A0A5K4F5V3_SCHMA Loading...

Glycosyltransferase-related AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5V3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M88Confident92.5Very high49 Ų4913 Ų1324%0.2416%0.064CC..  0-59.50-158.668.3-143.900113.7A3 L4 I5 F54 F64 T125M1-A3 PolarHBondContact O-N 3.06Å; M1-L4 HydrophobicContact CE-CD2 3.91Å; M1-L4 HydrophobicContact CE-CG 4.33Å; M1-L4 WeakPolarHBondContact O-CA 3.26Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.08Å; M1-L4 HydrophobicContact SD-CD2 4.14Å; M1-I5 HydrophobicContact CE-CD1 3.85Å; M1-I5 HydrophobicContact CE-CG1 3.51Å; M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 HydrophobicContact CG-CG1 4.41Å; M1-I5 PolarHBondContact O-N 3.29Å; M1-F54 HydrophobicContact CE-CE1 3.59Å; M1-F54 HydrophobicContact CE-CZ 4.16Å; M1-F54 HydrophobicContact CG-CE1 4.32Å; M1-F54 HydrophobicContact SD-CE1 4.06Å; M1-F64 HydrophobicContact CB-CE1 4.15Å; M1-F64 HydrophobicContact CB-CZ 3.72Å; M1-F64 HydrophobicContact CG-CE1 4.13Å; M1-F64 HydrophobicContact CG-CE2 4.01Å; M1-F64 HydrophobicContact CG-CZ 3.52Å; M1-T125 HydrophobicContact SD-CG2 4.2Å
2D91.2Very high92.2Very high44 Ų4412 Ų1224%0.2356%0.059CC..Hα-helixtrans-55.4-51-178.4176.362000112.7L4 I5 K6 Q311D2-L4 VanDerWaalsContact C-N 3.29Å; D2-L4 PolarHBondContact O-N 2.04Å; D2-I5 PolarHBondContact O-N 3.36Å; D2-K6 WeakPolarHBondContact O-CG 2.92Å; D2-K6 PolarHBondContact O-N 2.85Å; D2-K6 WeakPolarHBondContact OD1-CE 3.45Å; D2-K6 IonicContact OD1-NZ 2.74Å; D2-K6 WeakPolarHBondContact OD2-CE 3.34Å; D2-K6 IonicContact OD2-NZ 3.39Å; D2-K6 PolarHBondContact OD2-NZ 3.01Å; D2-Q311 PolarHBondContact OD1-NE2 3.14Å
3A93.1Very high91.8Very high3 Ų316.7 Ų16.73%0.0258%0.079CC..Hα-helixtrans-57.7-39.2174.400000113.1M1 K6 S7 Y303M1-A3 PolarHBondContact O-N 3.06Å; A3-K6 PolarHBondContact O-N 3.33Å; A3-S7 WeakPolarHBondContact O-CB 3.26Å; A3-S7 PolarHBondContact O-N 3.05Å; A3-S7 PolarHBondContact O-OG 3.02Å; A3-Y303 HydrophobicContact CB-CD2 3.93Å; A3-Y303 HydrophobicContact CB-CE2 3.58Å
4L94.9Very high91.6Very high4 Ų415.9 Ų15.92%0.0218%0.075CC..Hα-helixtrans-60.4-52.7175.6171.159.1000110.9M1 D2 K6 S7 I8 D124 L127 L129M1-L4 HydrophobicContact CE-CD2 3.91Å; M1-L4 HydrophobicContact CE-CG 4.33Å; M1-L4 WeakPolarHBondContact O-CA 3.26Å; M1-L4 VanDerWaalsContact O-CB 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.08Å; M1-L4 HydrophobicContact SD-CD2 4.14Å; D2-L4 VanDerWaalsContact C-N 3.29Å; D2-L4 PolarHBondContact O-N 2.04Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.84Å; L4-S7 PolarHBondContact O-N 3.31Å; L4-S7 VanDerWaalsContact O-N 3.16Å; L4-S7 PolarHBondContact O-OG 3.42Å; L4-I8 HydrophobicContact CD1-CD1 4.21Å; L4-I8 HydrophobicContact CD1-CG1 4.4Å; L4-I8 HydrophobicContact CG-CD1 4.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 3.47Å; L4-D124 WeakPolarHBondContact CD2-O 2.93Å; L4-L127 HydrophobicContact CD1-CB 3.94Å; L4-L129 HydrophobicContact CD1-CD1 3.16Å
5I94.6Very high91.5Very high0 Ų015.3 Ų15.30%07%0.072CC..Hα-helixtrans-61.4-43.2179.4-58.7172.8000110.7M1 D2 S7 I8 L9 F52 F54 M67 W71 F78M1-I5 HydrophobicContact CE-CD1 3.85Å; M1-I5 HydrophobicContact CE-CG1 3.51Å; M1-I5 HydrophobicContact CG-CD1 4.13Å; M1-I5 HydrophobicContact CG-CG1 4.41Å; M1-I5 PolarHBondContact O-N 3.29Å; D2-I5 PolarHBondContact O-N 3.36Å; I5-S7 VanDerWaalsContact C-N 3.32Å; I5-S7 PolarHBondContact O-N 3.36Å; I5-I8 WeakPolarHBondContact O-CB 3.28Å; I5-I8 PolarHBondContact O-N 3.04Å; I5-L9 HydrophobicContact CG2-CD1 3.86Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.43Å; I5-F52 HydrophobicContact CG1-CZ 4.43Å; I5-F52 HydrophobicContact CG2-CE2 4.12Å; I5-F52 HydrophobicContact CG2-CZ 3.97Å; I5-F54 HydrophobicContact CD1-CZ 4.18Å; I5-M67 HydrophobicContact CD1-CE 3.51Å; I5-W71 HydrophobicContact CB-CH2 3.88Å; I5-W71 HydrophobicContact CB-CZ3 3.85Å; I5-W71 HydrophobicContact CD1-CZ3 4.31Å; I5-W71 HydrophobicContact CG2-CE3 4.49Å; I5-W71 HydrophobicContact CG2-CH2 3.45Å; I5-W71 VanDerWaalsContact CG2-CH2 3.45Å; I5-W71 HydrophobicContact CG2-CZ3 3.39Å; I5-F78 HydrophobicContact CD1-CZ 4.28Å
6K94.2Very high91.3Very high6 Ų621.8 Ų21.83%0.02610%0.096CC..Hα-helixtrans-60.4-40.1176.1-71172.2174.1169.50112.4D2 A3 L4 L9 Y10 W71 Y306 R307 I309 F314D2-K6 WeakPolarHBondContact O-CG 2.92Å; D2-K6 PolarHBondContact O-N 2.85Å; D2-K6 WeakPolarHBondContact OD1-CE 3.45Å; D2-K6 IonicContact OD1-NZ 2.74Å; D2-K6 WeakPolarHBondContact OD2-CE 3.34Å; D2-K6 IonicContact OD2-NZ 3.39Å; D2-K6 PolarHBondContact OD2-NZ 3.01Å; A3-K6 PolarHBondContact O-N 3.33Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 2.84Å; K6-L9 PolarHBondContact O-N 3.5Å; K6-Y10 WeakPolarHBondContact O-CB 3.39Å; K6-Y10 PolarHBondContact O-N 3.44Å; K6-W71 HydrophobicContact CG-CH2 3.65Å; K6-W71 HydrophobicContact CG-CZ2 3.8Å; K6-Y306 HydrophobicContact CB-CD1 3.93Å; K6-Y306 WeakPolarHBondContact CD-O 3.41Å; K6-Y306 PolarHBondContact NZ-O 2.98Å; K6-R307 PolarHBondContact NZ-O 3.28Å; K6-I309 HydrophobicContact CD-CG2 4.1Å; K6-I309 VanDerWaalsContact CE-O 3.3Å; K6-I309 WeakPolarHBondContact CE-O 3.42Å; K6-I309 PolarHBondContact NZ-O 2.87Å; K6-F314 HydrophobicContact CB-CE1 4.21Å; K6-F314 HydrophobicContact CB-CE2 4.04Å; K6-F314 HydrophobicContact CB-CZ 3.76Å; K6-F314 HydrophobicContact CD-CE2 4.04Å; K6-F314 HydrophobicContact CD-CZ 4.46Å; K6-F314 HydrophobicContact CG-CD2 4.14Å; K6-F314 HydrophobicContact CG-CE2 3.71Å; K6-F314 HydrophobicContact CG-CZ 3.99Å; K6-F314 WeakPolarHBondContact O-CE1 3.04Å
7S94.3Very high90.9Very high0 Ų021.5 Ų21.50%010%0.097CC..Hα-helixtrans-65.4-40.4175.873.10000112.2A3 L4 I5 Y10 H11 L129A3-S7 WeakPolarHBondContact O-CB 3.26Å; A3-S7 PolarHBondContact O-N 3.05Å; A3-S7 PolarHBondContact O-OG 3.02Å; L4-S7 PolarHBondContact O-N 3.31Å; L4-S7 VanDerWaalsContact O-N 3.16Å; L4-S7 PolarHBondContact O-OG 3.42Å; I5-S7 VanDerWaalsContact C-N 3.32Å; I5-S7 PolarHBondContact O-N 3.36Å; S7-Y10 PolarHBondContact O-N 3.46Å; S7-H11 PolarHBondContact O-CD2 3.31Å; S7-H11 VanDerWaalsContact O-CD2 3.26Å; S7-H11 PolarHBondContact O-N 3.23Å; S7-H11 VanDerWaalsContact O-N 3.14Å; S7-L129 PolarHBondContact OG-N 2.92Å; S7-L129 VanDerWaalsContact OG-N 3.09Å
8I94Very high90.4Very high3 Ų329.8 Ų29.82%0.01514%0.136CC..Hα-helixtrans-58-52.4172.3-64167.6000110.1L4 I5 Y10 H11 Q12 I50 F52 L123 L129 I133L4-I8 HydrophobicContact CD1-CD1 4.21Å; L4-I8 HydrophobicContact CD1-CG1 4.4Å; L4-I8 HydrophobicContact CG-CD1 4.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.34Å; L4-I8 PolarHBondContact O-N 3.47Å; I5-I8 WeakPolarHBondContact O-CB 3.28Å; I5-I8 PolarHBondContact O-N 3.04Å; I8-Y10 PolarHBondContact O-N 2.82Å; I8-H11 PolarHBondContact O-N 3.43Å; I8-Q12 WeakPolarHBondContact O-CG 3.39Å; I8-Q12 PolarHBondContact O-N 3Å; I8-I50 HydrophobicContact CG2-CD1 3.85Å; I8-F52 HydrophobicContact CD1-CE1 3.78Å; I8-F52 HydrophobicContact CD1-CZ 4.15Å; I8-L123 HydrophobicContact CD1-CD1 4.3Å; I8-L129 HydrophobicContact CB-CD2 4.35Å; I8-L129 HydrophobicContact CD1-CD1 4.26Å; I8-L129 HydrophobicContact CG1-CD1 3.56Å; I8-L129 HydrophobicContact CG1-CD2 3.56Å; I8-L129 HydrophobicContact CG1-CG 4.11Å; I8-I133 HydrophobicContact CG2-CB 4.48Å; I8-I133 HydrophobicContact CG2-CG2 4.02Å
9L92.5Very high90.1Very high0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-61.4-42.5-177.8-72.2170.3000112.4I5 K6 H11 Q12 K13 R14 W71 L73 M76 F314I5-L9 HydrophobicContact CG2-CD1 3.86Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 3.43Å; K6-L9 PolarHBondContact O-N 3.5Å; L9-H11 VanDerWaalsContact C-N 3.34Å; L9-H11 PolarHBondContact O-N 3.29Å; L9-Q12 CarbonylContact O-C 3.57Å; L9-Q12 PolarHBondContact O-N 3.18Å; L9-K13 PolarHBondContact O-N 3.34Å; L9-R14 HydrophobicContact CB-CB 4.14Å; L9-R14 HydrophobicContact CD2-CB 3.84Å; L9-R14 HydrophobicContact CD2-CG 4.28Å; L9-R14 WeakPolarHBondContact O-CB 3.48Å; L9-R14 PolarHBondContact O-N 3.16Å; L9-W71 HydrophobicContact CD1-CH2 3.42Å; L9-W71 VanDerWaalsContact CD1-CH2 3.42Å; L9-W71 HydrophobicContact CD1-CZ2 3.22Å; L9-W71 HydrophobicContact CD1-CZ3 4.31Å; L9-L73 HydrophobicContact CD1-CD1 3.96Å; L9-L73 HydrophobicContact CD1-CD2 3.8Å; L9-L73 HydrophobicContact CD2-CD2 4.32Å; L9-M76 HydrophobicContact CD2-CE 3.34Å; L9-M76 HydrophobicContact CD2-SD 3.54Å; L9-M76 VanDerWaalsContact CD2-SD 3.54Å; L9-M76 HydrophobicContact CG-CE 4.12Å; L9-M76 HydrophobicContact CG-SD 4.41Å; L9-F314 HydrophobicContact CB-CB 4.44Å; L9-F314 HydrophobicContact CB-CD1 3.57Å; L9-F314 HydrophobicContact CB-CE1 4.22Å; L9-F314 HydrophobicContact CB-CG 4.31Å; L9-F314 HydrophobicContact CD1-CB 3.87Å; L9-F314 HydrophobicContact CD1-CD1 4.26Å; L9-F314 HydrophobicContact CD1-CG 4.19Å
10Y90.8Very high89.7Confident17 Ų1738.6 Ų38.67%0.06718%0.177CC..Hα-helixtrans-58.3-47.1176.7-177-104.4000111.4K6 S7 I8 Q12 K13 F15 F27 H40 Y306K6-Y10 WeakPolarHBondContact O-CB 3.39Å; K6-Y10 PolarHBondContact O-N 3.44Å; S7-Y10 PolarHBondContact O-N 3.46Å; I8-Y10 PolarHBondContact O-N 2.82Å; Y10-Q12 VanDerWaalsContact C-N 3.26Å; Y10-Q12 PolarHBondContact O-N 3.18Å; Y10-K13 PolarHBondContact O-N 3.09Å; Y10-F15 HydrophobicContact CD2-CB 3.97Å; Y10-F15 HydrophobicContact CD2-CD1 4.21Å; Y10-F15 HydrophobicContact CD2-CD2 4.36Å; Y10-F15 AromaticContact CD2-CG 3.93Å; Y10-F15 HydrophobicContact CD2-CG 3.93Å; Y10-F15 HydrophobicContact CE2-CD1 4.08Å; Y10-F15 HydrophobicContact CE2-CG 4.28Å; Y10-F27 AromaticContact CD2-CD1 3.86Å; Y10-F27 HydrophobicContact CD2-CD1 3.86Å; Y10-F27 HydrophobicContact CD2-CE1 4.31Å; Y10-F27 HydrophobicContact CE2-CB 4.31Å; Y10-F27 AromaticContact CE2-CD1 3.56Å; Y10-F27 HydrophobicContact CE2-CD1 3.56Å; Y10-F27 HydrophobicContact CE2-CE1 4.39Å; Y10-F27 HydrophobicContact CE2-CG 4.41Å; Y10-F27 AromaticContact CZ-CD1 3.94Å; Y10-F27 PolarHBondContact OH-O 2.8Å; Y10-H40 PolarHBondContact O-CE1 3.07Å; Y10-Y306 HydrophobicContact CD1-CE1 4.42Å; Y10-Y306 VanDerWaalsContact CD1-OH 3.28Å; Y10-Y306 WeakPolarHBondContact CD1-OH 3.46Å; Y10-Y306 HydrophobicContact CG-CE1 4.1Å
11H89.5Confident89.5Confident17 Ų1747.6 Ų47.68%0.07921%0.209CC..Hα-helixtrans-74.3-15.8179.5-74.6-69.3000114.1S7 I8 L9 K13 L129 N130 G131S7-H11 PolarHBondContact O-CD2 3.31Å; S7-H11 VanDerWaalsContact O-CD2 3.26Å; S7-H11 PolarHBondContact O-N 3.23Å; S7-H11 VanDerWaalsContact O-N 3.14Å; I8-H11 PolarHBondContact O-N 3.43Å; L9-H11 VanDerWaalsContact C-N 3.34Å; L9-H11 PolarHBondContact O-N 3.29Å; H11-K13 VanDerWaalsContact C-N 3.3Å; H11-L129 PolarHBondContact CD2-O 3.49Å; H11-L129 VanDerWaalsContact CD2-O 3.26Å; H11-L129 PolarHBondContact NE2-O 3.38Å; H11-N130 VanDerWaalsContact CE1-C 3.41Å; H11-N130 PolarHBondContact CE1-O 3.1Å; H11-N130 VanDerWaalsContact NE2-CA 3.3Å; H11-N130 WeakPolarHBondContact NE2-CA 3.48Å; H11-G131 VanDerWaalsContact CB-O 3.29Å; H11-G131 WeakPolarHBondContact CB-O 3.41Å
