.9Confident1 Ų117.9 Ų17.91%0.00610%0.1CC..Hα-helixtrans-62.4-39.5174.9179.60000111.9F541 P543 F545 K565 V566 Q571 L572 D573 F587F541-V569 HydrophobicContact CD1-CG1 4.23Å; P543-V569 HydrophobicContact CG-CG2 4.01Å; F545-V569 HydrophobicContact CE1-CG2 4.05Å; K565-V569 PolarHBondContact O-N 3.04Å; V566-V569 PolarHBondContact O-N 2.79Å; V569-Q571 VanDerWaalsContact C-N 3.31Å; V569-Q571 PolarHBondContact O-N 2.67Å; V569-L572 PolarHBondContact O-N 3.38Å; V569-D573 WeakPolarHBondContact O-CB 3.31Å; V569-D573 PolarHBondContact O-N 2.85Å; V569-F587 HydrophobicContact CG1-CE1 4.23Å; V569-F587 HydrophobicContact CG1-CZ 3.98Å
570M88.3Confident80.7Confident3 Ų326.6 Ų26.62%0.01514%0.144CC..Hα-helixtrans-60.1-40173.2-70.2174.7163.400112.6M539 V566 S567 H568 A574 F626 L630M539-M570 VanDerWaalsContact CA-CE 3.47Å; M539-M570 HydrophobicContact CB-CE 4Å; M539-M570 HydrophobicContact CG-CE 4.17Å; M539-M570 WeakPolarHBondContact O-CE 3.3Å; V566-M570 HydrophobicContact CG1-CE 4.04Å; V566-M570 HydrophobicContact CG1-SD 4.45Å; V566-M570 WeakPolarHBondContact O-CG 3.38Å; V566-M570 PolarHBondContact O-N 3.07Å; S567-M570 WeakPolarHBondContact O-CB 3.22Å; S567-M570 PolarHBondContact O-N 2.87Å; H568-M570 VanDerWaalsContact C-N 3.31Å; H568-M570 PolarHBondContact O-N 3.44Å; M570-A574 VanDerWaalsContact O-CB 3.28Å; M570-A574 WeakPolarHBondContact O-CB 3.4Å; M570-A574 PolarHBondContact O-N 3.4Å; M570-F626 HydrophobicContact CB-CE1 3.9Å; M570-F626 HydrophobicContact SD-CD1 4.17Å; M570-F626 HydrophobicContact SD-CE1 3.91Å; M570-L630 HydrophobicContact CB-CD1 3.99Å
571Q88.5Confident78.5Confident29 Ų2931.1 Ų31.114%0.13618%0.181CC..Hα-helixtrans-62.2-48.2175.9-178.971.337.200110.7S567 H568 V569 D573 A574 E575 F626S567-Q571 PolarHBondContact O-N 2.87Å; H568-Q571 WeakPolarHBondContact O-CB 3.32Å; H568-Q571 PolarHBondContact O-N 3.21Å; H568-Q571 VanDerWaalsContact O-N 3.11Å; V569-Q571 VanDerWaalsContact C-N 3.31Å; V569-Q571 PolarHBondContact O-N 2.67Å; Q571-D573 PolarHBondContact O-N 3.03Å; Q571-A574 WeakPolarHBondContact O-CB 3.38Å; Q571-A574 PolarHBondContact O-N 3.32Å; Q571-A574 VanDerWaalsContact O-N 3.1Å; Q571-E575 VanDerWaalsContact CG-OE1 3.31Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.31Å; Q571-E575 PolarHBondContact NE2-OE1 3.33Å; Q571-E575 WeakPolarHBondContact O-CG 3.3Å; Q571-E575 PolarHBondContact O-N 3.42Å; Q571-F626 HydrophobicContact CB-CZ 4.34Å
572L88.6Confident76.6Confident0 Ų031.5 Ų31.50%018%0.183CC..Hα-helixtrans-63.3-43.6179.5-58-175.7000111.8F545 V551 H568 V569 A574 E575 G576 Y585F545-L572 HydrophobicContact CE2-CD1 4.06Å; F545-L572 HydrophobicContact CZ-CD1 3.95Å; V551-L572 HydrophobicContact CG2-CD1 3.99Å; V551-L572 HydrophobicContact CG2-CD2 3.49Å; V551-L572 VanDerWaalsContact CG2-CD2 3.49Å; V551-L572 HydrophobicContact CG2-CG 4.35Å; H568-L572 WeakPolarHBondContact O-CG 3.4Å; H568-L572 PolarHBondContact O-N 3.1Å; V569-L572 PolarHBondContact O-N 3.38Å; L572-A574 VanDerWaalsContact C-N 3.25Å; L572-A574 PolarHBondContact O-N 3.11Å; L572-E575 PolarHBondContact O-N 2.79Å; L572-G576 PolarHBondContact O-N 3.35Å; L572-Y585 HydrophobicContact CB-CD1 4.28Å; L572-Y585 HydrophobicContact CB-CD2 4.1Å; L572-Y585 HydrophobicContact CB-CE1 4.38Å; L572-Y585 HydrophobicContact CB-CE2 4.18Å; L572-Y585 HydrophobicContact CB-CG 4.14Å; L572-Y585 HydrophobicContact CD1-CE1 4.32Å; L572-Y585 HydrophobicContact CD2-CE2 4.23Å; L572-Y585 WeakPolarHBondContact O-CD2 3.4Å
573D81.8Confident75.1Confident13 Ų1336.2 Ų36.27%0.0720%0.201CC..Hα-helixtrans-57.9-39.6172.9-175.962000111.4V569 Q571 G576 R634V569-D573 WeakPolarHBondContact O-CB 3.31Å; V569-D573 PolarHBondContact O-N 2.85Å; Q571-D573 PolarHBondContact O-N 3.03Å; D573-G576 PolarHBondContact O-N 3.08Å; D573-R634 IonicContact OD2-NH2 2.78Å
574A79.2Confident74.4Confident4 Ų437.8 Ų37.83%0.03321%0.213CC..Hα-helixtrans-71.4-38.2179.400000115.7M570 Q571 L572 G576 Q577 L630 R634M570-A574 VanDerWaalsContact O-CB 3.28Å; M570-A574 WeakPolarHBondContact O-CB 3.4Å; M570-A574 PolarHBondContact O-N 3.4Å; Q571-A574 WeakPolarHBondContact O-CB 3.38Å; Q571-A574 PolarHBondContact O-N 3.32Å; Q571-A574 VanDerWaalsContact O-N 3.1Å; L572-A574 VanDerWaalsContact C-N 3.25Å; L572-A574 PolarHBondContact O-N 3.11Å; A574-G576 PolarHBondContact O-N 3.08Å; A574-Q577 PolarHBondContact O-N 3.03Å; A574-L630 HydrophobicContact CB-CD1 4.44Å; A574-L630 HydrophobicContact CB-CD2 3.87Å; A574-R634 VanDerWaalsContact CA-NE 3.32Å; A574-R634 HydrophobicContact CB-CG 4.48Å; A574-R634 VanDerWaalsContact CB-NE 3.26Å; A574-R634 VanDerWaalsContact CB-NH2 3.34Å
575E77Confident74Confident31 Ų3138.6 Ų38.615%0.14522%0.215CC..Hα-helixtrans-67-20.5177.7-73.4169.3-17500112.5R460 S552 Q571 L572 Q577 K582R460-E575 VanDerWaalsContact NH1-C 3.31Å; R460-E575 PolarHBondContact NH1-O 2.84Å; S552-E575 VanDerWaalsContact CB-OE1 3.24Å; S552-E575 WeakPolarHBondContact CB-OE1 3.04Å; S552-E575 PolarHBondContact OG-OE1 2.96Å; S552-E575 PolarHBondContact OG-OE2 3.03Å; S552-E575 VanDerWaalsContact OG-OE2 3.1Å; Q571-E575 VanDerWaalsContact CG-OE1 3.31Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.31Å; Q571-E575 PolarHBondContact NE2-OE1 3.33Å; Q571-E575 WeakPolarHBondContact O-CG 3.3Å; Q571-E575 PolarHBondContact O-N 3.42Å; L572-E575 PolarHBondContact O-N 2.79Å; E575-Q577 PolarHBondContact O-N 3.09Å; E575-K582 WeakPolarHBondContact O-CE 3.17Å; E575-K582 PolarHBondContact O-NZ 2.95Å
576G64.1Low73.8Confident1 Ų138.7 Ų38.71%0.0122%0.216CC..THydrogen-bonded Turntrans-55.3-28173.700000115.6R460 L572 D573 A574 K582R460-G576 VanDerWaalsContact NH1-CA 3.33Å; L572-G576 PolarHBondContact O-N 3.35Å; D573-G576 PolarHBondContact O-N 3.08Å; A574-G576 PolarHBondContact O-N 3.08Å; G576-K582 WeakPolarHBondContact O-CB 3.14Å; G576-K582 WeakPolarHBondContact O-CD 3.46Å
577Q54.5Low73.7Confident61 Ų6138.8 Ų38.829%0.28522%0.216SC..THydrogen-bonded Turntrans-10915.7-156.8-62.3-173-2.300116.8A574 E575A574-Q577 PolarHBondContact O-N 3.03Å; E575-Q577 PolarHBondContact O-N 3.09Å