12Q88.8Confident89.4Confident1 Ų145.4 Ų45.41%0.00520%0.199CC..THydrogen-bonded Turntrans-88.114.4166-70.3-156.4-3900114I8 L9 Y10 R14 T46 I50 I133 N134I8-Q12 WeakPolarHBondContact O-CG 3.39Å; I8-Q12 PolarHBondContact O-N 3Å; L9-Q12 CarbonylContact O-C 3.57Å; L9-Q12 PolarHBondContact O-N 3.18Å; Y10-Q12 VanDerWaalsContact C-N 3.26Å; Y10-Q12 PolarHBondContact O-N 3.18Å; Q12-R14 HydrophobicContact CB-CG 4.3Å; Q12-R14 PolarHBondContact O-N 3.04Å; Q12-R14 VanDerWaalsContact O-N 3.08Å; Q12-T46 CarbonylContact C-O 3.57Å; Q12-I50 VanDerWaalsContact CD-CD1 3.41Å; Q12-I50 VanDerWaalsContact NE2-CD1 3.35Å; Q12-I133 HydrophobicContact CG-CG2 4.17Å; Q12-N134 PolarHBondContact NE2-ND2 3.44Å
13K87.1Confident88.9Confident73 Ų7344.1 Ų44.132%0.31719%0.193SC..THydrogen-bonded Turntrans56.626.9-178.9-49.7-172.9-176.6-175.50114.1L9 Y10 H11 F15 I43 Y315L9-K13 PolarHBondContact O-N 3.34Å; Y10-K13 PolarHBondContact O-N 3.09Å; H11-K13 VanDerWaalsContact C-N 3.3Å; K13-F15 PolarHBondContact O-N 3.34Å; K13-I43 VanDerWaalsContact CE-O 3.31Å; K13-I43 WeakPolarHBondContact CE-O 3.29Å; K13-I43 PolarHBondContact NZ-O 2.7Å; K13-Y315 PolarHBondContact O-OH 3.35Å
14R89.2Confident88.1Confident5 Ų548.1 Ų48.12%0.01921%0.213CC..  trans-94.347.9176.8-73167.5173.2-94.411.3110.5L9 Q12 N47 G48 I74 F314 Y315L9-R14 HydrophobicContact CB-CB 4.14Å; L9-R14 HydrophobicContact CD2-CB 3.84Å; L9-R14 HydrophobicContact CD2-CG 4.28Å; L9-R14 WeakPolarHBondContact O-CB 3.48Å; L9-R14 PolarHBondContact O-N 3.16Å; Q12-R14 HydrophobicContact CB-CG 4.3Å; Q12-R14 PolarHBondContact O-N 3.04Å; Q12-R14 VanDerWaalsContact O-N 3.08Å; R14-N47 PolarHBondContact NH2-O 3.25Å; R14-G48 PolarHBondContact NH2-O 2.69Å; R14-I74 PolarHBondContact NH1-O 3.43Å; R14-F314 WeakPolarHBondContact O-CA 3.31Å; R14-F314 WeakPolarHBondContact O-CB 3.26Å; R14-F314 WeakPolarHBondContact O-CD1 3Å; R14-Y315 VanDerWaalsContact CB-O 3.26Å; R14-Y315 WeakPolarHBondContact CB-O 3.42Å; R14-Y315 HydrophobicContact CG-CE2 4.47Å; R14-Y315 WeakPolarHBondContact CG-O 3.3Å; R14-Y315 PolarHBondContact NH1-O 3.1Å; R14-Y315 VanDerWaalsContact NH1-O 3.1Å; R14-Y315 PolarHBondContact O-N 3.36Å
15F89.8Confident86.7Confident7 Ų752.8 Ų52.83%0.03125%0.246CC..BIsolated β-bridgetrans-129.1133.3-176.7-175.1-108.6000110.9Y10 K13 C17 C22 F27 I309 C313 F314Y10-F15 HydrophobicContact CD2-CB 3.97Å; Y10-F15 HydrophobicContact CD2-CD1 4.21Å; Y10-F15 HydrophobicContact CD2-CD2 4.36Å; Y10-F15 AromaticContact CD2-CG 3.93Å; Y10-F15 HydrophobicContact CD2-CG 3.93Å; Y10-F15 HydrophobicContact CE2-CD1 4.08Å; Y10-F15 HydrophobicContact CE2-CG 4.28Å; K13-F15 PolarHBondContact O-N 3.34Å; F15-C17 VanDerWaalsContact C-N 3.33Å; F15-C17 HydrophobicContact CD1-CB 4.05Å; F15-C17 HydrophobicContact CE1-CB 4.19Å; F15-C17 PolarHBondContact O-N 3.01Å; F15-C17 VanDerWaalsContact O-N 3.09Å; F15-C22 HydrophobicContact CZ-CB 4.16Å; F15-C22 VanDerWaalsContact CZ-O 3.3Å; F15-C22 WeakPolarHBondContact CZ-O 3.39Å; F15-F27 HydrophobicContact CE1-CB 3.75Å; F15-F27 HydrophobicContact CE1-CG 4.44Å; F15-F27 HydrophobicContact CZ-CB 3.81Å; F15-F27 HydrophobicContact CZ-CG 4.1Å; F15-I309 HydrophobicContact CE2-CD1 4.34Å; F15-I309 HydrophobicContact CE2-CG1 3.93Å; F15-I309 HydrophobicContact CZ-CD1 4.37Å; F15-I309 HydrophobicContact CZ-CG1 4.38Å; F15-C313 CarbonylContact C-O 3.59Å; F15-C313 WeakPolarHBondContact CA-O 3.36Å; F15-C313 HydrophobicContact CD2-CB 4.17Å; F15-C313 VanDerWaalsContact CD2-O 3.31Å; F15-C313 WeakPolarHBondContact CD2-O 3.47Å; F15-C313 HydrophobicContact CE2-CB 3.65Å; F15-C313 HydrophobicContact CZ-CB 4.44Å; F15-F314 HydrophobicContact CB-CD1 4.44Å; F15-F314 HydrophobicContact CB-CE1 4.47Å; F15-F314 AromaticContact CD2-CD1 3.89Å; F15-F314 HydrophobicContact CD2-CD1 3.89Å; F15-F314 AromaticContact CD2-CE1 3.56Å; F15-F314 HydrophobicContact CD2-CE1 3.56Å; F15-F314 HydrophobicContact CD2-CE2 4.26Å; F15-F314 HydrophobicContact CD2-CG 4.4Å; F15-F314 AromaticContact CD2-CZ 3.75Å; F15-F314 HydrophobicContact CD2-CZ 3.75Å; F15-F314 HydrophobicContact CE2-CE1 4.26Å; F15-F314 HydrophobicContact CE2-CE2 4.32Å; F15-F314 AromaticContact CE2-CZ 3.97Å; F15-F314 HydrophobicContact CE2-CZ 3.97Å; F15-F314 HydrophobicContact CG-CE1 4.43Å
16R88.6Confident85.7Confident120 Ų12056.3 Ų56.345%0.45327%0.265SS..  trans-86.862.9-175.6-59-179.3-175.4-112.83.5111.2Q18 N19 C313 Y315R16-Q18 PolarHBondContact O-N 2.77Å; R16-N19 HydrophobicContact CB-CB 4.23Å; R16-N19 WeakPolarHBondContact O-CB 3.14Å; R16-N19 PolarHBondContact O-N 2.69Å; R16-C313 PolarHBondContact N-O 3.1Å; R16-Y315 HydrophobicContact CG-CD1 3.79Å; R16-Y315 HydrophobicContact CG-CE1 4.35Å
17C84.6Confident85Confident16 Ų1656.2 Ų56.211%0.10827%0.265CS..THydrogen-bonded Turntrans-62.7-23.7179.542.20000114.5F15 N19 C23 C28 F36 C38F15-C17 VanDerWaalsContact C-N 3.33Å; F15-C17 HydrophobicContact CD1-CB 4.05Å; F15-C17 HydrophobicContact CE1-CB 4.19Å; F15-C17 PolarHBondContact O-N 3.01Å; F15-C17 VanDerWaalsContact O-N 3.09Å; C17-N19 PolarHBondContact O-N 3.22Å; C17-C23 WeakPolarHBondContact O-CB 3.27Å; C17-C23 PolarHBondContact O-SG 2.85Å; C17-C28 WeakPolarHBondContact CB-SG 3.37Å; C17-F36 VanDerWaalsContact O-CB 3.29Å; C17-F36 WeakPolarHBondContact O-CB 3.36Å; C17-C38 HydrophobicContact CB-CB 3.79Å; C17-C38 WeakPolarHBondContact CB-SG 3.42Å; C17-C38 VanDerWaalsContact SG-CA 3.57Å; C17-C38 WeakPolarHBondContact SG-CB 3.47Å; C17-C38 PolarHBondContact SG-N 3.31Å; C17-C38 CovalentContact SG-SG 2.03Å; C17-C38 PolarHBondContact SG-SG 3.46Å
18Q81.5Confident84.3Confident172 Ų17256.5 Ų56.580%0.80427%0.267SS*.THydrogen-bonded Turntrans-69.4-16.9174.7-66179.4-10.200112.7R16 K20R16-Q18 PolarHBondContact O-N 2.77Å; Q18-K20 PolarHBondContact O-N 3.03Å
19N85Confident83.4Confident69 Ų6959.6 Ų59.637%0.36928%0.28SS..SBendtrans-83.1111.6174.3-174.8-18.4000109.8R16 C17 R21 C22 C23R16-N19 HydrophobicContact CB-CB 4.23Å; R16-N19 WeakPolarHBondContact O-CB 3.14Å; R16-N19 PolarHBondContact O-N 2.69Å; C17-N19 PolarHBondContact O-N 3.22Å; N19-R21 PolarHBondContact O-N 2.92Å; N19-R21 WeakPolarHBondContact OD1-CB 3.23Å; N19-R21 PolarHBondContact OD1-N 3.01Å; N19-C22 HydrophobicContact CB-CB 4.2Å; N19-C22 WeakPolarHBondContact O-CA 3.3Å; N19-C22 WeakPolarHBondContact O-CB 3.33Å; N19-C22 PolarHBondContact O-N 3.15Å; N19-C23 WeakPolarHBondContact O-CB 3.3Å; N19-C23 PolarHBondContact O-N 2.96Å; N19-C23 VanDerWaalsContact O-N 3.15Å
20K82Confident82.4Confident166 Ų16665.7 Ų65.772%0.72231%0.309SS*.THydrogen-bonded Turntrans-50.9-34.4178.9-64.1-169.5178.8-178.50113.5Q18 C22 C23 F36Q18-K20 PolarHBondContact O-N 3.03Å; K20-C22 PolarHBondContact O-N 3.32Å; K20-C23 PolarHBondContact O-N 2.75Å; K20-F36 HydrophobicContact CD-CE2 4.21Å; K20-F36 HydrophobicContact CG-CD2 4.22Å; K20-F36 HydrophobicContact CG-CE2 3.73Å
21R85.1Confident81.6Confident228 Ų22867 Ų6786%0.8632%0.317SS*.THydrogen-bonded Turntrans-69.6-21.9178.6-63.8-175.8-178.6169.41113.6N19N19-R21 PolarHBondContact O-N 2.92Å; N19-R21 WeakPolarHBondContact OD1-CB 3.23Å; N19-R21 PolarHBondContact OD1-N 3.01Å
22C87.3Confident80.8Confident3 Ų376.6 Ų76.62%0.0236%0.359CS..THydrogen-bonded Turntrans-93.7-21.7178-660000112.4F15 N19 K20 L24 I309 C313F15-C22 HydrophobicContact CZ-CB 4.16Å; F15-C22 VanDerWaalsContact CZ-O 3.3Å; F15-C22 WeakPolarHBondContact CZ-O 3.39Å; N19-C22 HydrophobicContact CB-CB 4.2Å; N19-C22 WeakPolarHBondContact O-CA 3.3Å; N19-C22 WeakPolarHBondContact O-CB 3.33Å; N19-C22 PolarHBondContact O-N 3.15Å; K20-C22 PolarHBondContact O-N 3.32Å; C22-L24 PolarHBondContact O-N 3.12Å; C22-I309 WeakPolarHBondContact O-CD1 3.25Å; C22-C313 WeakPolarHBondContact CA-SG 3.22Å; C22-C313 HydrophobicContact CB-CB 3.51Å; C22-C313 WeakPolarHBondContact CB-SG 2.78Å; C22-C313 WeakPolarHBondContact SG-CA 3.1Å; C22-C313 WeakPolarHBondContact SG-CB 3.47Å; C22-C313 CovalentContact SG-SG 2.04Å; C22-C313 PolarHBondContact SG-SG 3.25Å
23C80.2Confident80.2Confident17 Ų1783.1 Ų83.112%0.11539%0.393CS..  trans-90.175.5-164.7-155.70000111.5C17 N19 K20 C28 F36C17-C23 WeakPolarHBondContact O-CB 3.27Å; C17-C23 PolarHBondContact O-SG 2.85Å; N19-C23 WeakPolarHBondContact O-CB 3.3Å; N19-C23 PolarHBondContact O-N 2.96Å; N19-C23 VanDerWaalsContact O-N 3.15Å; K20-C23 PolarHBondContact O-N 2.75Å; C23-C28 WeakPolarHBondContact CA-SG 3.47Å; C23-C28 HydrophobicContact CB-CB 4.02Å; C23-C28 WeakPolarHBondContact CB-SG 3.48Å; C23-C28 WeakPolarHBondContact SG-CB 3.23Å; C23-C28 CovalentContact SG-SG 2.02Å; C23-C28 PolarHBondContact SG-SG 3.09Å; C23-F36 HydrophobicContact CB-CD1 4.2Å; C23-F36 HydrophobicContact CB-CG 4.25Å; C23-F36 WeakPolarHBondContact SG-CB 3.19Å; C23-F36 WeakPolarHBondContact SG-CD1 3.46Å; C23-F36 WeakPolarHBondContact SG-CG 3.31Å
24L76.7Confident79.6Confident86 Ų8681.1 Ų81.145%0.4539%0.394SS..  trans-76.3152.2171.9-55.2176.9000109.8C22 D26 F27 C28 I309C22-L24 PolarHBondContact O-N 3.12Å; L24-D26 PolarHBondContact O-N 2.95Å; L24-F27 HydrophobicContact CB-CD2 4.32Å; L24-F27 PolarHBondContact O-N 2.72Å; L24-C28 PolarHBondContact O-N 3.21Å; L24-C28 VanDerWaalsContact O-N 3.15Å; L24-I309 HydrophobicContact CD1-CD1 4Å; L24-I309 HydrophobicContact CG-CD1 4.33Å
25S65.5Low78.8Confident102 Ų10286 Ų8671%0.71342%0.42SS*.THydrogen-bonded Turntrans-47.1-30.8-175.454.60000114.5
26D73.1Confident77.9Confident74 Ų7488 Ų8840%0.39643%0.429SS..THydrogen-bonded Turntrans-93.6-17.7-171.5-65.611.6000113L24 K305L24-D26 PolarHBondContact O-N 2.95Å; D26-K305 HydrophobicContact CB-CD 3.88Å; D26-K305 WeakPolarHBondContact OD2-CE 3.45Å; D26-K305 IonicContact OD2-NZ 3.21Å; D26-K305 PolarHBondContact OD2-NZ 3.41Å
27F79.9Confident77.1Confident4 Ų487.8 Ų87.82%0.01843%0.433CS..THydrogen-bonded Turntrans-99.7-15.9176.6-72.4-67.2000113.1Y10 F15 L24 S39 K305 Y306 I309Y10-F27 AromaticContact CD2-CD1 3.86Å; Y10-F27 HydrophobicContact CD2-CD1 3.86Å; Y10-F27 HydrophobicContact CD2-CE1 4.31Å; Y10-F27 HydrophobicContact CE2-CB 4.31Å; Y10-F27 AromaticContact CE2-CD1 3.56Å; Y10-F27 HydrophobicContact CE2-CD1 3.56Å; Y10-F27 HydrophobicContact CE2-CE1 4.39Å; Y10-F27 HydrophobicContact CE2-CG 4.41Å; Y10-F27 AromaticContact CZ-CD1 3.94Å; Y10-F27 PolarHBondContact OH-O 2.8Å; F15-F27 HydrophobicContact CE1-CB 3.75Å; F15-F27 HydrophobicContact CE1-CG 4.44Å; F15-F27 HydrophobicContact CZ-CB 3.81Å; F15-F27 HydrophobicContact CZ-CG 4.1Å; L24-F27 HydrophobicContact CB-CD2 4.32Å; L24-F27 PolarHBondContact O-N 2.72Å; F27-S39 PolarHBondContact O-N 2.02Å; F27-K305 HydrophobicContact CE2-CB 3.76Å; F27-K305 HydrophobicContact CZ-CB 3.57Å; F27-Y306 AromaticContact CE1-CD1 3.93Å; F27-Y306 HydrophobicContact CE1-CD1 3.93Å; F27-Y306 AromaticContact CE1-CE1 3.52Å; F27-Y306 HydrophobicContact CE1-CE1 3.52Å; F27-Y306 AromaticContact CE1-CZ 3.94Å; F27-Y306 AromaticContact CZ-CD1 3.93Å; F27-Y306 HydrophobicContact CZ-CD1 3.93Å; F27-Y306 HydrophobicContact CZ-CE1 4.01Å; F27-Y306 HydrophobicContact CZ-CG 4.37Å; F27-I309 HydrophobicContact CE2-CB 4Å; F27-I309 HydrophobicContact CE2-CG1 4.34Å; F27-I309 HydrophobicContact CE2-CG2 4.2Å; F27-I309 HydrophobicContact CZ-CB 4.48Å; F27-I309 HydrophobicContact CZ-CG2 4.18Å
28C78.9Confident76.6Confident7 Ų788 Ų885%0.04744%0.435CS..EExtended strand (participates in β ladder)trans-141.2151-172.9-73.80000112.5C17 C23 L24 Q37C17-C28 WeakPolarHBondContact CB-SG 3.37Å; C23-C28 WeakPolarHBondContact CA-SG 3.47Å; C23-C28 HydrophobicContact CB-CB 4.02Å; C23-C28 WeakPolarHBondContact CB-SG 3.48Å; C23-C28 WeakPolarHBondContact SG-CB 3.23Å; C23-C28 CovalentContact SG-SG 2.02Å; C23-C28 PolarHBondContact SG-SG 3.09Å; L24-C28 PolarHBondContact O-N 3.21Å; L24-C28 VanDerWaalsContact O-N 3.15Å; C28-Q37 CarbonylContact C-O 3.6Å; C28-Q37 WeakPolarHBondContact CA-O 3.41Å
29K75.9Confident75.9Confident68 Ų6881 Ų8130%0.29640%0.404SS..EExtended strand (participates in β ladder)trans-113.4135.7164.8-66.6177.4176.7-178.30109.8Q37 E244 N245K29-Q37 PolarHBondContact N-O 2.92Å; K29-Q37 PolarHBondContact O-N 2.98Å; K29-E244 WeakPolarHBondContact CE-OE2 3.41Å; K29-E244 IonicContact NZ-OE1 3.29Å; K29-E244 PolarHBondContact NZ-OE1 3.15Å; K29-E244 IonicContact NZ-OE2 3.73Å; K29-E244 PolarHBondContact NZ-OE2 3.01Å; K29-N245 PolarHBondContact NZ-OD1 2.72Å; K29-N245 VanDerWaalsContact NZ-OD1 3.15Å
30Q71.8Confident74.8Confident128 Ų12880.1 Ų80.160%0.59840%0.398SS*.EExtended strand (participates in β ladder)trans-81.8125166.9-165.4175.517.400108.2G34 F36Q30-G34 PolarHBondContact NE2-O 2.86Å; Q30-F36 HydrophobicContact CB-CD1 4.15Å; Q30-F36 HydrophobicContact CB-CE1 3.99Å; Q30-F36 HydrophobicContact CG-CD1 4.37Å; Q30-F36 HydrophobicContact CG-CE1 4.09Å; Q30-F36 HydrophobicContact CG-CZ 4.45Å
31N72.4Confident73.6Confident45 Ų4575.8 Ų75.824%0.24138%0.379CS..  trans-80.9171175.47415.8000111.2N33 G34 N35 Q37N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 WeakPolarHBondContact OD1-CA 3.36Å; N31-N33 WeakPolarHBondContact OD1-CB 3.39Å; N31-N33 PolarHBondContact OD1-N 3.33Å; N31-G34 PolarHBondContact O-N 2.93Å; N31-G34 PolarHBondContact OD1-N 3.25Å; N31-N35 PolarHBondContact N-O 3.05Å; N31-N35 PolarHBondContact OD1-N 2.92Å; N31-N35 PolarHBondContact OD1-O 3.21Å; N31-Q37 PolarHBondContact ND2-NE2 3.1Å
32K73.5Confident72.1Confident218 Ų21875.4 Ų75.495%0.94838%0.384SS*.THydrogen-bonded Turntrans-56.7-23.1179.8-66.6-173178.8-176.50114G34K32-G34 VanDerWaalsContact C-N 3.32Å
33N76.7Confident70.4Confident137 Ų13777.2 Ų77.273%0.73339%0.393SS*.THydrogen-bonded Turntrans-917.5179.2-61-2.3000112.6N31 N35N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 WeakPolarHBondContact OD1-CA 3.36Å; N31-N33 WeakPolarHBondContact OD1-CB 3.39Å; N31-N33 PolarHBondContact OD1-N 3.33Å; N33-N35 PolarHBondContact O-N 3.01Å
34G73.2Confident69.1Low32 Ų3284.2 Ų84.233%0.3343%0.428SS..SBendtrans79-1.5-178.700000115Q30 N31 K32Q30-G34 PolarHBondContact NE2-O 2.86Å; N31-G34 PolarHBondContact O-N 2.93Å; N31-G34 PolarHBondContact OD1-N 3.25Å; K32-G34 VanDerWaalsContact C-N 3.32Å
35N72.4Confident68Low106 Ų10689.2 Ų89.257%0.56745%0.446SS*.  trans-81.4140.8178.1-73.1-25.1000110.9N31 N33N31-N35 PolarHBondContact N-O 3.05Å; N31-N35 PolarHBondContact OD1-N 2.92Å; N31-N35 PolarHBondContact OD1-O 3.21Å; N33-N35 PolarHBondContact O-N 3.01Å
36F71Confident67.9Low50 Ų5085.3 Ų85.322%0.21942%0.418CS..EExtended strand (participates in β ladder)trans-86.5128.4177.8-66.9-75.7000111.4C17 K20 C23 Q30C17-F36 VanDerWaalsContact O-CB 3.29Å; C17-F36 WeakPolarHBondContact O-CB 3.36Å; K20-F36 HydrophobicContact CD-CE2 4.21Å; K20-F36 HydrophobicContact CG-CD2 4.22Å; K20-F36 HydrophobicContact CG-CE2 3.73Å; C23-F36 HydrophobicContact CB-CD1 4.2Å; C23-F36 HydrophobicContact CB-CG 4.25Å; C23-F36 WeakPolarHBondContact SG-CB 3.19Å; C23-F36 WeakPolarHBondContact SG-CD1 3.46Å; C23-F36 WeakPolarHBondContact SG-CG 3.31Å; Q30-F36 HydrophobicContact CB-CD1 4.15Å; Q30-F36 HydrophobicContact CB-CE1 3.99Å; Q30-F36 HydrophobicContact CG-CD1 4.37Å; Q30-F36 HydrophobicContact CG-CE1 4.09Å; Q30-F36 HydrophobicContact CG-CZ 4.45Å
37Q72.7Confident67.6Low116 Ų11687.1 Ų87.154%0.54243%0.428SS..EExtended strand (participates in β ladder)trans-116.5133172.5-67.5-177.4-10.500108.7C28 K29 N31C28-Q37 CarbonylContact C-O 3.6Å; C28-Q37 WeakPolarHBondContact CA-O 3.41Å; K29-Q37 PolarHBondContact N-O 2.92Å; K29-Q37 PolarHBondContact O-N 2.98Å; N31-Q37 PolarHBondContact ND2-NE2 3.1Å
38C73.6Confident67.6Low21 Ų2188.2 Ų88.214%0.14244%0.44CS..EExtended strand (participates in β ladder)trans-59.8142.1170.6-65.10000108.8C17 H40C17-C38 HydrophobicContact CB-CB 3.79Å; C17-C38 WeakPolarHBondContact CB-SG 3.42Å; C17-C38 VanDerWaalsContact SG-CA 3.57Å; C17-C38 WeakPolarHBondContact SG-CB 3.47Å; C17-C38 PolarHBondContact SG-N 3.31Å; C17-C38 CovalentContact SG-SG 2.03Å; C17-C38 PolarHBondContact SG-SG 3.46Å; C38-H40 WeakPolarHBondContact CB-CD2 3.38Å; C38-H40 WeakPolarHBondContact CB-NE2 3.36Å; C38-H40 PolarHBondContact O-N 2.03Å; C38-H40 PolarHBondContact SG-NE2 3.11Å
39S66.5Low68.2Low23 Ų2393 Ų9316%0.16147%0.471CS..  trans-72.938.4-179.1-52.40000113.3F27 E244F27-S39 PolarHBondContact O-N 2.02Å; S39-E244 WeakPolarHBondContact CB-OE2 2.85Å
40H63.4Low69Low52 Ų5291 Ų9124%0.24146%0.463CS..  trans-75.8133.8-168.4-69.2-53.1000113.1Y10 C38Y10-H40 PolarHBondContact O-CE1 3.07Å; C38-H40 WeakPolarHBondContact CB-CD2 3.38Å; C38-H40 WeakPolarHBondContact CB-NE2 3.36Å; C38-H40 PolarHBondContact O-N 2.03Å; C38-H40 PolarHBondContact SG-NE2 3.11Å
41K56.3Low70.2Confident75 Ų7588 Ų8833%0.32645%0.453SS..  trans-53.6139.8161.6-61.9175.5-176.9171.80109.4I43 N130K41-I43 HydrophobicContact CB-CD1 4.04Å; K41-I43 HydrophobicContact CB-CG1 4.17Å; K41-I43 PolarHBondContact O-N 3.07Å; K41-N130 PolarHBondContact NZ-O 2.92Å
42K52.8Low71.3Confident220 Ų22086.9 Ų86.996%0.95745%0.447SS*.  trans-62.769.5174.6-78.2-177.9176.5175.80112
43I51.9Low72.4Confident41 Ų4178.8 Ų78.821%0.2141%0.412CS..  trans-105.4128.1175.6-59.8167.7000108.2K13 K41 D132 E135K13-I43 VanDerWaalsContact CE-O 3.31Å; K13-I43 WeakPolarHBondContact CE-O 3.29Å; K13-I43 PolarHBondContact NZ-O 2.7Å; K41-I43 HydrophobicContact CB-CD1 4.04Å; K41-I43 HydrophobicContact CB-CG1 4.17Å; K41-I43 PolarHBondContact O-N 3.07Å; I43-D132 HydrophobicContact CD1-CB 4.29Å; I43-E135 WeakPolarHBondContact CD1-OE1 3.46Å
44L52.1Low73.3Confident163 Ų16373 Ų7385%0.85338%0.38SS*.  trans-74124.5-178-75.1155000110.1
45K54.8Low74.3Confident192 Ų19273.7 Ų73.784%0.83538%0.376SS*.  trans37.4102.6168.9-76.1-176.6175179.50117.8
46T62.5Low75.3Confident19 Ų1969.2 Ų69.212%0.11735%0.352CS..  trans-145.273.717148.80000114.3Q12 D132 N134Q12-T46 CarbonylContact C-O 3.57Å; T46-D132 WeakPolarHBondContact CB-OD2 3.42Å; T46-D132 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D132 PolarHBondContact OG1-OD2 3.27Å; T46-N134 WeakPolarHBondContact CB-ND2 3.22Å; T46-N134 HydrophobicContact CG2-CB 4.07Å; T46-N134 WeakPolarHBondContact CG2-ND2 3.46Å
47N66.9Low76.3Confident113 Ų11369.8 Ų69.860%0.60436%0.358SS*.  trans-115.928.6167.564.2-17.4000112.2R14R14-N47 PolarHBondContact NH2-O 3.25Å
48G79.7Confident77.3Confident26 Ų2669.5 Ų69.527%0.26836%0.355SS..  trans-59.415517800000112.6R14R14-G48 PolarHBondContact NH2-O 2.69Å
49P91.3Very high78.3Confident109 Ų10973 Ų7371%0.70838%0.377SS*.  trans-65.6140.5176.227.7-33.9000111.2N75P49-N75 VanDerWaalsContact CA-O 3.27Å; P49-N75 WeakPolarHBondContact CA-O 2.64Å; P49-N75 HydrophobicContact CB-CB 4.33Å
50I93.8Very high79.5Confident24 Ų2474.2 Ų74.212%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-118134.7172.4-70.2-169.6000109.4I8 Q12 F52 N75 M76 K77 I133I8-I50 HydrophobicContact CG2-CD1 3.85Å; Q12-I50 VanDerWaalsContact CD-CD1 3.41Å; Q12-I50 VanDerWaalsContact NE2-CD1 3.35Å; I50-F52 HydrophobicContact CG2-CD1 4.28Å; I50-F52 HydrophobicContact CG2-CD2 3.85Å; I50-F52 HydrophobicContact CG2-CE1 4.07Å; I50-F52 HydrophobicContact CG2-CE2 3.67Å; I50-F52 HydrophobicContact CG2-CG 4.18Å; I50-F52 HydrophobicContact CG2-CZ 3.77Å; I50-N75 PolarHBondContact N-O 3.37Å; I50-N75 VanDerWaalsContact N-O 3.07Å; I50-M76 HydrophobicContact CB-CE 3.71Å; I50-M76 HydrophobicContact CB-CG 4.38Å; I50-M76 HydrophobicContact CD1-CE 3.76Å; I50-M76 HydrophobicContact CG1-CE 4.14Å; I50-M76 HydrophobicContact CG2-CE 3.95Å; I50-M76 VanDerWaalsContact O-CA 3.31Å; I50-M76 WeakPolarHBondContact O-CA 3.38Å; I50-K77 PolarHBondContact O-N 3.31Å; I50-I133 HydrophobicContact CD1-CG2 4.12Å
51T95.7Very high81Confident65 Ų6573 Ų7340%0.39938%0.378SS..EExtended strand (participates in β ladder)trans-110.5121.1163.9-59.60000109.2H53 K77 Q79T51-H53 WeakPolarHBondContact CG2-NE2 3.44Å; T51-K77 CarbonylContact C-O 3.58Å; T51-K77 WeakPolarHBondContact CA-O 3.44Å; T51-K77 HydrophobicContact CG2-CB 4.35Å; T51-Q79 HydrophobicContact CG2-CG 3.84Å
52F96.2Very high82.8Confident23 Ų2374 Ų7410%0.10139%0.386CS..EExtended strand (participates in β ladder)trans-90.8127.1171.5-67.7-77.5000109.9I5 I8 I50 F54 M76 K77 F78 Q79I5-F52 HydrophobicContact CG1-CZ 4.43Å; I5-F52 HydrophobicContact CG2-CE2 4.12Å; I5-F52 HydrophobicContact CG2-CZ 3.97Å; I8-F52 HydrophobicContact CD1-CE1 3.78Å; I8-F52 HydrophobicContact CD1-CZ 4.15Å; I50-F52 HydrophobicContact CG2-CD1 4.28Å; I50-F52 HydrophobicContact CG2-CD2 3.85Å; I50-F52 HydrophobicContact CG2-CE1 4.07Å; I50-F52 HydrophobicContact CG2-CE2 3.67Å; I50-F52 HydrophobicContact CG2-CG 4.18Å; I50-F52 HydrophobicContact CG2-CZ 3.77Å; F52-F54 HydrophobicContact CB-CD2 4.03Å; F52-F54 HydrophobicContact CB-CE2 3.29Å; F52-F54 HydrophobicContact CB-CZ 3.59Å; F52-F54 HydrophobicContact CD1-CZ 4.43Å; F52-F54 HydrophobicContact CG-CE2 4.16Å; F52-F54 HydrophobicContact CG-CZ 4.03Å; F52-M76 HydrophobicContact CD2-CE 4.44Å; F52-M76 HydrophobicContact CE2-CE 3.32Å; F52-M76 HydrophobicContact CE2-SD 3.75Å; F52-M76 HydrophobicContact CZ-CE 3.67Å; F52-K77 PolarHBondContact N-O 3.14Å; F52-F78 HydrophobicContact CB-CD1 4.27Å; F52-F78 AromaticContact CD2-CD1 3.78Å; F52-F78 HydrophobicContact CD2-CD1 3.78Å; F52-F78 AromaticContact CD2-CE1 3.54Å; F52-F78 HydrophobicContact CD2-CE1 3.54Å; F52-F78 HydrophobicContact CD2-CZ 4.39Å; F52-F78 HydrophobicContact CE2-CE1 4.03Å; F52-F78 HydrophobicContact CG-CD1 4.49Å; F52-Q79 PolarHBondContact O-N 3.14Å
53H97.4Very high84.8Confident48 Ų4870.9 Ų70.922%0.22237%0.373CS..EExtended strand (participates in β ladder)trans-104.9110.9173.5-62.9-93.4000109.1T51 Q79 Y81 L113T51-H53 WeakPolarHBondContact CG2-NE2 3.44Å; H53-Q79 PolarHBondContact CE1-OE1 2.83Å; H53-Q79 PolarHBondContact ND1-OE1 2.84Å; H53-Y81 HydrophobicContact CB-CD2 4.46Å; H53-Y81 HydrophobicContact CB-CE2 3.89Å; H53-Y81 AromaticContact ND1-CE2 3.44Å; H53-Y81 WeakPolarHBondContact ND1-CE2 3.36Å; H53-Y81 AromaticContact ND1-CZ 3.62Å; H53-Y81 PolarHBondContact ND1-OH 3.17Å; H53-Y81 VanDerWaalsContact ND1-OH 3.07Å; H53-L113 HydrophobicContact CB-CD2 3.7Å