578V51Low73.8Confident10 Ų1041.4 Ų41.46%0.06123%0.227CC..  trans-124.8125-169.5160.90000114.7K582 R634 E637V578-K582 VanDerWaalsContact CB-NZ 3.32Å; V578-K582 WeakPolarHBondContact O-CD 3.38Å; V578-K582 WeakPolarHBondContact O-CE 3.44Å; V578-K582 WeakPolarHBondContact O-CG 3.43Å; V578-K582 PolarHBondContact O-NZ 3.3Å; V578-R634 HydrophobicContact CG2-CB 4.37Å; V578-R634 HydrophobicContact CG2-CG 4.38Å; V578-E637 HydrophobicContact CB-CB 4.1Å; V578-E637 WeakPolarHBondContact CB-OE2 3.47Å; V578-E637 HydrophobicContact CG1-CB 2.99Å; V578-E637 HydrophobicContact CG1-CG 3.93Å; V578-E637 WeakPolarHBondContact CG1-OE2 3.48Å; V578-E637 HydrophobicContact CG2-CB 4.09Å; V578-E637 VanDerWaalsContact CG2-OE2 3.31Å; V578-E637 WeakPolarHBondContact CG2-OE2 3.34Å
579G47.9Very low74Confident50 Ų5041.3 Ų41.352%0.51523%0.226SC..SBendtrans98.7166.2169.300000114.9A581G579-A581 VanDerWaalsContact C-N 3.35Å; G579-A581 PolarHBondContact O-N 2.78Å
580I46.3Very low74.4Confident188 Ų18841.6 Ų41.696%0.96423%0.227SC*.SBendtrans-73-19-153.1-58174.6000114.3
581A47.8Very low74.8Confident97 Ų9741.7 Ų41.780%0.80223%0.228SC*.SBendtrans-133.193.1173.900000109G579G579-A581 VanDerWaalsContact C-N 3.35Å; G579-A581 PolarHBondContact O-N 2.78Å
582K52.7Low75Confident81 Ų8144 Ų4435%0.35224%0.242SC..  trans-136.1130.3179.9-85.2-152.6-179.41570115.7E575 G576 V578E575-K582 WeakPolarHBondContact O-CE 3.17Å; E575-K582 PolarHBondContact O-NZ 2.95Å; G576-K582 WeakPolarHBondContact O-CB 3.14Å; G576-K582 WeakPolarHBondContact O-CD 3.46Å; V578-K582 VanDerWaalsContact CB-NZ 3.32Å; V578-K582 WeakPolarHBondContact O-CD 3.38Å; V578-K582 WeakPolarHBondContact O-CE 3.44Å; V578-K582 WeakPolarHBondContact O-CG 3.43Å; V578-K582 PolarHBondContact O-NZ 3.3Å
583K61.6Low75.5Confident109 Ų10944.2 Ų44.247%0.47424%0.243SC..PPolyproline II helixtrans-94.9128.9164-173.9-178.5179.6-172.90107.3R460R460-K583 VanDerWaalsContact CD-O 3.29Å; R460-K583 WeakPolarHBondContact CD-O 3.2Å
584D76.5Confident76.2Confident83 Ų8343.6 Ų43.644%0.44424%0.24SC..PPolyproline II helixtrans-57.5152.1171.9-68.5-43.8000110.5Q586D584-Q586 WeakPolarHBondContact O-CG 3.22Å; D584-Q586 PolarHBondContact O-N 2.92Å; D584-Q586 PolarHBondContact O-NE2 2.8Å
585Y84.6Confident77.1Confident24 Ų2443.4 Ų43.49%0.09424%0.238CC..PPolyproline II helixtrans-58.6125.6169.7-107.9-87.8000109.7R460 L572R460-Y585 VanDerWaalsContact C-CD1 3.43Å; R460-Y585 HydrophobicContact CB-CD1 4.25Å; R460-Y585 HydrophobicContact CB-CD2 3.97Å; R460-Y585 HydrophobicContact CB-CE1 4.35Å; R460-Y585 HydrophobicContact CB-CE2 4.11Å; R460-Y585 HydrophobicContact CB-CG 4.07Å; R460-Y585 HydrophobicContact CG-CD2 4.08Å; R460-Y585 HydrophobicContact CG-CE2 3.9Å; R460-Y585 CarbonylContact O-C 3.46Å; R460-Y585 VanDerWaalsContact O-CA 3.26Å; R460-Y585 WeakPolarHBondContact O-CA 3.37Å; R460-Y585 WeakPolarHBondContact O-CD1 3.4Å; L572-Y585 HydrophobicContact CB-CD1 4.28Å; L572-Y585 HydrophobicContact CB-CD2 4.1Å; L572-Y585 HydrophobicContact CB-CE1 4.38Å; L572-Y585 HydrophobicContact CB-CE2 4.18Å; L572-Y585 HydrophobicContact CB-CG 4.14Å; L572-Y585 HydrophobicContact CD1-CE1 4.32Å; L572-Y585 HydrophobicContact CD2-CE2 4.23Å; L572-Y585 WeakPolarHBondContact O-CD2 3.4Å
586Q88.8Confident78Confident22 Ų2242 Ų4210%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-104.8130.6-179.6-56.9-56.3-52.900110.1R460 T461 A462 D584 Y588R460-Q586 PolarHBondContact O-N 2.76Å; T461-Q586 WeakPolarHBondContact CA-O 3.48Å; A462-Q586 PolarHBondContact N-O 2.91Å; D584-Q586 WeakPolarHBondContact O-CG 3.22Å; D584-Q586 PolarHBondContact O-N 2.92Å; D584-Q586 PolarHBondContact O-NE2 2.8Å; Q586-Y588 HydrophobicContact CB-CD2 4.14Å; Q586-Y588 HydrophobicContact CB-CE2 3.5Å; Q586-Y588 HydrophobicContact CG-CE2 4.37Å
587F91.8Very high79.5Confident3 Ų343.2 Ų43.21%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-108.8114.8178.7-66.1-91.8000109.1A462 I464 K521 A522 F524 V569A462-F587 HydrophobicContact CB-CD1 3.56Å; A462-F587 HydrophobicContact CB-CE1 3.74Å; A462-F587 HydrophobicContact CB-CG 4.35Å; A462-F587 CarbonylContact O-C 3.41Å; A462-F587 WeakPolarHBondContact O-CA 3.45Å; I464-F587 HydrophobicContact CD1-CB 3.77Å; I464-F587 HydrophobicContact CD1-CD1 4.29Å; I464-F587 HydrophobicContact CD1-CG 4.5Å; I464-F587 HydrophobicContact CG1-CD1 4.47Å; K521-F587 CarbonylContact C-O 3.5Å; K521-F587 WeakPolarHBondContact CA-O 3.5Å; A522-F587 HydrophobicContact CB-CB 4.06Å; A522-F587 PolarHBondContact N-O 3.45Å; F524-F587 HydrophobicContact CE2-CB 4.02Å; F524-F587 AromaticContact CE2-CD2 3.81Å; F524-F587 HydrophobicContact CE2-CD2 3.81Å; F524-F587 HydrophobicContact CE2-CG 4.15Å; F524-F587 HydrophobicContact CZ-CB 4.06Å; F524-F587 AromaticContact CZ-CD2 3.75Å; F524-F587 HydrophobicContact CZ-CD2 3.75Å; F524-F587 HydrophobicContact CZ-CE2 4.37Å; F524-F587 AromaticContact CZ-CG 3.9Å; F524-F587 HydrophobicContact CZ-CG 3.9Å; V569-F587 HydrophobicContact CG1-CE1 4.23Å; V569-F587 HydrophobicContact CG1-CZ 3.98Å
588Y95.4Very high81.2Confident58 Ų5843.4 Ų43.423%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-113.2126.4178.2-68.9-85000110.3T461 A462 L463 I464 Y520 K521 Q586T461-Y588 HydrophobicContact CG2-CD2 3.87Å; T461-Y588 HydrophobicContact CG2-CE2 4.2Å; A462-Y588 PolarHBondContact O-N 3.44Å; L463-Y588 CarbonylContact C-O 3.59Å; L463-Y588 WeakPolarHBondContact CA-O 3.46Å; I464-Y588 PolarHBondContact N-O 3.48Å; Y520-Y588 CarbonylContact O-C 3.51Å; Y520-Y588 VanDerWaalsContact O-CA 3.31Å; Y520-Y588 WeakPolarHBondContact O-CA 3.46Å; K521-Y588 HydrophobicContact CB-CD1 4.22Å; K521-Y588 HydrophobicContact CB-CE1 4.04Å; Q586-Y588 HydrophobicContact CB-CD2 4.14Å; Q586-Y588 HydrophobicContact CB-CE2 3.5Å; Q586-Y588 HydrophobicContact CG-CE2 4.37Å