54F95.8Very high86.7Confident15 Ų1570 Ų707%0.06637%0.368CS..EExtended strand (participates in β ladder)trans-102.5120.5-177.8-66.2-75.1000110.6M1 I5 F52 T56 F64 F78 Q79 F80 Y81M1-F54 HydrophobicContact CE-CE1 3.59Å; M1-F54 HydrophobicContact CE-CZ 4.16Å; M1-F54 HydrophobicContact CG-CE1 4.32Å; M1-F54 HydrophobicContact SD-CE1 4.06Å; I5-F54 HydrophobicContact CD1-CZ 4.18Å; F52-F54 HydrophobicContact CB-CD2 4.03Å; F52-F54 HydrophobicContact CB-CE2 3.29Å; F52-F54 HydrophobicContact CB-CZ 3.59Å; F52-F54 HydrophobicContact CD1-CZ 4.43Å; F52-F54 HydrophobicContact CG-CE2 4.16Å; F52-F54 HydrophobicContact CG-CZ 4.03Å; F54-T56 HydrophobicContact CB-CG2 3.99Å; F54-F64 AromaticContact CD1-CD2 3.69Å; F54-F64 HydrophobicContact CD1-CD2 3.69Å; F54-F64 AromaticContact CD1-CE2 3.66Å; F54-F64 HydrophobicContact CD1-CE2 3.66Å; F54-F64 AromaticContact CE1-CD2 3.91Å; F54-F64 HydrophobicContact CE1-CD2 3.91Å; F54-F64 AromaticContact CE1-CE2 3.83Å; F54-F64 HydrophobicContact CE1-CE2 3.83Å; F54-F64 HydrophobicContact CG-CD2 4.01Å; F54-F64 HydrophobicContact CG-CE2 4.4Å; F54-F64 HydrophobicContact CZ-CD2 4.43Å; F54-F78 HydrophobicContact CD2-CB 4.09Å; F54-F78 HydrophobicContact CD2-CD2 4.39Å; F54-F78 HydrophobicContact CD2-CG 4.36Å; F54-F78 HydrophobicContact CE2-CB 3.82Å; F54-F78 HydrophobicContact CE2-CD1 4.18Å; F54-F78 AromaticContact CE2-CD2 3.57Å; F54-F78 HydrophobicContact CE2-CD2 3.57Å; F54-F78 HydrophobicContact CE2-CE2 4.15Å; F54-F78 AromaticContact CE2-CG 3.6Å; F54-F78 HydrophobicContact CE2-CG 3.6Å; F54-F78 HydrophobicContact CZ-CD2 4.24Å; F54-F78 HydrophobicContact CZ-CE2 4.39Å; F54-Q79 PolarHBondContact N-O 2.8Å; F54-F80 HydrophobicContact CB-CD1 3.76Å; F54-F80 HydrophobicContact CB-CE1 4.01Å; F54-F80 HydrophobicContact CD2-CD1 4.23Å; F54-F80 AromaticContact CD2-CE1 3.76Å; F54-F80 HydrophobicContact CD2-CE1 3.76Å; F54-F80 HydrophobicContact CD2-CZ 4.24Å; F54-F80 HydrophobicContact CG-CD1 4.33Å; F54-F80 HydrophobicContact CG-CE1 4.09Å; F54-F80 CarbonylContact O-C 3.59Å; F54-F80 WeakPolarHBondContact O-CA 3.33Å; F54-Y81 PolarHBondContact O-N 2.82Å
55I94.4Very high88.7Confident47 Ų4765.1 Ų65.124%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-96.9109.3168.2-61.7167.8000107.7Y81 N83 L105 L109 I112I55-Y81 WeakPolarHBondContact CA-O 3.5Å; I55-N83 HydrophobicContact CG2-CB 3.7Å; I55-L105 HydrophobicContact CG2-CD1 3.97Å; I55-L109 HydrophobicContact CD1-CD2 3.48Å; I55-L109 VanDerWaalsContact CD1-CD2 3.48Å; I55-L109 HydrophobicContact CD1-CG 4.44Å; I55-I112 HydrophobicContact CD1-CD1 3.75Å; I55-I112 HydrophobicContact CD1-CG2 4.19Å; I55-I112 HydrophobicContact CG1-CG2 4.2Å
56T93.2Very high90.5Very high11 Ų1162.4 Ų62.47%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-140.8160.7-167.754.60000111.7F54 T60 F64 Y81 E82 N83F54-T56 HydrophobicContact CB-CG2 3.99Å; T56-T60 HydrophobicContact CG2-CG2 3.81Å; T56-F64 HydrophobicContact CG2-CD2 4.31Å; T56-F64 HydrophobicContact CG2-CE2 4.27Å; T56-Y81 PolarHBondContact N-O 3.1Å; T56-E82 WeakPolarHBondContact O-CA 3.31Å; T56-N83 PolarHBondContact O-N 3.3Å; T56-N83 PolarHBondContact O-OD1 3.04Å
57D92.2Very high91.8Very high62 Ų6262.5 Ų62.533%0.33233%0.328SS..  trans-75.4171.1159.960.130000110.7P59 T60 Q61 N83D57-P59 WeakPolarHBondContact OD1-CD 3.15Å; D57-T60 PolarHBondContact O-N 2.98Å; D57-T60 WeakPolarHBondContact OD1-CA 3.31Å; D57-T60 WeakPolarHBondContact OD1-CB 3.27Å; D57-T60 PolarHBondContact OD1-N 3.26Å; D57-T60 PolarHBondContact OD1-OG1 3.46Å; D57-Q61 WeakPolarHBondContact O-CB 3.47Å; D57-Q61 PolarHBondContact O-N 3.2Å; D57-N83 PolarHBondContact N-ND2 3.14Å
58K92.8Very high93Very high111 Ų11160 Ų6048%0.48331%0.313SS..Hα-helixtrans-62.4-45.5-178.1-167.271.5174.6-173.10113.4T60 Q61 L62K58-T60 PolarHBondContact O-N 2.88Å; K58-Q61 WeakPolarHBondContact O-CB 3.26Å; K58-Q61 PolarHBondContact O-N 3.4Å; K58-L62 WeakPolarHBondContact O-CG 3.4Å; K58-L62 PolarHBondContact O-N 3.03Å; K58-L62 VanDerWaalsContact O-N 3.09Å
59P94.4Very high93.5Very high93 Ų9365.4 Ų65.460%0.60433%0.331SS*.Hα-helixtrans-61-42.8177.8-24.935.8000113.3D57 L62 K63D57-P59 WeakPolarHBondContact OD1-CD 3.15Å; P59-L62 PolarHBondContact O-N 3.47Å; P59-K63 PolarHBondContact O-N 3.25Å
60T92.3Very high93.4Very high49 Ų4965.1 Ų65.130%0.30132%0.324SS..Hα-helixtrans-67.8-39.7178.7-56.60000111.2T56 D57 K58 L62 K63 F64T56-T60 HydrophobicContact CG2-CG2 3.81Å; D57-T60 PolarHBondContact O-N 2.98Å; D57-T60 WeakPolarHBondContact OD1-CA 3.31Å; D57-T60 WeakPolarHBondContact OD1-CB 3.27Å; D57-T60 PolarHBondContact OD1-N 3.26Å; D57-T60 PolarHBondContact OD1-OG1 3.46Å; K58-T60 PolarHBondContact O-N 2.88Å; T60-L62 PolarHBondContact O-N 3.43Å; T60-K63 WeakPolarHBondContact O-CB 3.38Å; T60-K63 PolarHBondContact O-N 3.42Å; T60-F64 HydrophobicContact CG2-CD2 4.39Å; T60-F64 HydrophobicContact CG2-CE1 4.4Å; T60-F64 HydrophobicContact CG2-CE2 4.07Å; T60-F64 HydrophobicContact CG2-CZ 4.06Å; T60-F64 PolarHBondContact O-N 3.19Å
61Q94.7Very high93.3Very high26 Ų2664.7 Ų64.712%0.12132%0.32CS..Hα-helixtrans-55.3-50.3173.4176.7175.1-12.500111.3D57 K58 K63 F64 Q65 F80D57-Q61 WeakPolarHBondContact O-CB 3.47Å; D57-Q61 PolarHBondContact O-N 3.2Å; K58-Q61 WeakPolarHBondContact O-CB 3.26Å; K58-Q61 PolarHBondContact O-N 3.4Å; Q61-K63 VanDerWaalsContact C-N 3.28Å; Q61-K63 PolarHBondContact O-N 3.32Å; Q61-F64 PolarHBondContact O-N 3.23Å; Q61-F64 VanDerWaalsContact O-N 3.12Å; Q61-Q65 HydrophobicContact CG-CG 4.24Å; Q61-Q65 WeakPolarHBondContact O-CG 3.41Å; Q61-Q65 PolarHBondContact O-N 3.08Å; Q61-F80 HydrophobicContact CB-CD1 4.33Å; Q61-F80 HydrophobicContact CG-CB 3.89Å; Q61-F80 HydrophobicContact CG-CD1 3.78Å; Q61-F80 HydrophobicContact CG-CD2 4.41Å; Q61-F80 HydrophobicContact CG-CE1 4.44Å; Q61-F80 HydrophobicContact CG-CG 3.76Å
62L94.9Very high92.9Very high96 Ų9669.3 Ų69.350%0.50334%0.337SS..Hα-helixtrans-59.4-40.4-180-69.4171.1000111.9K58 P59 T60 Q65 K66K58-L62 WeakPolarHBondContact O-CG 3.4Å; K58-L62 PolarHBondContact O-N 3.03Å; K58-L62 VanDerWaalsContact O-N 3.09Å; P59-L62 PolarHBondContact O-N 3.47Å; T60-L62 PolarHBondContact O-N 3.43Å; L62-Q65 PolarHBondContact O-N 2.67Å; L62-K66 PolarHBondContact O-N 2.9Å
63K93.3Very high92.6Very high155 Ų15569.3 Ų69.367%0.67434%0.339SS*.Hα-helixtrans-61.4-43.6175.4-176177.7179.2176.40111.9P59 T60 Q61 M67P59-K63 PolarHBondContact O-N 3.25Å; T60-K63 WeakPolarHBondContact O-CB 3.38Å; T60-K63 PolarHBondContact O-N 3.42Å; Q61-K63 VanDerWaalsContact C-N 3.28Å; Q61-K63 PolarHBondContact O-N 3.32Å; K63-M67 PolarHBondContact O-N 2.95Å
64F92.6Very high92.2Very high24 Ų2471.6 Ų71.611%0.10535%0.351CS..Hα-helixtrans-75-32.2179.9-74.5-1.6000113.3M1 F54 T56 T60 Q61 M67 E68 F80M1-F64 HydrophobicContact CB-CE1 4.15Å; M1-F64 HydrophobicContact CB-CZ 3.72Å; M1-F64 HydrophobicContact CG-CE1 4.13Å; M1-F64 HydrophobicContact CG-CE2 4.01Å; M1-F64 HydrophobicContact CG-CZ 3.52Å; F54-F64 AromaticContact CD1-CD2 3.69Å; F54-F64 HydrophobicContact CD1-CD2 3.69Å; F54-F64 AromaticContact CD1-CE2 3.66Å; F54-F64 HydrophobicContact CD1-CE2 3.66Å; F54-F64 AromaticContact CE1-CD2 3.91Å; F54-F64 HydrophobicContact CE1-CD2 3.91Å; F54-F64 AromaticContact CE1-CE2 3.83Å; F54-F64 HydrophobicContact CE1-CE2 3.83Å; F54-F64 HydrophobicContact CG-CD2 4.01Å; F54-F64 HydrophobicContact CG-CE2 4.4Å; F54-F64 HydrophobicContact CZ-CD2 4.43Å; T56-F64 HydrophobicContact CG2-CD2 4.31Å; T56-F64 HydrophobicContact CG2-CE2 4.27Å; T60-F64 HydrophobicContact CG2-CD2 4.39Å; T60-F64 HydrophobicContact CG2-CE1 4.4Å; T60-F64 HydrophobicContact CG2-CE2 4.07Å; T60-F64 HydrophobicContact CG2-CZ 4.06Å; T60-F64 PolarHBondContact O-N 3.19Å; Q61-F64 PolarHBondContact O-N 3.23Å; Q61-F64 VanDerWaalsContact O-N 3.12Å; F64-M67 HydrophobicContact CD1-CE 4.09Å; F64-M67 HydrophobicContact CG-CE 4.4Å; F64-M67 WeakPolarHBondContact O-CB 3.01Å; F64-M67 PolarHBondContact O-N 3.06Å; F64-E68 PolarHBondContact O-N 3.46Å; F64-F80 HydrophobicContact CB-CE1 3.5Å; F64-F80 HydrophobicContact CB-CZ 3.84Å; F64-F80 HydrophobicContact CD2-CE1 4.24Å; F64-F80 HydrophobicContact CG-CE1 4.42Å
65Q93.7Very high92Very high60 Ų6075.7 Ų75.728%0.2837%0.374SS..Hα-helixtrans-63.7-43.5171.6-73.9176.8-40.400111.2Q61 L62 M67 E68 Q69 F80Q61-Q65 HydrophobicContact CG-CG 4.24Å; Q61-Q65 WeakPolarHBondContact O-CG 3.41Å; Q61-Q65 PolarHBondContact O-N 3.08Å; L62-Q65 PolarHBondContact O-N 2.67Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; Q65-M67 PolarHBondContact O-N 2.95Å; Q65-E68 PolarHBondContact O-N 3.15Å; Q65-Q69 WeakPolarHBondContact O-CG 3.35Å; Q65-Q69 PolarHBondContact O-N 2.99Å; Q65-F80 HydrophobicContact CG-CD2 3.97Å; Q65-F80 HydrophobicContact CG-CE1 4.48Å; Q65-F80 HydrophobicContact CG-CE2 3.47Å; Q65-F80 VanDerWaalsContact CG-CE2 3.47Å; Q65-F80 HydrophobicContact CG-CZ 3.76Å
66K93Very high91.9Very high134 Ų13474.5 Ų74.558%0.58337%0.368SS*.Hα-helixtrans-61.6-38.8172.5-173.7174-177.5175.20111.7L62 N70L62-K66 PolarHBondContact O-N 2.9Å; K66-N70 WeakPolarHBondContact O-CB 3.32Å; K66-N70 PolarHBondContact O-N 2.98Å; K66-N70 PolarHBondContact O-ND2 3.41Å
67M90.5Very high91.9Very high21 Ų2179.4 Ų79.410%0.10339%0.388CS..Hα-helixtrans-63.2-46.8175.1-174.4178.375.100111.8I5 K63 F64 Q65 Q69 N70 W71 F78I5-M67 HydrophobicContact CD1-CE 3.51Å; K63-M67 PolarHBondContact O-N 2.95Å; F64-M67 HydrophobicContact CD1-CE 4.09Å; F64-M67 HydrophobicContact CG-CE 4.4Å; F64-M67 WeakPolarHBondContact O-CB 3.01Å; F64-M67 PolarHBondContact O-N 3.06Å; Q65-M67 VanDerWaalsContact C-N 3.29Å; Q65-M67 PolarHBondContact O-N 2.95Å; M67-Q69 PolarHBondContact O-N 3.42Å; M67-N70 PolarHBondContact O-N 3.4Å; M67-W71 HydrophobicContact CG-CE3 4.33Å; M67-W71 VanDerWaalsContact O-CB 3.26Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.33Å; M67-F78 HydrophobicContact CE-CE2 3.7Å; M67-F78 HydrophobicContact CE-CZ 4.32Å
68E90.6Very high92Very high60 Ų6077 Ų7728%0.2838%0.375SS..Hα-helixtrans-56.9-50.1176.6-175179.4-152.700111.5F64 Q65 N70 W71 Q72 F78F64-E68 PolarHBondContact O-N 3.46Å; Q65-E68 PolarHBondContact O-N 3.15Å; E68-N70 PolarHBondContact O-N 3.22Å; E68-W71 PolarHBondContact O-N 2.93Å; E68-Q72 PolarHBondContact O-N 2.94Å; E68-F78 HydrophobicContact CB-CD2 3.61Å; E68-F78 HydrophobicContact CB-CE2 3.86Å; E68-F78 HydrophobicContact CB-CG 4.14Å; E68-F78 VanDerWaalsContact CD-CB 3.48Å; E68-F78 HydrophobicContact CG-CB 4.3Å; E68-F78 HydrophobicContact CG-CD1 4.34Å; E68-F78 HydrophobicContact CG-CD2 3.94Å; E68-F78 HydrophobicContact CG-CE2 4.33Å; E68-F78 HydrophobicContact CG-CG 3.93Å; E68-F78 VanDerWaalsContact OE1-CB 3.31Å; E68-F78 WeakPolarHBondContact OE1-CB 3.29Å; E68-F78 PolarHBondContact OE1-N 3.31Å
69Q90.2Very high92.2Very high140 Ų14072.9 Ų72.965%0.65436%0.357SS*.Hα-helixtrans-60.1-43.3179.2-72.7174.2-10.700112.5Q65 M67 Q72Q65-Q69 WeakPolarHBondContact O-CG 3.35Å; Q65-Q69 PolarHBondContact O-N 2.99Å; M67-Q69 PolarHBondContact O-N 3.42Å; Q69-Q72 VanDerWaalsContact O-CG 3.26Å; Q69-Q72 WeakPolarHBondContact O-CG 3.36Å
70N90.2Very high92.3Very high104 Ų10470.3 Ų70.356%0.55634%0.337SS*.Hα-helixtrans-72.9-30.3-178.8-72.4-16.8000113K66 M67 E68K66-N70 WeakPolarHBondContact O-CB 3.32Å; K66-N70 PolarHBondContact O-N 2.98Å; K66-N70 PolarHBondContact O-ND2 3.41Å; M67-N70 PolarHBondContact O-N 3.4Å; E68-N70 PolarHBondContact O-N 3.22Å