589V97.3Very high83Confident0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-81.4127.5174.6-172.60000109.5I464 P466 T508 P519 Y520 A522I464-V589 HydrophobicContact CB-CG2 4.32Å; I464-V589 HydrophobicContact CD1-CG2 4.04Å; I464-V589 HydrophobicContact CG2-CG2 4.49Å; P466-V589 HydrophobicContact CG-CG1 3.47Å; P466-V589 VanDerWaalsContact CG-CG1 3.47Å; T508-V589 HydrophobicContact CG2-CG1 3.73Å; T508-V589 HydrophobicContact CG2-CG2 4.06Å; P519-V589 WeakPolarHBondContact CA-O 3.5Å; Y520-V589 HydrophobicContact CD1-CB 4.44Å; Y520-V589 HydrophobicContact CD2-CB 4.17Å; Y520-V589 HydrophobicContact CD2-CG2 4.37Å; Y520-V589 HydrophobicContact CE1-CB 3.96Å; Y520-V589 HydrophobicContact CE1-CG1 4.1Å; Y520-V589 HydrophobicContact CE2-CB 3.67Å; Y520-V589 HydrophobicContact CE2-CG1 4.24Å; Y520-V589 HydrophobicContact CE2-CG2 3.8Å; Y520-V589 PolarHBondContact N-O 3.37Å; Y520-V589 PolarHBondContact O-N 2.87Å; Y520-V589 WeakPolarHBondContact OH-CG1 3.43Å; A522-V589 HydrophobicContact CB-CG2 4.08Å
590L98.2Very high84.8Confident6 Ų644.9 Ų44.93%0.03123%0.23CC..  trans-85.8128.2177.2-62.7-179.6000110.9L448 A451 L463 I464 W513 P519 V593L448-L590 HydrophobicContact CD2-CD1 3.55Å; A451-L590 HydrophobicContact CB-CD1 3.92Å; A451-L590 HydrophobicContact CB-CD2 3.86Å; L463-L590 HydrophobicContact CB-CD1 3.88Å; L463-L590 HydrophobicContact CB-CD2 4.19Å; L463-L590 HydrophobicContact CB-CG 4Å; L463-L590 HydrophobicContact CD1-CD2 4.44Å; L463-L590 HydrophobicContact CD2-CD2 4.26Å; I464-L590 PolarHBondContact O-N 3.42Å; W513-L590 PolarHBondContact NE1-O 3.06Å; P519-L590 HydrophobicContact CB-CD2 4.3Å; P519-L590 HydrophobicContact CG-CD2 4.04Å; L590-V593 HydrophobicContact CB-CG1 3.5Å; L590-V593 HydrophobicContact CD1-CG1 3.63Å; L590-V593 HydrophobicContact CG-CG1 4.23Å
591P96.4Very high86.8Confident5 Ų539.7 Ų39.73%0.03222%0.215CC..SBendtrans-81.8-23.9-172.231.2-37.8000114.7K481 W513 A516K481-P591 WeakPolarHBondContact CD-O 3.18Å; K481-P591 PolarHBondContact NZ-O 3.28Å; W513-P591 WeakPolarHBondContact CZ2-O 3.43Å; W513-P591 PolarHBondContact NE1-O 3.17Å; A516-P591 HydrophobicContact CB-CB 4.13Å; A516-P591 WeakPolarHBondContact O-CB 3.39Å
592N94.1Very high88.6Confident79 Ų7938 Ų3842%0.42220%0.202SC..SBendtrans-11410.3-166.5-67-35.8000113.5L447L447-N592 WeakPolarHBondContact CD1-O 3.09Å
593V97.7Very high90.3Very high4 Ų436.5 Ų36.52%0.02420%0.201CC..  trans-134.7147.9175.465.30000108.9M441 A444 L448 V465 P466 L590M441-V593 HydrophobicContact CG-CG2 4.21Å; M441-V593 HydrophobicContact SD-CB 4.48Å; M441-V593 HydrophobicContact SD-CG2 4.39Å; A444-V593 HydrophobicContact CB-CG2 3.78Å; L448-V593 HydrophobicContact CD2-CG1 4.04Å; L448-V593 HydrophobicContact CD2-CG2 4.36Å; L448-V593 HydrophobicContact CG-CG2 4.49Å; V465-V593 HydrophobicContact CG1-CG1 4.35Å; V465-V593 HydrophobicContact CG1-CG2 4.22Å; V465-V593 HydrophobicContact CG2-CG1 4.16Å; P466-V593 WeakPolarHBondContact CD-O 3.49Å; L590-V593 HydrophobicContact CB-CG1 3.5Å; L590-V593 HydrophobicContact CD1-CG1 3.63Å; L590-V593 HydrophobicContact CG-CG1 4.23Å
594F97.9Very high91.5Very high0 Ų035.7 Ų35.70%020%0.198CC..  trans-153.7164.8176.457.3-95000110.3M441 P466 F468 P478 L484 W513 V596M441-F594 HydrophobicContact CB-CD2 4.08Å; M441-F594 HydrophobicContact CB-CE1 4.1Å; M441-F594 HydrophobicContact CB-CE2 3.58Å; M441-F594 HydrophobicContact CB-CZ 3.62Å; M441-F594 HydrophobicContact CE-CE1 4.33Å; M441-F594 HydrophobicContact CG-CE1 4.37Å; M441-F594 HydrophobicContact CG-CZ 4.37Å; M441-F594 PolarHBondContact N-O 2.84Å; M441-F594 HydrophobicContact SD-CD1 3.71Å; M441-F594 HydrophobicContact SD-CE1 3.49Å; M441-F594 WeakPolarHBondContact SD-CE1 3.5Å; M441-F594 HydrophobicContact SD-CG 4.39Å; M441-F594 HydrophobicContact SD-CZ 4Å; P466-F594 WeakPolarHBondContact O-CA 3.47Å; F468-F594 HydrophobicContact CD2-CB 3.89Å; F468-F594 HydrophobicContact CD2-CG 4.39Å; F468-F594 HydrophobicContact CE2-CB 3.81Å; F468-F594 HydrophobicContact CE2-CG 4.44Å; P478-F594 HydrophobicContact CB-CE2 4.36Å; P478-F594 HydrophobicContact CB-CZ 4.08Å; P478-F594 HydrophobicContact CG-CE2 3.71Å; P478-F594 HydrophobicContact CG-CZ 3.94Å; P478-F594 WeakPolarHBondContact O-CZ 3.38Å; L484-F594 HydrophobicContact CB-CE1 4.19Å; L484-F594 HydrophobicContact CB-CZ 4.1Å; L484-F594 HydrophobicContact CD1-CB 4.31Å; L484-F594 HydrophobicContact CD1-CD1 3.76Å; L484-F594 HydrophobicContact CD1-CD2 3.38Å; L484-F594 HydrophobicContact CD1-CE1 3.86Å; L484-F594 HydrophobicContact CD1-CE2 3.52Å; L484-F594 HydrophobicContact CD1-CG 3.52Å; L484-F594 HydrophobicContact CD1-CZ 3.74Å; W513-F594 HydrophobicContact CH2-CB 4.37Å; W513-F594 AromaticContact CH2-CD1 3.95Å; W513-F594 HydrophobicContact CH2-CD1 3.95Å; W513-F594 HydrophobicContact CH2-CG 4.45Å; W513-F594 HydrophobicContact CZ2-CB 4.07Å; W513-F594 HydrophobicContact CZ2-CD1 4.05Å; W513-F594 HydrophobicContact CZ2-CG 4.49Å; F594-V596 HydrophobicContact CD2-CG2 3.81Å; F594-V596 HydrophobicContact CE2-CG2 3.87Å
595A97.7Very high92.1Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-125148170.600000110.3F438 I439 V465 P466 A467 F468F438-A595 HydrophobicContact CB-CB 4.16Å; F438-A595 HydrophobicContact CD1-CB 4.37Å; I439-A595 WeakPolarHBondContact O-CA 3.43Å; V465-A595 HydrophobicContact CG1-CB 4.19Å; P466-A595 PolarHBondContact O-N 3.33Å; A467-A595 WeakPolarHBondContact CA-O 3.25Å; F468-A595 PolarHBondContact N-O 3.46Å
596V96.6Very high92.4Very high1 Ų132.7 Ų32.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-120.4121.2-175.9-176.50000109.5I439 F468 M470 F477 P478 F594 Y598I439-V596 PolarHBondContact N-O 3.42Å; I439-V596 PolarHBondContact O-N 2.86Å; F468-V596 HydrophobicContact CB-CG2 4.48Å; F468-V596 CarbonylContact O-C 3.4Å; F468-V596 WeakPolarHBondContact O-CA 3.43Å; M470-V596 HydrophobicContact CG-CG1 3.51Å; M470-V596 HydrophobicContact SD-CG1 3.93Å; F477-V596 HydrophobicContact CD1-CB 3.88Å; F477-V596 HydrophobicContact CD1-CG1 4.09Å; F477-V596 HydrophobicContact CD1-CG2 4.42Å; F477-V596 HydrophobicContact CE1-CB 3.95Å; F477-V596 HydrophobicContact CE1-CG1 4.01Å; P478-V596 HydrophobicContact CG-CG2 4.21Å; F594-V596 HydrophobicContact CD2-CG2 3.81Å; F594-V596 HydrophobicContact CE2-CG2 3.87Å; V596-Y598 PolarHBondContact O-N 3.15Å
597H95.1Very high92.4Very high26 Ų2634 Ų3412%0.1220%0.195CC..EExtended strand (participates in β ladder)trans-66.3118173.5-176.3-84.6000110.1D437 F438 F468 E469 F496 H600D437-H597 CarbonylContact O-C 3.51Å; D437-H597 WeakPolarHBondContact O-CA 3.45Å; F438-H597 HydrophobicContact CD1-CB 4.03Å; F438-H597 HydrophobicContact CE1-CB 3.59Å; F438-H597 AromaticContact CE2-CD2 3.53Å; F438-H597 HydrophobicContact CZ-CB 3.87Å; F438-H597 AromaticContact CZ-CD2 3.47Å; F438-H597 VanDerWaalsContact CZ-CD2 3.47Å; F438-H597 WeakPolarHBondContact CZ-CD2 3.49Å; F468-H597 WeakPolarHBondContact O-CB 3.4Å; F468-H597 PolarHBondContact O-N 3.5Å; E469-H597 HydrophobicContact CB-CB 4Å; F496-H597 HydrophobicContact CD2-CB 3.84Å; F496-H597 AromaticContact CD2-CG 3.98Å; F496-H597 HydrophobicContact CE2-CB 4.19Å; F496-H597 AromaticContact CE2-CD2 3.55Å; F496-H597 AromaticContact CE2-CG 3.83Å; H597-H600 AromaticContact CE1-CD2 3.54Å; H597-H600 AromaticContact CE1-CE1 3.98Å; H597-H600 AromaticContact CE1-NE2 3.25Å; H597-H600 PolarHBondContact CE1-NE2 3.3Å; H597-H600 AromaticContact NE2-CD2 3.76Å; H597-H600 AromaticContact NE2-CE1 3.92Å; H597-H600 AromaticContact NE2-NE2 3.08Å; H597-H600 PolarHBondContact NE2-NE2 3.39Å
598Y90.8Very high92.3Very high65 Ų6534.3 Ų34.326%0.25520%0.196SC..PPolyproline II helixtrans-73.7128.4175.2-175.5-109.5000110.1V341 L344 D437 F477 V596 H600V341-Y598 HydrophobicContact CG2-CD1 3.98Å; V341-Y598 HydrophobicContact CG2-CE1 4.42Å; L344-Y598 HydrophobicContact CD2-CD2 4Å; L344-Y598 HydrophobicContact CD2-CE2 4.21Å; L344-Y598 HydrophobicContact CD2-CG 4.37Å; D437-Y598 PolarHBondContact O-N 3.14Å; F477-Y598 HydrophobicContact CE2-CD2 4.29Å; F477-Y598 AromaticContact CZ-CD2 3.73Å; F477-Y598 HydrophobicContact CZ-CD2 3.73Å; V596-Y598 PolarHBondContact O-N 3.15Å; Y598-H600 PolarHBondContact O-CD2 3.43Å; Y598-H600 PolarHBondContact O-N 3.47Å
599P88.3Confident92.1Very high24 Ų2434.2 Ų34.216%0.15620%0.197CC..PPolyproline II helixtrans-64.6132.2-177.5-18.430.5000111.6M470 L473M470-P599 HydrophobicContact CB-CG 3.83Å; M470-P599 WeakPolarHBondContact O-CG 3.48Å; L473-P599 HydrophobicContact CD2-CB 3.76Å; L473-P599 HydrophobicContact CD2-CG 4.41Å; L473-P599 WeakPolarHBondContact CD2-O 3.33Å; L473-P599 HydrophobicContact CG-CB 4.26Å
600H86.3Confident91.7Very high67 Ų6740 Ų4031%0.3122%0.224SC..  trans-149.5162.8179.362.167.3000111.3R338 D437 H597 Y598R338-H600 PolarHBondContact NH2-ND1 2.96Å; D437-H600 VanDerWaalsContact CG-CD2 3.41Å; D437-H600 IonicContact OD1-CD2 3.49Å; D437-H600 PolarHBondContact OD1-CD2 2.83Å; D437-H600 IonicContact OD1-NE2 2.86Å; D437-H600 PolarHBondContact OD1-NE2 2.93Å; D437-H600 IonicContact OD2-NE2 2.93Å; H597-H600 AromaticContact CE1-CD2 3.54Å; H597-H600 AromaticContact CE1-CE1 3.98Å; H597-H600 AromaticContact CE1-NE2 3.25Å; H597-H600 PolarHBondContact CE1-NE2 3.3Å; H597-H600 AromaticContact NE2-CD2 3.76Å; H597-H600 AromaticContact NE2-CE1 3.92Å; H597-H600 AromaticContact NE2-NE2 3.08Å; H597-H600 PolarHBondContact NE2-NE2 3.39Å; Y598-H600 PolarHBondContact O-CD2 3.43Å; Y598-H600 PolarHBondContact O-N 3.47Å
601A86.6Confident91.3Very high79 Ų7944.6 Ų44.665%0.65325%0.252SS*.PPolyproline II helixtrans-62.7149.9172.700000111.3R338 S603R338-A601 PolarHBondContact NH2-O 3.36Å; A601-S603 PolarHBondContact O-N 3.01Å
602A86.2Confident91Very high63 Ų6345 Ų4552%0.52126%0.255SS..PPolyproline II helixtrans-57.9138.4176.300000110.4
603S87.7Confident90.8Very high49 Ų4945.3 Ų45.334%0.34326%0.263SS..PPolyproline II helixtrans-69.4157.4176.169.70000110.7A601 E605 N606 S607A601-S603 PolarHBondContact O-N 3.01Å; S603-E605 VanDerWaalsContact C-N 3.27Å; S603-E605 PolarHBondContact O-N 2.78Å; S603-N606 PolarHBondContact O-N 3.16Å; S603-N606 WeakPolarHBondContact OG-CB 3.45Å; S603-N606 PolarHBondContact OG-N 3.39Å; S603-S607 PolarHBondContact O-N 3.24Å; S603-S607 PolarHBondContact O-OG 3.42Å
604F87.2Confident90.3Very high92 Ų9246.7 Ų46.740%0.40427%0.27SS..Hα-helixtrans-58.1-40.2175.3179.6-115.8000112.5T408 T410 S607 R608T408-F604 HydrophobicContact CG2-CZ 4.17Å; T408-F604 WeakPolarHBondContact OG1-CZ 2.71Å; T410-F604 HydrophobicContact CG2-CD1 4.26Å; T410-F604 HydrophobicContact CG2-CE1 3.66Å; T410-F604 HydrophobicContact CG2-CZ 4.44Å; F604-S607 WeakPolarHBondContact O-CB 3.36Å; F604-S607 PolarHBondContact O-N 2.83Å; F604-R608 VanDerWaalsContact CZ-NE 3.27Å; F604-R608 WeakPolarHBondContact O-CG 3.1Å; F604-R608 PolarHBondContact O-N 3.23Å
605E89.8Confident89.9Confident13 Ų1346.7 Ų46.76%0.06127%0.27CS..Hα-helixtrans-66.7-37.6175.8-63.2-64168.300112.9F412 Y413 F561 S603 S607 R608 F609F412-E605 WeakPolarHBondContact CA-OE1 3.14Å; Y413-E605 PolarHBondContact N-OE1 3.1Å; F561-E605 HydrophobicContact CB-CB 3.95Å; S603-E605 VanDerWaalsContact C-N 3.27Å; S603-E605 PolarHBondContact O-N 2.78Å; E605-S607 VanDerWaalsContact C-N 3.32Å; E605-R608 PolarHBondContact O-N 3.44Å; E605-R608 IonicContact OE1-NH1 3.33Å; E605-R608 PolarHBondContact OE1-NH1 3.06Å; E605-R608 IonicContact OE2-NH1 4Å; E605-F609 WeakPolarHBondContact O-CB 3.23Å; E605-F609 PolarHBondContact O-N 3.05Å
606N90.3Very high89.6Confident31 Ų3151.2 Ų51.217%0.16629%0.287CS..Hα-helixtrans-64.4-41.4174-174.1-90.9000110.9F561 S603 F609 Q610F561-N606 HydrophobicContact CD2-CB 4.17Å; F561-N606 VanDerWaalsContact CE2-ND2 3.25Å; F561-N606 WeakPolarHBondContact CE2-ND2 3.47Å; F561-N606 HydrophobicContact CG-CB 4.45Å; F561-N606 VanDerWaalsContact CZ-ND2 3.33Å; F561-N606 WeakPolarHBondContact CZ-ND2 3.38Å; S603-N606 PolarHBondContact O-N 3.16Å; S603-N606 WeakPolarHBondContact OG-CB 3.45Å; S603-N606 PolarHBondContact OG-N 3.39Å; N606-F609 PolarHBondContact O-N 2.94Å; N606-Q610 WeakPolarHBondContact O-CG 3.29Å; N606-Q610 PolarHBondContact O-N 2.91Å; N606-Q610 PolarHBondContact OD1-NE2 2.99Å