71W91.3Very high92.5Very high14 Ų1469.4 Ų69.45%0.05333%0.328CS..Hα-helixtrans-82.7-33.9-173.9-155.3-11.1000112.4I5 K6 L9 M67 E68 L73 Q311 F314I5-W71 HydrophobicContact CB-CH2 3.88Å; I5-W71 HydrophobicContact CB-CZ3 3.85Å; I5-W71 HydrophobicContact CD1-CZ3 4.31Å; I5-W71 HydrophobicContact CG2-CE3 4.49Å; I5-W71 HydrophobicContact CG2-CH2 3.45Å; I5-W71 VanDerWaalsContact CG2-CH2 3.45Å; I5-W71 HydrophobicContact CG2-CZ3 3.39Å; K6-W71 HydrophobicContact CG-CH2 3.65Å; K6-W71 HydrophobicContact CG-CZ2 3.8Å; L9-W71 HydrophobicContact CD1-CH2 3.42Å; L9-W71 VanDerWaalsContact CD1-CH2 3.42Å; L9-W71 HydrophobicContact CD1-CZ2 3.22Å; L9-W71 HydrophobicContact CD1-CZ3 4.31Å; M67-W71 HydrophobicContact CG-CE3 4.33Å; M67-W71 VanDerWaalsContact O-CB 3.26Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.33Å; E68-W71 PolarHBondContact O-N 2.93Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 HydrophobicContact CB-CD1 4.38Å; W71-L73 HydrophobicContact CB-CG 4.15Å; W71-L73 HydrophobicContact CD2-CD1 3.45Å; W71-L73 VanDerWaalsContact CD2-CD1 3.45Å; W71-L73 HydrophobicContact CD2-CD2 4.06Å; W71-L73 HydrophobicContact CD2-CG 3.78Å; W71-L73 HydrophobicContact CE3-CD1 3.56Å; W71-L73 HydrophobicContact CE3-CG 4.39Å; W71-L73 HydrophobicContact CG-CD1 3.82Å; W71-L73 HydrophobicContact CG-CD2 4.02Å; W71-L73 HydrophobicContact CG-CG 3.63Å; W71-L73 HydrophobicContact CH2-CD1 4.4Å; W71-L73 HydrophobicContact CZ2-CD1 4.32Å; W71-L73 HydrophobicContact CZ2-CD2 4.38Å; W71-L73 HydrophobicContact CZ3-CD1 4.05Å; W71-L73 PolarHBondContact O-N 2.87Å; W71-Q311 VanDerWaalsContact CD1-O 3.29Å; W71-Q311 HydrophobicContact CD2-CB 4.09Å; W71-Q311 HydrophobicContact CD2-CG 4.11Å; W71-Q311 HydrophobicContact CE3-CG 4.45Å; W71-Q311 HydrophobicContact CG-CB 4.05Å; W71-Q311 HydrophobicContact CG-CG 4.49Å; W71-Q311 HydrophobicContact CZ2-CB 4.49Å; W71-Q311 HydrophobicContact CZ2-CG 4.32Å; W71-Q311 PolarHBondContact NE1-O 3.33Å; W71-F314 HydrophobicContact CZ2-CB 3.9Å; W71-F314 AromaticContact CZ2-CD2 3.96Å; W71-F314 HydrophobicContact CZ2-CD2 3.96Å; W71-F314 HydrophobicContact CZ2-CG 4.01Å
72Q86.5Confident92.4Very high162 Ų16270.8 Ų70.876%0.75733%0.334SS*.  trans54.343.8176.9-55.9-175.4-38.200113.4E68 Q69E68-Q72 PolarHBondContact O-N 2.94Å; Q69-Q72 VanDerWaalsContact O-CG 3.26Å; Q69-Q72 WeakPolarHBondContact O-CG 3.36Å
73L90.6Very high92.3Very high24 Ų2467 Ų6713%0.12631%0.314CS..  trans-68.3132.2178.8-66.6166000111.1L9 W71 M76 F78 F314L9-L73 HydrophobicContact CD1-CD1 3.96Å; L9-L73 HydrophobicContact CD1-CD2 3.8Å; L9-L73 HydrophobicContact CD2-CD2 4.32Å; W71-L73 VanDerWaalsContact C-N 3.31Å; W71-L73 HydrophobicContact CB-CD1 4.38Å; W71-L73 HydrophobicContact CB-CG 4.15Å; W71-L73 HydrophobicContact CD2-CD1 3.45Å; W71-L73 VanDerWaalsContact CD2-CD1 3.45Å; W71-L73 HydrophobicContact CD2-CD2 4.06Å; W71-L73 HydrophobicContact CD2-CG 3.78Å; W71-L73 HydrophobicContact CE3-CD1 3.56Å; W71-L73 HydrophobicContact CE3-CG 4.39Å; W71-L73 HydrophobicContact CG-CD1 3.82Å; W71-L73 HydrophobicContact CG-CD2 4.02Å; W71-L73 HydrophobicContact CG-CG 3.63Å; W71-L73 HydrophobicContact CH2-CD1 4.4Å; W71-L73 HydrophobicContact CZ2-CD1 4.32Å; W71-L73 HydrophobicContact CZ2-CD2 4.38Å; W71-L73 HydrophobicContact CZ3-CD1 4.05Å; W71-L73 PolarHBondContact O-N 2.87Å; L73-M76 HydrophobicContact CB-CB 3.8Å; L73-M76 HydrophobicContact CB-CG 4.17Å; L73-M76 HydrophobicContact CB-SD 4.02Å; L73-M76 HydrophobicContact CD1-SD 3.56Å; L73-M76 VanDerWaalsContact CD1-SD 3.56Å; L73-M76 HydrophobicContact CG-SD 4.27Å; L73-F78 HydrophobicContact CD1-CZ 4.42Å; L73-F314 HydrophobicContact CD2-CB 4.23Å
74I89.6Confident92.2Very high96 Ų9665.6 Ų65.649%0.49231%0.31SS..THydrogen-bonded Turntrans-79140.4177.9-58.8171.7000108.9R14 M76 Y315R14-I74 PolarHBondContact NH1-O 3.43Å; I74-M76 PolarHBondContact O-N 3.25Å; I74-M76 VanDerWaalsContact O-N 3.11Å; I74-Y315 WeakPolarHBondContact CB-OXT 3Å; I74-Y315 PolarHBondContact N-OXT 3.45Å
75N91.3Very high92.2Very high101 Ų10172.6 Ų72.654%0.5434%0.336SS..THydrogen-bonded Turntrans5432.2179.1-63.5-24.2000113.2P49 I50P49-N75 VanDerWaalsContact CA-O 3.27Å; P49-N75 WeakPolarHBondContact CA-O 2.64Å; P49-N75 HydrophobicContact CB-CB 4.33Å; I50-N75 PolarHBondContact N-O 3.37Å; I50-N75 VanDerWaalsContact N-O 3.07Å
76M92Very high92.1Very high22 Ų2271.6 Ų71.611%0.10833%0.33CS..EExtended strand (participates in β ladder)trans-128.7138.4173.1-76.4-159142.400110.5L9 I50 F52 L73 I74L9-M76 HydrophobicContact CD2-CE 3.34Å; L9-M76 HydrophobicContact CD2-SD 3.54Å; L9-M76 VanDerWaalsContact CD2-SD 3.54Å; L9-M76 HydrophobicContact CG-CE 4.12Å; L9-M76 HydrophobicContact CG-SD 4.41Å; I50-M76 HydrophobicContact CB-CE 3.71Å; I50-M76 HydrophobicContact CB-CG 4.38Å; I50-M76 HydrophobicContact CD1-CE 3.76Å; I50-M76 HydrophobicContact CG1-CE 4.14Å; I50-M76 HydrophobicContact CG2-CE 3.95Å; I50-M76 VanDerWaalsContact O-CA 3.31Å; I50-M76 WeakPolarHBondContact O-CA 3.38Å; F52-M76 HydrophobicContact CD2-CE 4.44Å; F52-M76 HydrophobicContact CE2-CE 3.32Å; F52-M76 HydrophobicContact CE2-SD 3.75Å; F52-M76 HydrophobicContact CZ-CE 3.67Å; L73-M76 HydrophobicContact CB-CB 3.8Å; L73-M76 HydrophobicContact CB-CG 4.17Å; L73-M76 HydrophobicContact CB-SD 4.02Å; L73-M76 HydrophobicContact CD1-SD 3.56Å; L73-M76 VanDerWaalsContact CD1-SD 3.56Å; L73-M76 HydrophobicContact CG-SD 4.27Å; I74-M76 PolarHBondContact O-N 3.25Å; I74-M76 VanDerWaalsContact O-N 3.11Å
77K92.7Very high91.9Very high113 Ų11367 Ų6749%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-132.3131.1-179.9-177.5175-177.1175.70110.2I50 T51 F52 Q79I50-K77 PolarHBondContact O-N 3.31Å; T51-K77 CarbonylContact C-O 3.58Å; T51-K77 WeakPolarHBondContact CA-O 3.44Å; T51-K77 HydrophobicContact CG2-CB 4.35Å; F52-K77 PolarHBondContact N-O 3.14Å; K77-Q79 HydrophobicContact CD-CG 4.4Å; K77-Q79 HydrophobicContact CG-CG 4.28Å
78F95Very high91.9Very high13 Ų1371 Ų716%0.05733%0.333CS..EExtended strand (participates in β ladder)trans-101.1133.6172.5-59.69.7000108.7I5 F52 F54 M67 E68 L73 F80I5-F78 HydrophobicContact CD1-CZ 4.28Å; F52-F78 HydrophobicContact CB-CD1 4.27Å; F52-F78 AromaticContact CD2-CD1 3.78Å; F52-F78 HydrophobicContact CD2-CD1 3.78Å; F52-F78 AromaticContact CD2-CE1 3.54Å; F52-F78 HydrophobicContact CD2-CE1 3.54Å; F52-F78 HydrophobicContact CD2-CZ 4.39Å; F52-F78 HydrophobicContact CE2-CE1 4.03Å; F52-F78 HydrophobicContact CG-CD1 4.49Å; F54-F78 HydrophobicContact CD2-CB 4.09Å; F54-F78 HydrophobicContact CD2-CD2 4.39Å; F54-F78 HydrophobicContact CD2-CG 4.36Å; F54-F78 HydrophobicContact CE2-CB 3.82Å; F54-F78 HydrophobicContact CE2-CD1 4.18Å; F54-F78 AromaticContact CE2-CD2 3.57Å; F54-F78 HydrophobicContact CE2-CD2 3.57Å; F54-F78 HydrophobicContact CE2-CE2 4.15Å; F54-F78 AromaticContact CE2-CG 3.6Å; F54-F78 HydrophobicContact CE2-CG 3.6Å; F54-F78 HydrophobicContact CZ-CD2 4.24Å; F54-F78 HydrophobicContact CZ-CE2 4.39Å; M67-F78 HydrophobicContact CE-CE2 3.7Å; M67-F78 HydrophobicContact CE-CZ 4.32Å; E68-F78 HydrophobicContact CB-CD2 3.61Å; E68-F78 HydrophobicContact CB-CE2 3.86Å; E68-F78 HydrophobicContact CB-CG 4.14Å; E68-F78 VanDerWaalsContact CD-CB 3.48Å; E68-F78 HydrophobicContact CG-CB 4.3Å; E68-F78 HydrophobicContact CG-CD1 4.34Å; E68-F78 HydrophobicContact CG-CD2 3.94Å; E68-F78 HydrophobicContact CG-CE2 4.33Å; E68-F78 HydrophobicContact CG-CG 3.93Å; E68-F78 VanDerWaalsContact OE1-CB 3.31Å; E68-F78 WeakPolarHBondContact OE1-CB 3.29Å; E68-F78 PolarHBondContact OE1-N 3.31Å; L73-F78 HydrophobicContact CD1-CZ 4.42Å; F78-F80 HydrophobicContact CB-CE2 3.8Å; F78-F80 HydrophobicContact CB-CZ 3.77Å; F78-F80 HydrophobicContact CD2-CZ 4.16Å
79Q96.4Very high91.9Very high23 Ų2371.4 Ų71.411%0.10733%0.334CS..EExtended strand (participates in β ladder)trans-123.2134.7175.6-62.8-1692.600108.8T51 F52 H53 F54 K77 Y81 Y116T51-Q79 HydrophobicContact CG2-CG 3.84Å; F52-Q79 PolarHBondContact O-N 3.14Å; H53-Q79 PolarHBondContact CE1-OE1 2.83Å; H53-Q79 PolarHBondContact ND1-OE1 2.84Å; F54-Q79 PolarHBondContact N-O 2.8Å; K77-Q79 HydrophobicContact CD-CG 4.4Å; K77-Q79 HydrophobicContact CG-CG 4.28Å; Q79-Y81 HydrophobicContact CB-CE2 3.77Å; Q79-Y81 PolarHBondContact OE1-OH 3.44Å; Q79-Y116 PolarHBondContact NE2-OH 2.91Å; Q79-Y116 PolarHBondContact OE1-OH 2.79Å
80F96.5Very high91.7Very high40 Ų4064.8 Ų64.818%0.17530%0.303CS..EExtended strand (participates in β ladder)trans-117.3137.5-172.2-60.5-82000111.3F54 Q61 F64 Q65 F78F54-F80 HydrophobicContact CB-CD1 3.76Å; F54-F80 HydrophobicContact CB-CE1 4.01Å; F54-F80 HydrophobicContact CD2-CD1 4.23Å; F54-F80 AromaticContact CD2-CE1 3.76Å; F54-F80 HydrophobicContact CD2-CE1 3.76Å; F54-F80 HydrophobicContact CD2-CZ 4.24Å; F54-F80 HydrophobicContact CG-CD1 4.33Å; F54-F80 HydrophobicContact CG-CE1 4.09Å; F54-F80 CarbonylContact O-C 3.59Å; F54-F80 WeakPolarHBondContact O-CA 3.33Å; Q61-F80 HydrophobicContact CB-CD1 4.33Å; Q61-F80 HydrophobicContact CG-CB 3.89Å; Q61-F80 HydrophobicContact CG-CD1 3.78Å; Q61-F80 HydrophobicContact CG-CD2 4.41Å; Q61-F80 HydrophobicContact CG-CE1 4.44Å; Q61-F80 HydrophobicContact CG-CG 3.76Å; F64-F80 HydrophobicContact CB-CE1 3.5Å; F64-F80 HydrophobicContact CB-CZ 3.84Å; F64-F80 HydrophobicContact CD2-CE1 4.24Å; F64-F80 HydrophobicContact CG-CE1 4.42Å; Q65-F80 HydrophobicContact CG-CD2 3.97Å; Q65-F80 HydrophobicContact CG-CE1 4.48Å; Q65-F80 HydrophobicContact CG-CE2 3.47Å; Q65-F80 VanDerWaalsContact CG-CE2 3.47Å; Q65-F80 HydrophobicContact CG-CZ 3.76Å; F78-F80 HydrophobicContact CB-CE2 3.8Å; F78-F80 HydrophobicContact CB-CZ 3.77Å; F78-F80 HydrophobicContact CD2-CZ 4.16Å
81Y96.3Very high91.4Very high29 Ų2964.8 Ų64.811%0.11430%0.303CS..EExtended strand (participates in β ladder)trans-132.1120.5-179.1-55.6-93.5000108.1H53 F54 I55 T56 Q79 N83 I112 L113 P114H53-Y81 HydrophobicContact CB-CD2 4.46Å; H53-Y81 HydrophobicContact CB-CE2 3.89Å; H53-Y81 AromaticContact ND1-CE2 3.44Å; H53-Y81 WeakPolarHBondContact ND1-CE2 3.36Å; H53-Y81 AromaticContact ND1-CZ 3.62Å; H53-Y81 PolarHBondContact ND1-OH 3.17Å; H53-Y81 VanDerWaalsContact ND1-OH 3.07Å; F54-Y81 PolarHBondContact O-N 2.82Å; I55-Y81 WeakPolarHBondContact CA-O 3.5Å; T56-Y81 PolarHBondContact N-O 3.1Å; Q79-Y81 HydrophobicContact CB-CE2 3.77Å; Q79-Y81 PolarHBondContact OE1-OH 3.44Å; Y81-N83 PolarHBondContact O-N 3.29Å; Y81-I112 HydrophobicContact CD1-CG2 3.71Å; Y81-I112 WeakPolarHBondContact CD1-O 3.34Å; Y81-I112 WeakPolarHBondContact CE1-O 3.37Å; Y81-I112 HydrophobicContact CG-CG2 3.74Å; Y81-L113 HydrophobicContact CD2-CD2 4.2Å; Y81-L113 HydrophobicContact CE1-CD2 4.24Å; Y81-L113 HydrophobicContact CE2-CD2 3.76Å; Y81-P114 HydrophobicContact CE1-CG 4.32Å; Y81-P114 WeakPolarHBondContact OH-CD 3.45Å; Y81-P114 WeakPolarHBondContact OH-CG 3.42Å
82E94.4Very high91.1Very high56 Ų5667.7 Ų67.726%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-75.4115.7-175-176.6174.4-156.200110.8T56 Q84 R85 Y86T56-E82 WeakPolarHBondContact O-CA 3.31Å; E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 HydrophobicContact CG-CB 4.3Å; E82-Q84 PolarHBondContact O-N 3.24Å; E82-R85 HydrophobicContact CB-CG 4.29Å; E82-R85 HydrophobicContact CG-CG 4.4Å; E82-R85 PolarHBondContact O-N 2.78Å; E82-R85 IonicContact OE2-CZ 2.69Å; E82-R85 IonicContact OE2-NE 2.58Å; E82-R85 PolarHBondContact OE2-NE 2.91Å; E82-R85 IonicContact OE2-NH2 3.77Å; E82-R85 PolarHBondContact OE2-NH2 2.76Å; E82-Y86 WeakPolarHBondContact O-CD2 3.37Å