607S89.8Confident89.4Confident49 Ų4958.5 Ų58.534%0.34332%0.315SS..Hα-helixtrans-61.7-47.2176-55.50000111.3S603 F604 E605 F609 Q610 T611S603-S607 PolarHBondContact O-N 3.24Å; S603-S607 PolarHBondContact O-OG 3.42Å; F604-S607 WeakPolarHBondContact O-CB 3.36Å; F604-S607 PolarHBondContact O-N 2.83Å; E605-S607 VanDerWaalsContact C-N 3.32Å; S607-F609 VanDerWaalsContact C-N 3.34Å; S607-F609 PolarHBondContact O-N 3.35Å; S607-Q610 PolarHBondContact O-N 2.85Å; S607-Q610 VanDerWaalsContact O-N 3.12Å; S607-T611 PolarHBondContact O-N 2.83Å; S607-T611 PolarHBondContact O-OG1 3.2Å; S607-T611 VanDerWaalsContact O-OG1 3.1Å
608R89.1Confident89.2Confident9 Ų957.2 Ų57.23%0.03431%0.309CS..Hα-helixtrans-56.9-44.5173.9-76.6176.2167.5178.8-8.6112.7L406 T408 T410 F604 E605 Q610 T611 S612 Y615L406-R608 VanDerWaalsContact CD2-NH1 3.3Å; T408-R608 PolarHBondContact OG1-NH2 2.81Å; T410-R608 PolarHBondContact O-NH1 3.08Å; T410-R608 PolarHBondContact O-NH2 3.08Å; F604-R608 VanDerWaalsContact CZ-NE 3.27Å; F604-R608 WeakPolarHBondContact O-CG 3.1Å; F604-R608 PolarHBondContact O-N 3.23Å; E605-R608 PolarHBondContact O-N 3.44Å; E605-R608 IonicContact OE1-NH1 3.33Å; E605-R608 PolarHBondContact OE1-NH1 3.06Å; E605-R608 IonicContact OE2-NH1 4Å; R608-Q610 VanDerWaalsContact C-N 3.3Å; R608-Q610 PolarHBondContact O-N 3.4Å; R608-T611 PolarHBondContact O-N 3.18Å; R608-T611 PolarHBondContact O-OG1 3.16Å; R608-S612 VanDerWaalsContact O-CB 3.27Å; R608-S612 WeakPolarHBondContact O-CB 3.44Å; R608-S612 PolarHBondContact O-N 3.39Å; R608-Y615 HydrophobicContact CB-CD2 4.06Å; R608-Y615 HydrophobicContact CB-CE2 4.11Å
609F91.1Very high89.3Confident57 Ų5754.2 Ų54.225%0.2530%0.297CS..Hα-helixtrans-61.2-38.9176.7168-96.7000112.3F561 E605 N606 S607 Y615 R616 L619F561-F609 HydrophobicContact CB-CB 4.3Å; F561-F609 HydrophobicContact CD1-CB 3.74Å; F561-F609 AromaticContact CD1-CD1 3.65Å; F561-F609 HydrophobicContact CD1-CD1 3.65Å; F561-F609 AromaticContact CD1-CD2 3.99Å; F561-F609 HydrophobicContact CD1-CD2 3.99Å; F561-F609 HydrophobicContact CD1-CE1 4.24Å; F561-F609 AromaticContact CD1-CG 3.5Å; F561-F609 HydrophobicContact CD1-CG 3.5Å; F561-F609 AromaticContact CE1-CD1 3.64Å; F561-F609 HydrophobicContact CE1-CD1 3.64Å; F561-F609 HydrophobicContact CE1-CD2 4.48Å; F561-F609 AromaticContact CE1-CE1 3.86Å; F561-F609 HydrophobicContact CE1-CE1 3.86Å; F561-F609 AromaticContact CE1-CG 3.98Å; F561-F609 HydrophobicContact CE1-CG 3.98Å; F561-F609 HydrophobicContact CE1-CZ 4.37Å; F561-F609 HydrophobicContact CG-CB 4.37Å; E605-F609 WeakPolarHBondContact O-CB 3.23Å; E605-F609 PolarHBondContact O-N 3.05Å; N606-F609 PolarHBondContact O-N 2.94Å; S607-F609 VanDerWaalsContact C-N 3.34Å; S607-F609 PolarHBondContact O-N 3.35Å; F609-Y615 HydrophobicContact CB-CD1 4.02Å; F609-Y615 HydrophobicContact CB-CE1 3.86Å; F609-Y615 AromaticContact CD2-CD1 3.76Å; F609-Y615 HydrophobicContact CD2-CD1 3.76Å; F609-Y615 AromaticContact CD2-CE1 3.79Å; F609-Y615 HydrophobicContact CD2-CE1 3.79Å; F609-Y615 HydrophobicContact CG-CD1 4.39Å; F609-Y615 HydrophobicContact CG-CE1 4.32Å; F609-R616 HydrophobicContact CD2-CG 3.93Å; F609-R616 HydrophobicContact CE2-CG 3.73Å; F609-R616 HydrophobicContact CZ-CG 4.3Å; F609-R616 WeakPolarHBondContact O-CG 3.22Å; F609-R616 PolarHBondContact O-NH1 2.87Å; F609-L619 HydrophobicContact CD2-CD1 3.7Å; F609-L619 HydrophobicContact CE2-CD1 3.73Å
610Q89.5Confident89.4Confident121 Ų12157.5 Ų57.557%0.56532%0.317SS*.Hα-helixtrans-73-35.7179.8-71.4-17813.500112.8N606 S607 R608 R616N606-Q610 WeakPolarHBondContact O-CG 3.29Å; N606-Q610 PolarHBondContact O-N 2.91Å; N606-Q610 PolarHBondContact OD1-NE2 2.99Å; S607-Q610 PolarHBondContact O-N 2.85Å; S607-Q610 VanDerWaalsContact O-N 3.12Å; R608-Q610 VanDerWaalsContact C-N 3.3Å; R608-Q610 PolarHBondContact O-N 3.4Å; Q610-R616 PolarHBondContact O-NH1 3.44Å
611T89.7Confident89.7Confident103 Ų10356.6 Ų56.663%0.63231%0.314SS*.Hα-helixtrans-90.2-36.9-176.157.60000113.4S607 R608S607-T611 PolarHBondContact O-N 2.83Å; S607-T611 PolarHBondContact O-OG1 3.2Å; S607-T611 VanDerWaalsContact O-OG1 3.1Å; R608-T611 PolarHBondContact O-N 3.18Å; R608-T611 PolarHBondContact O-OG1 3.16Å
612S89.2Confident89.9Confident13 Ų1352.9 Ų52.99%0.09128%0.283CS..  trans-91.4114.3-172.8179.10000113R608 L614 Y615 R616R608-S612 VanDerWaalsContact O-CB 3.27Å; R608-S612 WeakPolarHBondContact O-CB 3.44Å; R608-S612 PolarHBondContact O-N 3.39Å; S612-L614 VanDerWaalsContact C-N 3.29Å; S612-L614 PolarHBondContact O-N 2.66Å; S612-Y615 WeakPolarHBondContact O-CB 3.37Å; S612-Y615 PolarHBondContact O-N 3.39Å; S612-Y615 PolarHBondContact OG-N 2.84Å; S612-Y615 VanDerWaalsContact OG-N 3.11Å; S612-R616 PolarHBondContact O-N 2.8Å
613S89.4Confident90.2Very high85 Ų8551.1 Ų51.159%0.59426%0.264SS*.Hα-helixtrans-66.4-33172.2620000112.2R616 R617S613-R616 PolarHBondContact O-N 2.76Å; S613-R617 WeakPolarHBondContact O-CB 3.32Å; S613-R617 PolarHBondContact O-N 2.75Å
614L87.5Confident90.3Very high33 Ų3350.2 Ų50.217%0.17326%0.262CS..Hα-helixtrans-67.8-40.1177.2-170.366.7000111.2V298 N403 V405 S612 R616 R617 C618V298-L614 HydrophobicContact CG1-CD1 4.08Å; N403-L614 VanDerWaalsContact O-CD2 3.23Å; N403-L614 WeakPolarHBondContact O-CD2 3.28Å; V405-L614 HydrophobicContact CG2-CB 4.18Å; V405-L614 HydrophobicContact CG2-CD2 3.62Å; V405-L614 HydrophobicContact CG2-CG 3.62Å; S612-L614 VanDerWaalsContact C-N 3.29Å; S612-L614 PolarHBondContact O-N 2.66Å; L614-R616 PolarHBondContact O-N 2.77Å; L614-R617 PolarHBondContact O-N 3.2Å; L614-C618 WeakPolarHBondContact O-CB 3.45Å; L614-C618 PolarHBondContact O-N 3.35Å
615Y91Very high90.5Very high0 Ų047.4 Ų47.40%025%0.25CS..Hα-helixtrans-53.5-53.5171.6-168.4-66.5000110.7F302 V405 F412 F561 R608 F609 S612 R617 C618 L619F302-Y615 HydrophobicContact CE1-CE1 4.47Å; F302-Y615 HydrophobicContact CE2-CD2 4.43Å; F302-Y615 HydrophobicContact CE2-CG 4.43Å; F302-Y615 HydrophobicContact CZ-CD1 4.01Å; F302-Y615 HydrophobicContact CZ-CD2 4.07Å; F302-Y615 AromaticContact CZ-CE1 3.76Å; F302-Y615 HydrophobicContact CZ-CE1 3.76Å; F302-Y615 AromaticContact CZ-CE2 3.86Å; F302-Y615 HydrophobicContact CZ-CE2 3.86Å; F302-Y615 HydrophobicContact CZ-CG 4.12Å; F302-Y615 AromaticContact CZ-CZ 3.64Å; V405-Y615 HydrophobicContact CG1-CD2 3.52Å; V405-Y615 HydrophobicContact CG1-CG 3.91Å; F412-Y615 HydrophobicContact CD1-CE2 4.38Å; F412-Y615 HydrophobicContact CE1-CD2 4.16Å; F412-Y615 AromaticContact CE1-CE2 3.59Å; F412-Y615 HydrophobicContact CE1-CE2 3.59Å; F561-Y615 PolarHBondContact N-OH 3.36Å; F561-Y615 WeakPolarHBondContact O-CE1 3.16Å; F561-Y615 PolarHBondContact O-OH 3.06Å; R608-Y615 HydrophobicContact CB-CD2 4.06Å; R608-Y615 HydrophobicContact CB-CE2 4.11Å; F609-Y615 HydrophobicContact CB-CD1 4.02Å; F609-Y615 HydrophobicContact CB-CE1 3.86Å; F609-Y615 AromaticContact CD2-CD1 3.76Å; F609-Y615 HydrophobicContact CD2-CD1 3.76Å; F609-Y615 AromaticContact CD2-CE1 3.79Å; F609-Y615 HydrophobicContact CD2-CE1 3.79Å; F609-Y615 HydrophobicContact CG-CD1 4.39Å; F609-Y615 HydrophobicContact CG-CE1 4.32Å; S612-Y615 WeakPolarHBondContact O-CB 3.37Å; S612-Y615 PolarHBondContact O-N 3.39Å; S612-Y615 PolarHBondContact OG-N 2.84Å; S612-Y615 VanDerWaalsContact OG-N 3.11Å; Y615-R617 PolarHBondContact O-N 3.47Å; Y615-C618 PolarHBondContact O-N 3.45Å; Y615-L619 HydrophobicContact CD1-CD1 3.97Å; Y615-L619 HydrophobicContact CD1-CG 4Å; Y615-L619 HydrophobicContact CE1-CD1 3.57Å; Y615-L619 HydrophobicContact CE1-CD2 4.29Å; Y615-L619 HydrophobicContact CE1-CG 3.75Å; Y615-L619 PolarHBondContact O-N 3.02Å
616R91.6Very high90.6Very high95 Ų9547 Ų4736%0.35825%0.248SC..Hα-helixtrans-61.8-43.8-179.8-67.7-171.3-69.5-92.27.6112.2F609 Q610 S612 S613 L614 C618 L619 T620F609-R616 HydrophobicContact CD2-CG 3.93Å; F609-R616 HydrophobicContact CE2-CG 3.73Å; F609-R616 HydrophobicContact CZ-CG 4.3Å; F609-R616 WeakPolarHBondContact O-CG 3.22Å; F609-R616 PolarHBondContact O-NH1 2.87Å; Q610-R616 PolarHBondContact O-NH1 3.44Å; S612-R616 PolarHBondContact O-N 2.8Å; S613-R616 PolarHBondContact O-N 2.76Å; L614-R616 PolarHBondContact O-N 2.77Å; R616-C618 VanDerWaalsContact C-N 3.27Å; R616-C618 PolarHBondContact O-N 3.03Å; R616-L619 PolarHBondContact O-N 3.01Å; R616-T620 PolarHBondContact O-N 3.31Å; R616-T620 PolarHBondContact O-OG1 3.45Å
617R91Very high90.5Very high154 Ų15448 Ų4858%0.58125%0.253SS*.Hα-helixtrans-57.5-43175.6-176.4-179.9-178.9-172.50.6111.1S613 L614 Y615 T620 L621S613-R617 WeakPolarHBondContact O-CB 3.32Å; S613-R617 PolarHBondContact O-N 2.75Å; L614-R617 PolarHBondContact O-N 3.2Å; Y615-R617 PolarHBondContact O-N 3.47Å; R617-T620 PolarHBondContact O-N 3.36Å; R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.5Å; R617-L621 VanDerWaalsContact O-N 3.11Å
618C91.2Very high90.5Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-66.9-43179-91.40000113.8V298 C299 F302 L614 Y615 R616 T620 L621 L622V298-C618 PolarHBondContact O-SG 2.89Å; C299-C618 WeakPolarHBondContact CA-SG 3.29Å; C299-C618 HydrophobicContact CB-CB 3.91Å; C299-C618 WeakPolarHBondContact CB-SG 3.45Å; C299-C618 WeakPolarHBondContact SG-CA 3.12Å; C299-C618 WeakPolarHBondContact SG-CB 3.46Å; C299-C618 CovalentContact SG-SG 2.06Å; C299-C618 PolarHBondContact SG-SG 3.34Å; F302-C618 HydrophobicContact CD2-CB 3.9Å; F302-C618 HydrophobicContact CE2-CB 3.79Å; L614-C618 WeakPolarHBondContact O-CB 3.45Å; L614-C618 PolarHBondContact O-N 3.35Å; Y615-C618 PolarHBondContact O-N 3.45Å; R616-C618 VanDerWaalsContact C-N 3.27Å; R616-C618 PolarHBondContact O-N 3.03Å; C618-T620 VanDerWaalsContact C-N 3.29Å; C618-T620 PolarHBondContact O-N 3.07Å; C618-L621 PolarHBondContact O-N 2.82Å; C618-L621 VanDerWaalsContact O-N 3.17Å; C618-L622 WeakPolarHBondContact O-CG 3.3Å; C618-L622 PolarHBondContact O-N 2.92Å
619L92.4Very high90.5Very high1 Ų154.3 Ų54.31%0.00528%0.277CS..Hα-helixtrans-57.1-42.3172.5-81-168.7000112.7F302 F561 F609 Y615 R616 L621 L622 K623F302-L619 HydrophobicContact CE1-CD2 3.87Å; F302-L619 HydrophobicContact CZ-CD2 4.09Å; F302-L619 HydrophobicContact CZ-CG 4.34Å; F561-L619 WeakPolarHBondContact O-CD1 3.24Å; F609-L619 HydrophobicContact CD2-CD1 3.7Å; F609-L619 HydrophobicContact CE2-CD1 3.73Å; Y615-L619 HydrophobicContact CD1-CD1 3.97Å; Y615-L619 HydrophobicContact CD1-CG 4Å; Y615-L619 HydrophobicContact CE1-CD1 3.57Å; Y615-L619 HydrophobicContact CE1-CD2 4.29Å; Y615-L619 HydrophobicContact CE1-CG 3.75Å; Y615-L619 PolarHBondContact O-N 3.02Å; R616-L619 PolarHBondContact O-N 3.01Å; L619-L621 VanDerWaalsContact C-N 3.34Å; L619-L621 PolarHBondContact O-N 3.41Å; L619-L622 PolarHBondContact O-N 2.94Å; L619-K623 WeakPolarHBondContact O-CB 3.48Å; L619-K623 PolarHBondContact O-N 3.37Å
620T91.3Very high90.2Very high94 Ų9451.9 Ų51.958%0.57727%0.267SS*.Hα-helixtrans-61.6-42.8176.4-58.50000111.7R616 R617 C618 G624R616-T620 PolarHBondContact O-N 3.31Å; R616-T620 PolarHBondContact O-OG1 3.45Å; R617-T620 PolarHBondContact O-N 3.36Å; C618-T620 VanDerWaalsContact C-N 3.29Å; C618-T620 PolarHBondContact O-N 3.07Å; T620-G624 PolarHBondContact O-N 3.22Å
621L91.5Very high89.9Confident47 Ų4748.5 Ų48.525%0.24626%0.259CS..Hα-helixtrans-64-47.9176.6-69.9172.9000111.6V298 R617 C618 L619 K623 G624 E625V298-L621 HydrophobicContact CB-CD1 4.43Å; V298-L621 HydrophobicContact CG1-CD1 4.1Å; R617-L621 WeakPolarHBondContact O-CG 3.47Å; R617-L621 PolarHBondContact O-N 3.5Å; R617-L621 VanDerWaalsContact O-N 3.11Å; C618-L621 PolarHBondContact O-N 2.82Å; C618-L621 VanDerWaalsContact O-N 3.17Å; L619-L621 VanDerWaalsContact C-N 3.34Å; L619-L621 PolarHBondContact O-N 3.41Å; L621-K623 PolarHBondContact O-N 3.35Å; L621-G624 PolarHBondContact O-N 3.36Å; L621-G624 VanDerWaalsContact O-N 3.15Å; L621-E625 WeakPolarHBondContact O-CG 3.44Å; L621-E625 PolarHBondContact O-N 3.45Å