83N91.7Very high90.8Very high15 Ų1560.7 Ų60.78%0.0828%0.283CS..THydrogen-bonded Turntrans-63.3-33.8-173.963.24.2000113.4I55 T56 D57 Y81 R85 Y86 L87 L105I55-N83 HydrophobicContact CG2-CB 3.7Å; T56-N83 PolarHBondContact O-N 3.3Å; T56-N83 PolarHBondContact O-OD1 3.04Å; D57-N83 PolarHBondContact N-ND2 3.14Å; Y81-N83 PolarHBondContact O-N 3.29Å; N83-R85 PolarHBondContact O-N 3.49Å; N83-Y86 PolarHBondContact O-N 3.08Å; N83-L87 PolarHBondContact O-N 3.07Å; N83-L105 HydrophobicContact CB-CD1 3.83Å
84Q90.7Very high89.9Confident126 Ų12666.9 Ų66.959%0.58932%0.315SS*.Hα-helixtrans-56-30.1-176.4-170.762.337.400112.6E82 Y86E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 HydrophobicContact CG-CB 4.3Å; E82-Q84 PolarHBondContact O-N 3.24Å; Q84-Y86 PolarHBondContact O-N 3.15Å
85R92.9Very high88.9Confident171 Ų17164.7 Ų64.765%0.64531%0.308SS*.Hα-helixtrans-65.5-18178.8-59.7-177.8-175.1-158.5-3.3113.9E82 N83E82-R85 HydrophobicContact CB-CG 4.29Å; E82-R85 HydrophobicContact CG-CG 4.4Å; E82-R85 PolarHBondContact O-N 2.78Å; E82-R85 IonicContact OE2-CZ 2.69Å; E82-R85 IonicContact OE2-NE 2.58Å; E82-R85 PolarHBondContact OE2-NE 2.91Å; E82-R85 IonicContact OE2-NH2 3.77Å; E82-R85 PolarHBondContact OE2-NH2 2.76Å; N83-R85 PolarHBondContact O-N 3.49Å
86Y92.7Very high87.4Confident39 Ų3969.4 Ų69.415%0.15332%0.324CS..Hα-helixtrans-119-9.5-171.5-55.7-77.6000113.1E82 N83 Q84 N88 K89 I112E82-Y86 WeakPolarHBondContact O-CD2 3.37Å; N83-Y86 PolarHBondContact O-N 3.08Å; Q84-Y86 PolarHBondContact O-N 3.15Å; Y86-N88 VanDerWaalsContact C-N 3.28Å; Y86-N88 PolarHBondContact O-N 3.01Å; Y86-K89 WeakPolarHBondContact O-CB 3.1Å; Y86-K89 PolarHBondContact O-N 3.28Å; Y86-I112 HydrophobicContact CD1-CD1 4.38Å; Y86-I112 HydrophobicContact CD1-CG1 3.78Å; Y86-I112 HydrophobicContact CD2-CD1 4.05Å; Y86-I112 HydrophobicContact CD2-CG1 3.93Å; Y86-I112 HydrophobicContact CE1-CB 4.5Å; Y86-I112 HydrophobicContact CE1-CG1 3.64Å; Y86-I112 HydrophobicContact CE2-CB 4.47Å; Y86-I112 HydrophobicContact CE2-CD1 4.34Å; Y86-I112 HydrophobicContact CE2-CG1 3.8Å; Y86-I112 HydrophobicContact CE2-CG2 4.15Å; Y86-I112 HydrophobicContact CG-CD1 4.07Å; Y86-I112 HydrophobicContact CG-CG1 3.92Å
87L88Confident85.8Confident37 Ų3773.9 Ų73.919%0.19434%0.344CS..Hα-helixtrans-62.8-34.3-176.1-71.9-177.1000112.7N83 K89 I90 D91 L105N83-L87 PolarHBondContact O-N 3.07Å; L87-K89 PolarHBondContact O-N 3.29Å; L87-K89 VanDerWaalsContact O-N 3.09Å; L87-I90 HydrophobicContact CD2-CD1 4.12Å; L87-I90 VanDerWaalsContact O-CG1 3.31Å; L87-I90 WeakPolarHBondContact O-CG1 3.07Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-D91 PolarHBondContact O-N 2.89Å; L87-L105 HydrophobicContact CD2-CD1 4.36Å; L87-L105 HydrophobicContact CD2-CD2 4.29Å
88N90.1Very high84Confident105 Ų10572 Ų7256%0.56135%0.345SS*.THydrogen-bonded Turntrans-62.8-13175.367.7-21.7000114.3Y86Y86-N88 VanDerWaalsContact C-N 3.28Å; Y86-N88 PolarHBondContact O-N 3.01Å
89K90.1Very high82.3Confident70 Ų7074.2 Ų74.230%0.30436%0.363SS..THydrogen-bonded Turntrans-87.8-10.1176.3-61.6-170170-173.90113.1Y86 L87 W92 L108 E111Y86-K89 WeakPolarHBondContact O-CB 3.1Å; Y86-K89 PolarHBondContact O-N 3.28Å; L87-K89 PolarHBondContact O-N 3.29Å; L87-K89 VanDerWaalsContact O-N 3.09Å; K89-W92 PolarHBondContact O-NE1 3.21Å; K89-L108 HydrophobicContact CB-CD1 4.02Å; K89-L108 HydrophobicContact CB-CD2 4.43Å; K89-L108 HydrophobicContact CD-CD1 4.47Å; K89-L108 HydrophobicContact CD-CD2 4.43Å; K89-E111 IonicContact NZ-OE1 2.7Å; K89-E111 PolarHBondContact NZ-OE1 3.09Å; K89-E111 IonicContact NZ-OE2 3.61Å; K89-E111 PolarHBondContact NZ-OE2 3.14Å
90I87.6Confident80.9Confident0 Ų076.3 Ų76.30%037%0.374CS..THydrogen-bonded Turntrans-136.2-2.7-172.757.4172.5000113.2L87 W92 V93 I101 C104 L105 L108 W196L87-I90 HydrophobicContact CD2-CD1 4.12Å; L87-I90 VanDerWaalsContact O-CG1 3.31Å; L87-I90 WeakPolarHBondContact O-CG1 3.07Å; L87-I90 PolarHBondContact O-N 2.86Å; I90-W92 PolarHBondContact O-N 3.37Å; I90-V93 VanDerWaalsContact O-CB 3.28Å; I90-V93 WeakPolarHBondContact O-CB 3.43Å; I90-V93 WeakPolarHBondContact O-CG2 3.02Å; I90-V93 PolarHBondContact O-N 3.02Å; I90-I101 HydrophobicContact CD1-CG2 4.1Å; I90-I101 WeakPolarHBondContact CD1-O 3.35Å; I90-I101 HydrophobicContact CG1-CG2 4.2Å; I90-C104 HydrophobicContact CB-CB 4.4Å; I90-C104 HydrophobicContact CD1-CB 4.21Å; I90-C104 HydrophobicContact CG2-CB 4.22Å; I90-L105 HydrophobicContact CD1-CD2 3.7Å; I90-L105 HydrophobicContact CD1-CG 3.77Å; I90-L108 HydrophobicContact CG2-CD1 4.02Å; I90-L108 HydrophobicContact CG2-CG 4.42Å; I90-W196 HydrophobicContact CG2-CH2 3.98Å
91D83.7Confident79.6Confident104 Ų10476.4 Ų76.456%0.55638%0.376SS*.THydrogen-bonded Turntrans-62.4-26.3177.859.2-3.1000113.4L87 V93L87-D91 PolarHBondContact O-N 2.89Å; D91-V93 PolarHBondContact O-N 3.47Å
92W84.7Confident78.6Confident76 Ų7681.1 Ų81.129%0.28839%0.394SS..THydrogen-bonded Turntrans-69.7-11.917264.8-87.4000113.8K89 I90 L94 W196 M197 I200 K201 M204K89-W92 PolarHBondContact O-NE1 3.21Å; I90-W92 PolarHBondContact O-N 3.37Å; W92-L94 PolarHBondContact O-N 3.22Å; W92-W196 HydrophobicContact CH2-CZ3 4.27Å; W92-W196 AromaticContact CZ2-CH2 3.98Å; W92-W196 HydrophobicContact CZ2-CH2 3.98Å; W92-W196 AromaticContact CZ2-CZ3 3.64Å; W92-W196 HydrophobicContact CZ2-CZ3 3.64Å; W92-M197 HydrophobicContact CH2-CB 4.41Å; W92-M197 HydrophobicContact CZ2-CB 4.29Å; W92-M197 HydrophobicContact CZ2-CG 3.97Å; W92-I200 HydrophobicContact CH2-CB 3.97Å; W92-I200 HydrophobicContact CH2-CG2 3.75Å; W92-I200 HydrophobicContact CZ3-CB 4.44Å; W92-I200 HydrophobicContact CZ3-CG2 3.81Å; W92-K201 HydrophobicContact CH2-CG 3.92Å; W92-K201 HydrophobicContact CZ3-CD 4.46Å; W92-K201 HydrophobicContact CZ3-CG 3.59Å; W92-M204 HydrophobicContact CE3-CE 3.72Å; W92-M204 HydrophobicContact CZ3-CE 3.4Å
93V80.3Confident78Confident15 Ų1580.9 Ų80.99%0.09140%0.398CS..SBendtrans-79.7115176.1-176.50000109I90 D91 S95 I200I90-V93 VanDerWaalsContact O-CB 3.28Å; I90-V93 WeakPolarHBondContact O-CB 3.43Å; I90-V93 WeakPolarHBondContact O-CG2 3.02Å; I90-V93 PolarHBondContact O-N 3.02Å; D91-V93 PolarHBondContact O-N 3.47Å; V93-S95 PolarHBondContact O-N 3.25Å; V93-I200 HydrophobicContact CG1-CG2 4.27Å; V93-I200 HydrophobicContact CG2-CD1 4.35Å; V93-I200 HydrophobicContact CG2-CG2 4.18Å
94L70.6Confident77.8Confident154 Ų15481.2 Ų81.281%0.80640%0.402SS*.  trans-75.6122.5-179.9-61.9176.4000110.6W92W92-L94 PolarHBondContact O-N 3.22Å
95S69.9Low77.8Confident49 Ų4975.7 Ų75.734%0.34338%0.376SS..  trans-140.2151.4163.6-178.90000111.5V93 H97 D100V93-S95 PolarHBondContact O-N 3.25Å; S95-H97 VanDerWaalsContact C-N 3.25Å; S95-H97 PolarHBondContact O-N 2.99Å; S95-H97 PolarHBondContact OG-N 3.5Å; S95-H97 VanDerWaalsContact OG-N 3.15Å; S95-H97 PolarHBondContact OG-O 3.35Å; S95-D100 VanDerWaalsContact OG-CB 3.26Å; S95-D100 WeakPolarHBondContact OG-CB 3.45Å; S95-D100 PolarHBondContact OG-OD2 3.27Å
96K59.2Low77.9Confident200 Ų20069.1 Ų69.187%0.8735%0.352SS*.SBendtrans-68.7-23.2171.2-67-173.3177.1-176.40112.8
97H59Low77.9Confident116 Ų11669.4 Ų69.454%0.53736%0.356SS..SBendtrans-122.2127.1-178.4-54.6-70.8000111.3S95 S99 D100S95-H97 VanDerWaalsContact C-N 3.25Å; S95-H97 PolarHBondContact O-N 2.99Å; S95-H97 PolarHBondContact OG-N 3.5Å; S95-H97 VanDerWaalsContact OG-N 3.15Å; S95-H97 PolarHBondContact OG-O 3.35Å; H97-S99 WeakPolarHBondContact CB-OG 3.44Å; H97-S99 PolarHBondContact O-N 3.3Å; H97-S99 VanDerWaalsContact O-N 3.12Å; H97-D100 IonicContact CD2-OD2 2.68Å; H97-D100 WeakPolarHBondContact O-CB 3.47Å; H97-D100 PolarHBondContact O-N 3.28Å
98S55.2Low78.3Confident74 Ų7467.6 Ų67.652%0.51735%0.347SS..Hα-helixtrans-55.9-28.317667.50000113.6D100 I101 R102S98-D100 VanDerWaalsContact C-N 3.25Å; S98-D100 PolarHBondContact O-N 3.11Å; S98-I101 PolarHBondContact O-N 3.17Å; S98-R102 PolarHBondContact O-N 2.95Å; S98-R102 PolarHBondContact OG-NH1 2.77Å
99S59.4Low78.6Confident60 Ų6063.1 Ų63.142%0.4232%0.323SS..Hα-helixtrans-60.1-35.2173.148.80000112.6H97 R102 S103H97-S99 WeakPolarHBondContact CB-OG 3.44Å; H97-S99 PolarHBondContact O-N 3.3Å; H97-S99 VanDerWaalsContact O-N 3.12Å; S99-R102 PolarHBondContact O-N 3.45Å; S99-S103 PolarHBondContact O-N 3.26Å; S99-S103 PolarHBondContact O-OG 3.45Å
100D65.2Low78.9Confident67 Ų6760.5 Ų60.536%0.35831%0.313SS..Hα-helixtrans-73.9-37-175.7-54.9-13000110.2S95 H97 S98 R102 S103 C104S95-D100 VanDerWaalsContact OG-CB 3.26Å; S95-D100 WeakPolarHBondContact OG-CB 3.45Å; S95-D100 PolarHBondContact OG-OD2 3.27Å; H97-D100 IonicContact CD2-OD2 2.68Å; H97-D100 WeakPolarHBondContact O-CB 3.47Å; H97-D100 PolarHBondContact O-N 3.28Å; S98-D100 VanDerWaalsContact C-N 3.25Å; S98-D100 PolarHBondContact O-N 3.11Å; D100-R102 VanDerWaalsContact C-N 3.33Å; D100-S103 WeakPolarHBondContact O-CB 3.46Å; D100-S103 PolarHBondContact O-N 2.94Å; D100-C104 PolarHBondContact O-N 3.5Å
101I70.3Confident79.3Confident42 Ų4263.9 Ų63.922%0.21533%0.329CS..Hα-helixtrans-60.9-45.9171.4-60.4171.7000109.5I90 S98 S103 C104I90-I101 HydrophobicContact CD1-CG2 4.1Å; I90-I101 WeakPolarHBondContact CD1-O 3.35Å; I90-I101 HydrophobicContact CG1-CG2 4.2Å; S98-I101 PolarHBondContact O-N 3.17Å; I101-S103 VanDerWaalsContact C-N 3.25Å; I101-S103 PolarHBondContact O-N 2.51Å; I101-C104 VanDerWaalsContact O-CB 3.27Å; I101-C104 WeakPolarHBondContact O-CB 3.44Å; I101-C104 PolarHBondContact O-N 3.38Å
102R75.7Confident79.9Confident128 Ų12859.3 Ų59.348%0.48330%0.304SS..Hα-helixtrans-62.8-32.5176.9-66.6-176.8-168.3112.70.7112.4S98 S99 D100 C104 L105S98-R102 PolarHBondContact O-N 2.95Å; S98-R102 PolarHBondContact OG-NH1 2.77Å; S99-R102 PolarHBondContact O-N 3.45Å; D100-R102 VanDerWaalsContact C-N 3.33Å; R102-C104 PolarHBondContact O-N 3.24Å; R102-L105 HydrophobicContact CB-CD1 4.38Å; R102-L105 WeakPolarHBondContact O-CB 3.39Å; R102-L105 WeakPolarHBondContact O-CD1 3.19Å; R102-L105 WeakPolarHBondContact O-CG 3.15Å; R102-L105 PolarHBondContact O-N 3.29Å
103S81.6Confident80.5Confident51 Ų5156 Ų5636%0.35729%0.292SS..Hα-helixtrans-62.5-28.1173.4-64.10000112.7S99 D100 I101 L105 K106S99-S103 PolarHBondContact O-N 3.26Å; S99-S103 PolarHBondContact O-OG 3.45Å; D100-S103 WeakPolarHBondContact O-CB 3.46Å; D100-S103 PolarHBondContact O-N 2.94Å; I101-S103 VanDerWaalsContact C-N 3.25Å; I101-S103 PolarHBondContact O-N 2.51Å; S103-L105 PolarHBondContact O-N 2.68Å; S103-K106 WeakPolarHBondContact O-CB 3.46Å; S103-K106 VanDerWaalsContact O-CG 3.28Å; S103-K106 WeakPolarHBondContact O-CG 3.37Å; S103-K106 PolarHBondContact O-N 3.44Å
104C86.6Confident81.3Confident22 Ų2257 Ų5715%0.14930%0.298CS..G310 helixtrans-67.2-16.7173.7-62.80000113.6I90 D100 I101 R102 K106 L107I90-C104 HydrophobicContact CB-CB 4.4Å; I90-C104 HydrophobicContact CD1-CB 4.21Å; I90-C104 HydrophobicContact CG2-CB 4.22Å; D100-C104 PolarHBondContact O-N 3.5Å; I101-C104 VanDerWaalsContact O-CB 3.27Å; I101-C104 WeakPolarHBondContact O-CB 3.44Å; I101-C104 PolarHBondContact O-N 3.38Å; R102-C104 PolarHBondContact O-N 3.24Å; C104-K106 PolarHBondContact O-N 3.45Å; C104-K106 VanDerWaalsContact O-N 3.11Å; C104-L107 HydrophobicContact CB-CD1 4.49Å; C104-L107 WeakPolarHBondContact O-CB 3.47Å; C104-L107 PolarHBondContact O-N 3.32Å