622L92.6Very high89.6Confident2 Ų249.1 Ų49.11%0.0125%0.253CS..Hα-helixtrans-62.7-40.3178.7-69.1173.4000112.1F302 F558 C618 L619 E625 F626F302-L622 HydrophobicContact CB-CD1 3.87Å; F302-L622 HydrophobicContact CD1-CD1 3.78Å; F302-L622 HydrophobicContact CE1-CD1 4.49Å; F302-L622 HydrophobicContact CG-CD1 3.82Å; F558-L622 HydrophobicContact CE1-CB 3.9Å; C618-L622 WeakPolarHBondContact O-CG 3.3Å; C618-L622 PolarHBondContact O-N 2.92Å; L619-L622 PolarHBondContact O-N 2.94Å; L622-E625 PolarHBondContact O-N 2.91Å; L622-F626 WeakPolarHBondContact O-CB 3.46Å; L622-F626 PolarHBondContact O-N 2.82Å
623K91.6Very high89.1Confident25 Ų2551.8 Ų51.811%0.10927%0.265CS..Hα-helixtrans-59.4-46.8172.2-173-173.2-170.6173.60110.8M539 D540 W563 L619 L621 E625 F626 M627M539-K623 PolarHBondContact O-NZ 2.99Å; D540-K623 IonicContact OD1-NZ 3.2Å; D540-K623 PolarHBondContact OD1-NZ 3.37Å; W563-K623 HydrophobicContact CD2-CD 3.68Å; W563-K623 HydrophobicContact CD2-CG 4.26Å; W563-K623 HydrophobicContact CE3-CD 3.85Å; W563-K623 HydrophobicContact CG-CB 4.31Å; W563-K623 HydrophobicContact CG-CD 4.34Å; W563-K623 HydrophobicContact CG-CG 4.45Å; W563-K623 HydrophobicContact CH2-CD 3.99Å; W563-K623 HydrophobicContact CZ2-CD 3.75Å; W563-K623 HydrophobicContact CZ3-CD 4.03Å; L619-K623 WeakPolarHBondContact O-CB 3.48Å; L619-K623 PolarHBondContact O-N 3.37Å; L621-K623 PolarHBondContact O-N 3.35Å; K623-E625 VanDerWaalsContact C-N 3.35Å; K623-E625 PolarHBondContact O-N 2.93Å; K623-F626 PolarHBondContact O-N 3.21Å; K623-M627 HydrophobicContact CD-SD 4.43Å; K623-M627 HydrophobicContact CG-SD 4.04Å; K623-M627 VanDerWaalsContact O-CG 3.28Å; K623-M627 WeakPolarHBondContact O-CG 3.38Å; K623-M627 PolarHBondContact O-N 3.32Å
624G90.6Very high88.3Confident30 Ų3049.1 Ų49.131%0.30924%0.242SC..Hα-helixtrans-62.7-38.2178.200000113.4T620 L621 K628T620-G624 PolarHBondContact O-N 3.22Å; L621-G624 PolarHBondContact O-N 3.36Å; L621-G624 VanDerWaalsContact O-N 3.15Å; G624-K628 VanDerWaalsContact O-CG 3.3Å; G624-K628 WeakPolarHBondContact O-CG 3.38Å; G624-K628 PolarHBondContact O-N 3.28Å
625E90.9Very high87.5Confident33 Ų3353 Ų5315%0.15426%0.262CS..Hα-helixtrans-64.2-49.7172.7-74173.7-159.600111.5R303 L621 L622 K623 M627 K628 D629R303-E625 IonicContact CZ-OE1 2.86Å; R303-E625 IonicContact CZ-OE2 4Å; R303-E625 IonicContact NH1-OE2 3.71Å; R303-E625 PolarHBondContact NH1-OE2 2.64Å; R303-E625 VanDerWaalsContact NH1-OE2 3.12Å; R303-E625 IonicContact NH2-OE1 3Å; R303-E625 PolarHBondContact NH2-OE1 3.21Å; R303-E625 IonicContact NH2-OE2 3.62Å; R303-E625 PolarHBondContact NH2-OE2 3.37Å; L621-E625 WeakPolarHBondContact O-CG 3.44Å; L621-E625 PolarHBondContact O-N 3.45Å; L622-E625 PolarHBondContact O-N 2.91Å; K623-E625 VanDerWaalsContact C-N 3.35Å; K623-E625 PolarHBondContact O-N 2.93Å; E625-M627 VanDerWaalsContact C-N 3.33Å; E625-M627 PolarHBondContact O-N 2.49Å; E625-K628 WeakPolarHBondContact O-CB 3.08Å; E625-K628 PolarHBondContact O-N 2.88Å; E625-K628 VanDerWaalsContact O-N 3.09Å; E625-D629 PolarHBondContact O-N 3.1Å
626F91.8Very high86.5Confident4 Ų462.4 Ų62.42%0.01830%0.297CS..Hα-helixtrans-56.3-45.9177.7175.2-106.6000112.1D555 F558 S567 M570 Q571 L622 K623 K628 D629 L630D555-F626 HydrophobicContact CB-CD2 4.23Å; D555-F626 HydrophobicContact CB-CE2 3.95Å; D555-F626 VanDerWaalsContact OD2-CD2 3.31Å; D555-F626 WeakPolarHBondContact OD2-CD2 3.35Å; F558-F626 HydrophobicContact CE2-CB 4.07Å; F558-F626 HydrophobicContact CE2-CD1 4.31Å; F558-F626 HydrophobicContact CE2-CD2 4.17Å; F558-F626 AromaticContact CE2-CG 3.92Å; F558-F626 HydrophobicContact CE2-CG 3.92Å; F558-F626 HydrophobicContact CZ-CB 3.82Å; F558-F626 HydrophobicContact CZ-CD1 4.44Å; F558-F626 HydrophobicContact CZ-CG 4.1Å; S567-F626 WeakPolarHBondContact O-CE1 3.49Å; S567-F626 WeakPolarHBondContact O-CZ 3.48Å; M570-F626 HydrophobicContact CB-CE1 3.9Å; M570-F626 HydrophobicContact SD-CD1 4.17Å; M570-F626 HydrophobicContact SD-CE1 3.91Å; Q571-F626 HydrophobicContact CB-CZ 4.34Å; L622-F626 WeakPolarHBondContact O-CB 3.46Å; L622-F626 PolarHBondContact O-N 2.82Å; K623-F626 PolarHBondContact O-N 3.21Å; F626-K628 VanDerWaalsContact C-N 3.32Å; F626-K628 PolarHBondContact O-N 3.17Å; F626-D629 PolarHBondContact O-N 2.66Å; F626-D629 VanDerWaalsContact O-N 3.16Å; F626-L630 HydrophobicContact CD1-CD1 3.97Å; F626-L630 HydrophobicContact CD1-CG 4.48Å; F626-L630 HydrophobicContact CE1-CD1 3.34Å; F626-L630 HydrophobicContact CE1-CG 4.02Å; F626-L630 HydrophobicContact CE2-CD1 4.39Å; F626-L630 HydrophobicContact CE2-CD2 4.48Å; F626-L630 HydrophobicContact CE2-CG 4.21Å; F626-L630 HydrophobicContact CZ-CD1 3.58Å; F626-L630 HydrophobicContact CZ-CD2 4.16Å; F626-L630 HydrophobicContact CZ-CG 3.87Å; F626-L630 PolarHBondContact O-N 3.3Å
627M88.9Confident85.2Confident52 Ų5261.6 Ų61.626%0.25630%0.298SS..Hα-helixtrans-62.5-36.6176.9-71.2174.458.500112.9L536 M539 K623 E625 A631L536-M627 HydrophobicContact CD1-CE 3.36Å; M539-M627 HydrophobicContact SD-CE 4.13Å; K623-M627 HydrophobicContact CD-SD 4.43Å; K623-M627 HydrophobicContact CG-SD 4.04Å; K623-M627 VanDerWaalsContact O-CG 3.28Å; K623-M627 WeakPolarHBondContact O-CG 3.38Å; K623-M627 PolarHBondContact O-N 3.32Å; E625-M627 VanDerWaalsContact C-N 3.33Å; E625-M627 PolarHBondContact O-N 2.49Å; M627-A631 WeakPolarHBondContact O-CB 3.46Å; M627-A631 PolarHBondContact O-N 3.14Å
628K89.1Confident83.7Confident129 Ų12961.3 Ų61.356%0.56130%0.3SS*.Hα-helixtrans-67.9-39174.5-73.5171-177178.10111.6G624 E625 F626 A631 K632G624-K628 VanDerWaalsContact O-CG 3.3Å; G624-K628 WeakPolarHBondContact O-CG 3.38Å; G624-K628 PolarHBondContact O-N 3.28Å; E625-K628 WeakPolarHBondContact O-CB 3.08Å; E625-K628 PolarHBondContact O-N 2.88Å; E625-K628 VanDerWaalsContact O-N 3.09Å; F626-K628 VanDerWaalsContact C-N 3.32Å; F626-K628 PolarHBondContact O-N 3.17Å; K628-A631 PolarHBondContact O-N 3.26Å; K628-K632 WeakPolarHBondContact O-CG 3.44Å; K628-K632 PolarHBondContact O-N 3.2Å