105L91.6Very high82.6Confident10 Ų1058.6 Ų58.65%0.05230%0.299CS..G310 helixtrans-57.6-25.9173.6-70.5166.2000112.3I55 N83 L87 I90 R102 S103 L107 L108I55-L105 HydrophobicContact CG2-CD1 3.97Å; N83-L105 HydrophobicContact CB-CD1 3.83Å; L87-L105 HydrophobicContact CD2-CD1 4.36Å; L87-L105 HydrophobicContact CD2-CD2 4.29Å; I90-L105 HydrophobicContact CD1-CD2 3.7Å; I90-L105 HydrophobicContact CD1-CG 3.77Å; R102-L105 HydrophobicContact CB-CD1 4.38Å; R102-L105 WeakPolarHBondContact O-CB 3.39Å; R102-L105 WeakPolarHBondContact O-CD1 3.19Å; R102-L105 WeakPolarHBondContact O-CG 3.15Å; R102-L105 PolarHBondContact O-N 3.29Å; S103-L105 PolarHBondContact O-N 2.68Å; L105-L107 PolarHBondContact O-N 3.43Å; L105-L108 HydrophobicContact CD2-CD1 4.32Å; L105-L108 PolarHBondContact O-N 3.36Å
106K93.7Very high83.9Confident33 Ų3363.7 Ų63.714%0.14331%0.312CS..G310 helixtrans-56-34.9173.7-61.8175.2-175.1175.40111.9S103 C104 L108 L109 V122 D124 S177S103-K106 WeakPolarHBondContact O-CB 3.46Å; S103-K106 VanDerWaalsContact O-CG 3.28Å; S103-K106 WeakPolarHBondContact O-CG 3.37Å; S103-K106 PolarHBondContact O-N 3.44Å; C104-K106 PolarHBondContact O-N 3.45Å; C104-K106 VanDerWaalsContact O-N 3.11Å; K106-L108 PolarHBondContact O-N 3.2Å; K106-L109 HydrophobicContact CB-CD1 4.43Å; K106-L109 WeakPolarHBondContact O-CB 3.14Å; K106-L109 WeakPolarHBondContact O-CD1 3.35Å; K106-L109 VanDerWaalsContact O-CG 3.24Å; K106-L109 WeakPolarHBondContact O-CG 3.02Å; K106-L109 PolarHBondContact O-N 2.95Å; K106-V122 HydrophobicContact CB-CG1 4.5Å; K106-V122 HydrophobicContact CD-CG1 3.93Å; K106-V122 HydrophobicContact CG-CG1 3.87Å; K106-D124 WeakPolarHBondContact CE-OD1 3.37Å; K106-D124 VanDerWaalsContact NZ-CG 3.33Å; K106-D124 IonicContact NZ-OD1 3.38Å; K106-D124 PolarHBondContact NZ-OD1 2.83Å; K106-D124 IonicContact NZ-OD2 2.84Å; K106-D124 PolarHBondContact NZ-OD2 3.4Å; K106-S177 PolarHBondContact NZ-O 2.92Å; K106-S177 PolarHBondContact NZ-OG 3.41Å
107L93.8Very high85.7Confident44 Ų4454.9 Ų54.923%0.2328%0.275CS..G310 helixtrans-68.3-23.3178.7-60.4171.5000112.3C104 L105 W192 W196 I200C104-L107 HydrophobicContact CB-CD1 4.49Å; C104-L107 WeakPolarHBondContact O-CB 3.47Å; C104-L107 PolarHBondContact O-N 3.32Å; L105-L107 PolarHBondContact O-N 3.43Å; L107-W192 HydrophobicContact CD2-CH2 4.39Å; L107-W192 HydrophobicContact CD2-CZ2 3.83Å; L107-W192 PolarHBondContact O-NE1 2.88Å; L107-W196 HydrophobicContact CB-CD2 4.05Å; L107-W196 HydrophobicContact CB-CE3 4.49Å; L107-W196 HydrophobicContact CB-CG 4.18Å; L107-W196 HydrophobicContact CD1-CD2 4Å; L107-W196 HydrophobicContact CD1-CE3 3.69Å; L107-W196 HydrophobicContact CD1-CG 4.36Å; L107-W196 HydrophobicContact CD1-CZ3 4.28Å; L107-W196 HydrophobicContact CD2-CB 4.35Å; L107-I200 HydrophobicContact CD1-CD1 3.75Å
108L95.5Very high87.6Confident0 Ų057.8 Ų57.80%028%0.281CS..G310 helixtrans-89.5-0.3179.5-61.1179.6000113.1K89 I90 L105 K106 P110 E111 I112 W196K89-L108 HydrophobicContact CB-CD1 4.02Å; K89-L108 HydrophobicContact CB-CD2 4.43Å; K89-L108 HydrophobicContact CD-CD1 4.47Å; K89-L108 HydrophobicContact CD-CD2 4.43Å; I90-L108 HydrophobicContact CG2-CD1 4.02Å; I90-L108 HydrophobicContact CG2-CG 4.42Å; L105-L108 HydrophobicContact CD2-CD1 4.32Å; L105-L108 PolarHBondContact O-N 3.36Å; K106-L108 PolarHBondContact O-N 3.2Å; L108-P110 VanDerWaalsContact C-CD 3.43Å; L108-P110 VanDerWaalsContact C-N 3.34Å; L108-E111 WeakPolarHBondContact O-CA 3.44Å; L108-E111 WeakPolarHBondContact O-CB 3.48Å; L108-E111 PolarHBondContact O-N 2.71Å; L108-I112 HydrophobicContact CB-CD1 3.68Å; L108-I112 HydrophobicContact CB-CG1 4.06Å; L108-I112 WeakPolarHBondContact O-CG1 3.33Å; L108-I112 PolarHBondContact O-N 3.35Å; L108-W196 HydrophobicContact CD2-CZ2 3.64Å
109L97Very high89.6Confident11 Ų1157 Ų576%0.05827%0.269CS..Hα-helixtrans-53.6-37.6-178.5-75.5171.4000115.3I55 K106 E111 I112 L113 V122 M182 L184I55-L109 HydrophobicContact CD1-CD2 3.48Å; I55-L109 VanDerWaalsContact CD1-CD2 3.48Å; I55-L109 HydrophobicContact CD1-CG 4.44Å; K106-L109 HydrophobicContact CB-CD1 4.43Å; K106-L109 WeakPolarHBondContact O-CB 3.14Å; K106-L109 WeakPolarHBondContact O-CD1 3.35Å; K106-L109 VanDerWaalsContact O-CG 3.24Å; K106-L109 WeakPolarHBondContact O-CG 3.02Å; K106-L109 PolarHBondContact O-N 2.95Å; L109-E111 PolarHBondContact O-N 3.16Å; L109-I112 PolarHBondContact O-N 3.26Å; L109-L113 HydrophobicContact CB-CD1 4.47Å; L109-L113 HydrophobicContact CD2-CD1 3.86Å; L109-L113 HydrophobicContact CD2-CD2 4.42Å; L109-L113 HydrophobicContact CD2-CG 3.93Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 PolarHBondContact O-N 2.92Å; L109-V122 HydrophobicContact CD1-CB 4.42Å; L109-V122 HydrophobicContact CD1-CG1 4.16Å; L109-V122 HydrophobicContact CD1-CG2 3.35Å; L109-M182 HydrophobicContact CB-SD 4.22Å; L109-M182 HydrophobicContact CD1-SD 3.55Å; L109-M182 VanDerWaalsContact CD1-SD 3.55Å; L109-M182 HydrophobicContact CG-SD 4.49Å; L109-L184 HydrophobicContact CB-CD2 4.24Å
110P96.9Very high91.5Very high14 Ų1455 Ų559%0.09126%0.255CS..Hα-helixtrans-58.9-28.3174-28.839.4000114L108 L184 L187 R188 W192L108-P110 VanDerWaalsContact C-CD 3.43Å; L108-P110 VanDerWaalsContact C-N 3.34Å; P110-L184 HydrophobicContact CG-CD2 4.03Å; P110-L187 HydrophobicContact CB-CB 4.31Å; P110-L187 HydrophobicContact CG-CB 3.78Å; P110-L187 HydrophobicContact CG-CD1 4.01Å; P110-L187 HydrophobicContact CG-CG 4.43Å; P110-R188 HydrophobicContact CB-CG 3.96Å; P110-R188 PolarHBondContact O-NE 3.02Å; P110-W192 HydrophobicContact CG-CG 4.43Å
111E95.5Very high93.1Very high72 Ų7253.2 Ų53.234%0.33624%0.244SC..Hα-helixtrans-90.2-41.5177.7-165.7-164.2122.700112.4K89 L108 L109 N193K89-E111 IonicContact NZ-OE1 2.7Å; K89-E111 PolarHBondContact NZ-OE1 3.09Å; K89-E111 IonicContact NZ-OE2 3.61Å; K89-E111 PolarHBondContact NZ-OE2 3.14Å; L108-E111 WeakPolarHBondContact O-CA 3.44Å; L108-E111 WeakPolarHBondContact O-CB 3.48Å; L108-E111 PolarHBondContact O-N 2.71Å; L109-E111 PolarHBondContact O-N 3.16Å; E111-N193 PolarHBondContact OE2-ND2 3.26Å
112I96.8Very high94.4Very high8 Ų852 Ų524%0.04124%0.239CC..Hα-helixtrans-68.6-45.3-176.9-64.2170.3000111.1I55 Y81 Y86 L108 L109I55-I112 HydrophobicContact CD1-CD1 3.75Å; I55-I112 HydrophobicContact CD1-CG2 4.19Å; I55-I112 HydrophobicContact CG1-CG2 4.2Å; Y81-I112 HydrophobicContact CD1-CG2 3.71Å; Y81-I112 WeakPolarHBondContact CD1-O 3.34Å; Y81-I112 WeakPolarHBondContact CE1-O 3.37Å; Y81-I112 HydrophobicContact CG-CG2 3.74Å; Y86-I112 HydrophobicContact CD1-CD1 4.38Å; Y86-I112 HydrophobicContact CD1-CG1 3.78Å; Y86-I112 HydrophobicContact CD2-CD1 4.05Å; Y86-I112 HydrophobicContact CD2-CG1 3.93Å; Y86-I112 HydrophobicContact CE1-CB 4.5Å; Y86-I112 HydrophobicContact CE1-CG1 3.64Å; Y86-I112 HydrophobicContact CE2-CB 4.47Å; Y86-I112 HydrophobicContact CE2-CD1 4.34Å; Y86-I112 HydrophobicContact CE2-CG1 3.8Å; Y86-I112 HydrophobicContact CE2-CG2 4.15Å; Y86-I112 HydrophobicContact CG-CD1 4.07Å; Y86-I112 HydrophobicContact CG-CG1 3.92Å; L108-I112 HydrophobicContact CB-CD1 3.68Å; L108-I112 HydrophobicContact CB-CG1 4.06Å; L108-I112 WeakPolarHBondContact O-CG1 3.33Å; L108-I112 PolarHBondContact O-N 3.35Å; L109-I112 PolarHBondContact O-N 3.26Å
113L97.6Very high95.4Very high6 Ų648.1 Ų48.13%0.03123%0.227CC..SBendtrans-81.8145-173-62.8-177.7000111.8H53 Y81 L109 V117 V120 L184 R188H53-L113 HydrophobicContact CB-CD2 3.7Å; Y81-L113 HydrophobicContact CD2-CD2 4.2Å; Y81-L113 HydrophobicContact CE1-CD2 4.24Å; Y81-L113 HydrophobicContact CE2-CD2 3.76Å; L109-L113 HydrophobicContact CB-CD1 4.47Å; L109-L113 HydrophobicContact CD2-CD1 3.86Å; L109-L113 HydrophobicContact CD2-CD2 4.42Å; L109-L113 HydrophobicContact CD2-CG 3.93Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 PolarHBondContact O-N 2.92Å; L113-V117 HydrophobicContact CB-CB 4.48Å; L113-V117 HydrophobicContact CD1-CG1 4.38Å; L113-V120 HydrophobicContact CD1-CB 4.38Å; L113-V120 HydrophobicContact CD1-CG1 4.26Å; L113-V120 HydrophobicContact CD1-CG2 4.24Å; L113-L184 HydrophobicContact CB-CD1 4.16Å; L113-L184 HydrophobicContact CD1-CD1 3.63Å; L113-L184 HydrophobicContact CG-CD1 4.49Å; L113-R188 PolarHBondContact O-NH2 2.9Å
114P97.1Very high95.9Very high35 Ų3547.2 Ų47.223%0.22722%0.219CC..  trans-56.9148.6179.9-27.236000113Y81 Y116 V117 R188Y81-P114 HydrophobicContact CE1-CG 4.32Å; Y81-P114 WeakPolarHBondContact OH-CD 3.45Å; Y81-P114 WeakPolarHBondContact OH-CG 3.42Å; P114-Y116 HydrophobicContact CB-CD1 3.57Å; P114-Y116 HydrophobicContact CB-CE1 3.19Å; P114-Y116 HydrophobicContact CB-CE2 4.22Å; P114-Y116 HydrophobicContact CB-CG 4.24Å; P114-Y116 HydrophobicContact CG-CE1 3.81Å; P114-Y116 PolarHBondContact O-N 2.99Å; P114-Y116 VanDerWaalsContact O-N 3.11Å; P114-V117 HydrophobicContact CB-CG2 4.38Å; P114-V117 WeakPolarHBondContact O-CB 3.4Å; P114-V117 PolarHBondContact O-N 3.25Å; P114-R188 PolarHBondContact O-NH2 3.38Å
115K96.9Very high96.1Very high189 Ų18950.8 Ų50.882%0.82224%0.24SC*.THydrogen-bonded Turntrans-56.5-30.2-177.6-69.5-173.4178.8-178.90113.8V117 R188K115-V117 VanDerWaalsContact C-N 3.26Å; K115-V117 PolarHBondContact O-N 3.39Å; K115-R188 PolarHBondContact O-NH1 3.46Å
116Y97Very high96Very high156 Ų15651.9 Ų51.961%0.61225%0.248SC*.THydrogen-bonded Turntrans-70.2-20.2177.765.1-105.8000113.3Q79 P114 R118Q79-Y116 PolarHBondContact NE2-OH 2.91Å; Q79-Y116 PolarHBondContact OE1-OH 2.79Å; P114-Y116 HydrophobicContact CB-CD1 3.57Å; P114-Y116 HydrophobicContact CB-CE1 3.19Å; P114-Y116 HydrophobicContact CB-CE2 4.22Å; P114-Y116 HydrophobicContact CB-CG 4.24Å; P114-Y116 HydrophobicContact CG-CE1 3.81Å; P114-Y116 PolarHBondContact O-N 2.99Å; P114-Y116 VanDerWaalsContact O-N 3.11Å; Y116-R118 PolarHBondContact O-N 2.98Å
117V98Very high96Very high15 Ų1550.5 Ų50.59%0.09124%0.242CC..  trans-78103.6175.1-174.20000108L113 P114 K115 L184 R188L113-V117 HydrophobicContact CB-CB 4.48Å; L113-V117 HydrophobicContact CD1-CG1 4.38Å; P114-V117 HydrophobicContact CB-CG2 4.38Å; P114-V117 WeakPolarHBondContact O-CB 3.4Å; P114-V117 PolarHBondContact O-N 3.25Å; K115-V117 VanDerWaalsContact C-N 3.26Å; K115-V117 PolarHBondContact O-N 3.39Å; V117-L184 HydrophobicContact CB-CD1 4.38Å; V117-L184 HydrophobicContact CG1-CD1 3.9Å; V117-R188 PolarHBondContact O-NH1 3.49Å; V117-R188 PolarHBondContact O-NH2 3.42Å
118R97.9Very high96.1Very high177 Ų17748.5 Ų48.567%0.66823%0.232SC*.  trans-89.2-32.3-174.4-66.5-179.463.3-178.9-0.5113.9Y116 L184 A185Y116-R118 PolarHBondContact O-N 2.98Å; R118-L184 WeakPolarHBondContact O-CA 3.28Å; R118-L184 WeakPolarHBondContact O-CB 3.2Å; R118-L184 PolarHBondContact O-N 3.05Å; R118-A185 HydrophobicContact CB-CB 4.16Å; R118-A185 HydrophobicContact CG-CB 4.35Å; R118-A185 PolarHBondContact O-N 2.89Å