629D89Confident82Confident63 Ų6369.8 Ų69.834%0.33735%0.352SS..Hα-helixtrans-66.4-44178-65.6-23.3000110.9R557 E625 F626 A631 K632 Q633R557-D629 IonicContact CZ-OD2 3.43Å; R557-D629 IonicContact NH1-OD2 3.85Å; R557-D629 PolarHBondContact NH1-OD2 3.13Å; R557-D629 IonicContact NH2-OD2 2.74Å; R557-D629 PolarHBondContact NH2-OD2 3.43Å; E625-D629 PolarHBondContact O-N 3.1Å; F626-D629 PolarHBondContact O-N 2.66Å; F626-D629 VanDerWaalsContact O-N 3.16Å; D629-A631 PolarHBondContact O-N 3.37Å; D629-K632 PolarHBondContact O-N 3.35Å; D629-K632 IonicContact OD1-NZ 3.27Å; D629-Q633 PolarHBondContact O-N 2.97Å
630L85.6Confident81.5Confident6 Ų673.2 Ų73.23%0.03137%0.369CS..Hα-helixtrans-55.4-47.9171.3-78.6-178.5000112.3M570 A574 F626 K632 Q633 R634M570-L630 HydrophobicContact CB-CD1 3.99Å; A574-L630 HydrophobicContact CB-CD1 4.44Å; A574-L630 HydrophobicContact CB-CD2 3.87Å; F626-L630 HydrophobicContact CD1-CD1 3.97Å; F626-L630 HydrophobicContact CD1-CG 4.48Å; F626-L630 HydrophobicContact CE1-CD1 3.34Å; F626-L630 HydrophobicContact CE1-CG 4.02Å; F626-L630 HydrophobicContact CE2-CD1 4.39Å; F626-L630 HydrophobicContact CE2-CD2 4.48Å; F626-L630 HydrophobicContact CE2-CG 4.21Å; F626-L630 HydrophobicContact CZ-CD1 3.58Å; F626-L630 HydrophobicContact CZ-CD2 4.16Å; F626-L630 HydrophobicContact CZ-CG 3.87Å; F626-L630 PolarHBondContact O-N 3.3Å; L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 2.88Å; L630-Q633 PolarHBondContact O-N 2.93Å; L630-R634 WeakPolarHBondContact O-CG 3.36Å; L630-R634 PolarHBondContact O-N 3.12Å
631A83.2Confident81Confident49 Ų4972.1 Ų72.141%0.40536%0.358SS..Hα-helixtrans-62.3-39178.800000112.3M627 K628 D629 R634 L635M627-A631 WeakPolarHBondContact O-CB 3.46Å; M627-A631 PolarHBondContact O-N 3.14Å; K628-A631 PolarHBondContact O-N 3.26Å; D629-A631 PolarHBondContact O-N 3.37Å; A631-R634 PolarHBondContact O-N 3.49Å; A631-L635 WeakPolarHBondContact O-CG 3.42Å; A631-L635 PolarHBondContact O-N 2.89Å
632K83.5Confident80.4Confident116 Ų11673.5 Ų73.550%0.50436%0.364SS..Hα-helixtrans-67-42175.3-72.8170.6-173166.40112.3K628 D629 L630 R634 L635 R636K628-K632 WeakPolarHBondContact O-CG 3.44Å; K628-K632 PolarHBondContact O-N 3.2Å; D629-K632 PolarHBondContact O-N 3.35Å; D629-K632 IonicContact OD1-NZ 3.27Å; L630-K632 VanDerWaalsContact C-N 3.32Å; L630-K632 PolarHBondContact O-N 2.88Å; K632-R634 VanDerWaalsContact C-N 3.32Å; K632-L635 PolarHBondContact O-N 3.02Å; K632-R636 WeakPolarHBondContact O-CG 3.36Å; K632-R636 PolarHBondContact O-N 3.28Å
633Q78.3Confident79.7Confident70 Ų7077.7 Ų77.733%0.32739%0.385SS..Hα-helixtrans-58.5-47.9175.7-176.3178.7-3.600109.9D629 L630 L635 R636 E637D629-Q633 PolarHBondContact O-N 2.97Å; L630-Q633 PolarHBondContact O-N 2.93Å; Q633-L635 VanDerWaalsContact C-N 3.29Å; Q633-L635 PolarHBondContact O-N 2.72Å; Q633-R636 PolarHBondContact O-N 3.25Å; Q633-E637 HydrophobicContact CG-CG 4.48Å; Q633-E637 WeakPolarHBondContact CG-OE1 3.44Å; Q633-E637 PolarHBondContact NE2-OE1 2.99Å; Q633-E637 VanDerWaalsContact NE2-OE1 3.07Å; Q633-E637 WeakPolarHBondContact O-CG 3.29Å; Q633-E637 PolarHBondContact O-N 3.32Å
634R71.3Confident79Confident29 Ų2981 Ų8111%0.10940%0.402CS..Hα-helixtrans-56.5-39.2174.6-72.8-177179.9179.68.1113.2A535 D573 A574 V578 L630 A631 K632 K638A535-R634 PolarHBondContact O-NH1 3.34Å; D573-R634 IonicContact OD2-NH2 2.78Å; A574-R634 VanDerWaalsContact CA-NE 3.32Å; A574-R634 HydrophobicContact CB-CG 4.48Å; A574-R634 VanDerWaalsContact CB-NE 3.26Å; A574-R634 VanDerWaalsContact CB-NH2 3.34Å; V578-R634 HydrophobicContact CG2-CB 4.37Å; V578-R634 HydrophobicContact CG2-CG 4.38Å; L630-R634 WeakPolarHBondContact O-CG 3.36Å; L630-R634 PolarHBondContact O-N 3.12Å; A631-R634 PolarHBondContact O-N 3.49Å; K632-R634 VanDerWaalsContact C-N 3.32Å; R634-K638 WeakPolarHBondContact O-CG 3.48Å
635L71.7Confident78.2Confident114 Ų11484.4 Ų84.460%0.59741%0.409SS*.Hα-helixtrans-70.3-41.5178.2-75.3170.3000112.5A631 K632 Q633 E637 K638A631-L635 WeakPolarHBondContact O-CG 3.42Å; A631-L635 PolarHBondContact O-N 2.89Å; K632-L635 PolarHBondContact O-N 3.02Å; Q633-L635 VanDerWaalsContact C-N 3.29Å; Q633-L635 PolarHBondContact O-N 2.72Å; L635-E637 VanDerWaalsContact C-N 3.33Å; L635-E637 PolarHBondContact O-N 3.29Å; L635-K638 PolarHBondContact O-N 3.38Å
636R68.7Low77.3Confident197 Ų19788.1 Ų88.174%0.74343%0.427SS*.Hα-helixtrans-64.6-37.2-179-76.9179.8179.2-179.7-0.8113K632 Q633 K638 V639K632-R636 WeakPolarHBondContact O-CG 3.36Å; K632-R636 PolarHBondContact O-N 3.28Å; Q633-R636 PolarHBondContact O-N 3.25Å; R636-K638 VanDerWaalsContact C-N 3.31Å; R636-V639 VanDerWaalsContact O-OXT 3.14Å
637E66.1Low76.2Confident79 Ų7994.5 Ų94.537%0.36946%0.458SS..THydrogen-bonded Turntrans-86.2-5.3-176.5-55.8168.3160.400112.7V578 Q633 L635V578-E637 HydrophobicContact CB-CB 4.1Å; V578-E637 WeakPolarHBondContact CB-OE2 3.47Å; V578-E637 HydrophobicContact CG1-CB 2.99Å; V578-E637 HydrophobicContact CG1-CG 3.93Å; V578-E637 WeakPolarHBondContact CG1-OE2 3.48Å; V578-E637 HydrophobicContact CG2-CB 4.09Å; V578-E637 VanDerWaalsContact CG2-OE2 3.31Å; V578-E637 WeakPolarHBondContact CG2-OE2 3.34Å; Q633-E637 HydrophobicContact CG-CG 4.48Å; Q633-E637 WeakPolarHBondContact CG-OE1 3.44Å; Q633-E637 PolarHBondContact NE2-OE1 2.99Å; Q633-E637 VanDerWaalsContact NE2-OE1 3.07Å; Q633-E637 WeakPolarHBondContact O-CG 3.29Å; Q633-E637 PolarHBondContact O-N 3.32Å; L635-E637 VanDerWaalsContact C-N 3.33Å; L635-E637 PolarHBondContact O-N 3.29Å
638K59.6Low75.1Confident147 Ų14798.1 Ų98.164%0.63948%0.475SS*.THydrogen-bonded Turntrans-85.5-21169.2-81-178.2178.6-171.90113.3R634 L635 R636R634-K638 WeakPolarHBondContact O-CG 3.48Å; L635-K638 PolarHBondContact O-N 3.38Å; R636-K638 VanDerWaalsContact C-N 3.31Å
639V55.2Low73.8Confident178 Ų17895.3 Ų95.3100%1.07947%0.467SS*.  trans-88.90172.9-179.20000107.8R636R636-V639 VanDerWaalsContact O-OXT 3.14Å

Retrieved 639 of 639 residues in 235 ms (Link to these results)

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