119Q98.1Very high96.1Very high58 Ų5848.6 Ų48.627%0.27123%0.232SC..EExtended strand (participates in β ladder)trans-139.6147.4-177.8-75.1174.3-26.500108.8W137 F140 M182 D183Q119-W137 HydrophobicContact CB-CH2 3.89Å; Q119-W137 HydrophobicContact CB-CZ2 4.15Å; Q119-W137 WeakPolarHBondContact O-CH2 3.3Å; Q119-F140 HydrophobicContact CB-CD1 4.43Å; Q119-F140 HydrophobicContact CB-CD2 4.3Å; Q119-F140 HydrophobicContact CB-CE1 4.05Å; Q119-F140 HydrophobicContact CB-CE2 3.91Å; Q119-F140 HydrophobicContact CB-CZ 3.78Å; Q119-F140 HydrophobicContact CG-CD1 4.01Å; Q119-F140 HydrophobicContact CG-CE1 3.92Å; Q119-F140 HydrophobicContact CG-CG 4.35Å; Q119-F140 HydrophobicContact CG-CZ 4.19Å; Q119-M182 WeakPolarHBondContact CA-O 3.49Å; Q119-D183 PolarHBondContact NE2-OD2 3.3Å
120V98.3Very high95.8Very high18 Ų1849 Ų4911%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-147.7145.3178.968.10000111.4L113 V122 F140 M182 L184L113-V120 HydrophobicContact CD1-CB 4.38Å; L113-V120 HydrophobicContact CD1-CG1 4.26Å; L113-V120 HydrophobicContact CD1-CG2 4.24Å; V120-V122 HydrophobicContact CG1-CG2 4.16Å; V120-F140 WeakPolarHBondContact O-CZ 3.35Å; V120-M182 HydrophobicContact CG1-CB 3.91Å; V120-M182 HydrophobicContact CG1-CG 4.48Å; V120-M182 PolarHBondContact N-O 2.53Å; V120-M182 PolarHBondContact O-N 2.7Å; V120-L184 HydrophobicContact CB-CD1 4.2Å; V120-L184 HydrophobicContact CG1-CD1 3.8Å; V120-L184 HydrophobicContact CG1-CD2 3.97Å; V120-L184 HydrophobicContact CG1-CG 3.9Å
121I98.3Very high95.4Very high28 Ų2848.3 Ų48.314%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-95.4120.1164.6-47.6-172.1000107.6L123 I133 L136 W137 F140 V180 L181I121-L123 HydrophobicContact CG2-CD2 3.76Å; I121-L123 HydrophobicContact CG2-CG 4Å; I121-I133 HydrophobicContact CD1-CD1 3.77Å; I121-I133 HydrophobicContact CD1-CG1 3.96Å; I121-I133 HydrophobicContact CG2-CD1 4.38Å; I121-L136 HydrophobicContact CD1-CB 4.3Å; I121-L136 HydrophobicContact CD1-CD2 4.2Å; I121-L136 HydrophobicContact CD1-CG 4.07Å; I121-L136 HydrophobicContact CG2-CD2 3.83Å; I121-W137 HydrophobicContact CD1-CB 4.09Å; I121-W137 HydrophobicContact CD1-CE3 3.86Å; I121-W137 HydrophobicContact CG1-CE3 3.7Å; I121-W137 HydrophobicContact CG1-CZ3 4.15Å; I121-F140 HydrophobicContact CG1-CE2 4.43Å; I121-V180 CarbonylContact C-O 3.48Å; I121-L181 HydrophobicContact CB-CD2 4.15Å; I121-L181 HydrophobicContact CD1-CD2 3.97Å; I121-L181 HydrophobicContact CG1-CD2 3.53Å; I121-L181 HydrophobicContact CG2-CD2 4.05Å
122V97.6Very high95.2Very high17 Ų1745 Ų4510%0.10321%0.214CC..EExtended strand (participates in β ladder)trans-93.8128.2174.4-1710000108.3K106 L109 V120 V179 V180 M182K106-V122 HydrophobicContact CB-CG1 4.5Å; K106-V122 HydrophobicContact CD-CG1 3.93Å; K106-V122 HydrophobicContact CG-CG1 3.87Å; L109-V122 HydrophobicContact CD1-CB 4.42Å; L109-V122 HydrophobicContact CD1-CG1 4.16Å; L109-V122 HydrophobicContact CD1-CG2 3.35Å; V120-V122 HydrophobicContact CG1-CG2 4.16Å; V122-V179 WeakPolarHBondContact O-CA 3.45Å; V122-V180 HydrophobicContact CB-CB 4.13Å; V122-V180 HydrophobicContact CG2-CB 4.48Å; V122-V180 PolarHBondContact N-O 2.96Å; V122-V180 PolarHBondContact O-N 3.11Å; V122-M182 HydrophobicContact CG2-CG 3.87Å; V122-M182 HydrophobicContact CG2-SD 3.59Å; V122-M182 VanDerWaalsContact CG2-SD 3.59Å
123L96.7Very high95.1Very high46 Ų4645.3 Ų45.324%0.24122%0.216CC..EExtended strand (participates in β ladder)trans-130.1129.9-175.1-66.3-178.6000109.7I8 I121 L127 I133 G178 V179 I261I8-L123 HydrophobicContact CD1-CD1 4.3Å; I121-L123 HydrophobicContact CG2-CD2 3.76Å; I121-L123 HydrophobicContact CG2-CG 4Å; L123-L127 HydrophobicContact CB-CD1 3.81Å; L123-L127 HydrophobicContact CD2-CD1 3.7Å; L123-L127 HydrophobicContact CG-CD1 4.3Å; L123-I133 HydrophobicContact CD1-CD1 4.43Å; L123-G178 CarbonylContact C-O 3.55Å; L123-G178 WeakPolarHBondContact CA-O 3.14Å; L123-V179 HydrophobicContact CD2-CG1 4.14Å; L123-V179 HydrophobicContact CD2-CG2 4.08Å; L123-I261 HydrophobicContact CD2-CD1 4.37Å
124D93.4Very high94.9Very high32 Ų3247.8 Ų47.817%0.17123%0.23CC..  trans-67156.1166.1-83.9-13.8000111.8L4 K106 C126 L127 G178 H263L4-D124 WeakPolarHBondContact CD2-O 2.93Å; K106-D124 WeakPolarHBondContact CE-OD1 3.37Å; K106-D124 VanDerWaalsContact NZ-CG 3.33Å; K106-D124 IonicContact NZ-OD1 3.38Å; K106-D124 PolarHBondContact NZ-OD1 2.83Å; K106-D124 IonicContact NZ-OD2 2.84Å; K106-D124 PolarHBondContact NZ-OD2 3.4Å; D124-C126 VanDerWaalsContact C-N 3.31Å; D124-C126 PolarHBondContact O-N 3.14Å; D124-L127 HydrophobicContact CB-CD1 4.43Å; D124-L127 HydrophobicContact CB-CG 4.16Å; D124-L127 WeakPolarHBondContact O-CD1 3.41Å; D124-L127 VanDerWaalsContact O-CG 3.26Å; D124-L127 WeakPolarHBondContact O-CG 3.29Å; D124-G178 PolarHBondContact N-O 2.92Å; D124-G178 VanDerWaalsContact OD2-CA 3.29Å; D124-G178 WeakPolarHBondContact OD2-CA 3.44Å; D124-H263 IonicContact OD2-CE1 3.53Å; D124-H263 IonicContact OD2-NE2 3.39Å
125T90Very high94.7Very high98 Ų9849.2 Ų49.260%0.60123%0.233SC*.THydrogen-bonded Turntrans-78.7-14.3-173.561.80000114.1M1M1-T125 HydrophobicContact SD-CG2 4.2Å
126C89.1Confident94.6Very high33 Ų3340.2 Ų40.222%0.22319%0.194CC..THydrogen-bonded Turntrans-99.525.1179.6550000113.2D124 H263 L264 Y299D124-C126 VanDerWaalsContact C-N 3.31Å; D124-C126 PolarHBondContact O-N 3.14Å; C126-H263 VanDerWaalsContact SG-CD2 3.56Å; C126-H263 PolarHBondContact SG-NE2 3.12Å; C126-L264 PolarHBondContact O-N 2.86Å; C126-Y299 PolarHBondContact O-OH 3.44Å
127L95.4Very high94.6Very high3 Ų338.2 Ų38.22%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-91156.1174.4-60.3178.4000111.7L4 L123 D124 G178 V179 I261 V262 H263L4-L127 HydrophobicContact CD1-CB 3.94Å; L123-L127 HydrophobicContact CB-CD1 3.81Å; L123-L127 HydrophobicContact CD2-CD1 3.7Å; L123-L127 HydrophobicContact CG-CD1 4.3Å; D124-L127 HydrophobicContact CB-CD1 4.43Å; D124-L127 HydrophobicContact CB-CG 4.16Å; D124-L127 WeakPolarHBondContact O-CD1 3.41Å; D124-L127 VanDerWaalsContact O-CG 3.26Å; D124-L127 WeakPolarHBondContact O-CG 3.29Å; L127-G178 WeakPolarHBondContact CD1-O 3.41Å; L127-V179 HydrophobicContact CD1-CG2 3.71Å; L127-V179 HydrophobicContact CD2-CG2 4.28Å; L127-I261 HydrophobicContact CB-CG2 3.99Å; L127-I261 HydrophobicContact CD1-CG2 4.14Å; L127-I261 HydrophobicContact CD2-CG2 3.99Å; L127-I261 HydrophobicContact CG-CG2 4.27Å; L127-V262 CarbonylContact C-O 3.45Å; L127-V262 WeakPolarHBondContact CA-O 3.49Å; L127-H263 HydrophobicContact CD2-CB 3.4Å; L127-H263 VanDerWaalsContact CD2-CB 3.4Å; L127-H263 VanDerWaalsContact CD2-CG 3.47Å
128L95.1Very high94.5Very high2 Ų238.6 Ų38.61%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-132.9130.1166.1-167.371.2000109.6W241 I261 V262 Y299 E302 Y306L128-W241 HydrophobicContact CD2-CH2 4.37Å; L128-I261 WeakPolarHBondContact O-CA 3.42Å; L128-V262 PolarHBondContact N-O 2.96Å; L128-V262 PolarHBondContact O-N 3.49Å; L128-Y299 HydrophobicContact CB-CD2 4.26Å; L128-Y299 HydrophobicContact CB-CE2 3.69Å; L128-Y299 HydrophobicContact CD2-CD2 4.44Å; L128-Y299 HydrophobicContact CD2-CE2 4.44Å; L128-E302 HydrophobicContact CD2-CB 3.55Å; L128-Y306 HydrophobicContact CD1-CD2 3.6Å; L128-Y306 HydrophobicContact CD1-CE2 4Å; L128-Y306 HydrophobicContact CD1-CG 4.39Å; L128-Y306 HydrophobicContact CD2-CD2 4.31Å; L128-Y306 HydrophobicContact CD2-CE2 4.34Å; L128-Y306 HydrophobicContact CG-CD2 4.37Å; L128-Y306 HydrophobicContact CG-CE2 4.37Å
129L94.7Very high94.4Very high2 Ų231.3 Ų31.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-91.2138178.4-73.976.3000110.9L4 S7 I8 H11 I133 I261L4-L129 HydrophobicContact CD1-CD1 3.16Å; S7-L129 PolarHBondContact OG-N 2.92Å; S7-L129 VanDerWaalsContact OG-N 3.09Å; I8-L129 HydrophobicContact CB-CD2 4.35Å; I8-L129 HydrophobicContact CD1-CD1 4.26Å; I8-L129 HydrophobicContact CG1-CD1 3.56Å; I8-L129 HydrophobicContact CG1-CD2 3.56Å; I8-L129 HydrophobicContact CG1-CG 4.11Å; H11-L129 PolarHBondContact CD2-O 3.49Å; H11-L129 VanDerWaalsContact CD2-O 3.26Å; H11-L129 PolarHBondContact NE2-O 3.38Å; L129-I133 HydrophobicContact CD2-CB 3.97Å; L129-I133 HydrophobicContact CD2-CD1 3.99Å; L129-I133 HydrophobicContact CD2-CG1 4.39Å; L129-I261 HydrophobicContact CG-CD1 4.34Å; L129-I261 HydrophobicContact CG-CG1 4.13Å
130N91.4Very high94.4Very high20 Ų2029.2 Ų29.211%0.10716%0.156CC..SBendtrans-122.813.4172.2-173.242.6000112H11 K41 W241 P259 K260H11-N130 VanDerWaalsContact CE1-C 3.41Å; H11-N130 PolarHBondContact CE1-O 3.1Å; H11-N130 VanDerWaalsContact NE2-CA 3.3Å; H11-N130 WeakPolarHBondContact NE2-CA 3.48Å; K41-N130 PolarHBondContact NZ-O 2.92Å; N130-W241 HydrophobicContact CB-CZ2 4.33Å; N130-W241 PolarHBondContact ND2-NE1 2.91Å; N130-P259 WeakPolarHBondContact CB-O 2.94Å; N130-P259 PolarHBondContact ND2-O 2.87Å; N130-K260 PolarHBondContact N-O 2.98Å
131G89.5Confident94.3Very high0 Ų035.5 Ų35.50%018%0.182CC..SBendtrans-148.2164.1-178.600000111.5H11 I133 K260H11-G131 VanDerWaalsContact CB-O 3.29Å; H11-G131 WeakPolarHBondContact CB-O 3.41Å; G131-I133 PolarHBondContact O-N 3.46Å; G131-K260 PolarHBondContact N-O 3.07Å
132D91.2Very high94.2Very high1 Ų140.5 Ų40.51%0.00520%0.2CC..  trans-73.3125-179.4-166.9-37.2000110.7I43 T46 N134 E135 W224I43-D132 HydrophobicContact CD1-CB 4.29Å; T46-D132 WeakPolarHBondContact CB-OD2 3.42Å; T46-D132 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D132 PolarHBondContact OG1-OD2 3.27Å; D132-N134 PolarHBondContact O-N 3.48Å; D132-N134 VanDerWaalsContact O-N 3.1Å; D132-N134 WeakPolarHBondContact OD1-CB 3.37Å; D132-N134 PolarHBondContact OD1-N 3.1Å; D132-N134 PolarHBondContact OD1-ND2 3.21Å; D132-E135 HydrophobicContact CB-CG 4.16Å; D132-E135 PolarHBondContact N-OE1 3.26Å; D132-E135 WeakPolarHBondContact O-CB 2.94Å; D132-E135 PolarHBondContact O-N 3.06Å; D132-W224 WeakPolarHBondContact O-CH2 3.31Å
133I93.9Very high94.1Very high16 Ų1640.9 Ų40.98%0.08220%0.2CC..Hα-helixtrans-60.2-23-179.8-167.358.8000112.9I8 Q12 I50 I121 L123 L129 G131 E135 L136 W137I8-I133 HydrophobicContact CG2-CB 4.48Å; I8-I133 HydrophobicContact CG2-CG2 4.02Å; Q12-I133 HydrophobicContact CG-CG2 4.17Å; I50-I133 HydrophobicContact CD1-CG2 4.12Å; I121-I133 HydrophobicContact CD1-CD1 3.77Å; I121-I133 HydrophobicContact CD1-CG1 3.96Å; I121-I133 HydrophobicContact CG2-CD1 4.38Å; L123-I133 HydrophobicContact CD1-CD1 4.43Å; L129-I133 HydrophobicContact CD2-CB 3.97Å; L129-I133 HydrophobicContact CD2-CD1 3.99Å; L129-I133 HydrophobicContact CD2-CG1 4.39Å; G131-I133 PolarHBondContact O-N 3.46Å; I133-E135 VanDerWaalsContact C-N 3.31Å; I133-L136 HydrophobicContact CD1-CB 4.23Å; I133-L136 HydrophobicContact CD1-CD2 3.92Å; I133-L136 WeakPolarHBondContact O-CB 3.36Å; I133-L136 PolarHBondContact O-N 3.28Å; I133-W137 PolarHBondContact O-N 2.91Å
134N92.6Very high94Very high58 Ų5845.6 Ų45.631%0.3122%0.219SC..Hα-helixtrans-70.2-27.8175.2-64-62.6000112.6Q12 T46 D132 L136 W137 G138Q12-N134 PolarHBondContact NE2-ND2 3.44Å; T46-N134 WeakPolarHBondContact CB-ND2 3.22Å; T46-N134 HydrophobicContact CG2-CB 4.07Å; T46-N134 WeakPolarHBondContact CG2-ND2 3.46Å; D132-N134 PolarHBondContact O-N 3.48Å; D132-N134 VanDerWaalsContact O-N 3.1Å; D132-N134 WeakPolarHBondContact OD1-CB 3.37Å; D132-N134 PolarHBondContact OD1-N 3.1Å; D132-N134 PolarHBondContact OD1-ND2 3.21Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-W137 PolarHBondContact O-N 2.87Å; N134-G138 PolarHBondContact O-N 3.12Å
135E93.4Very high93.9Very high64 Ų6450.6 Ų50.630%0.29925%0.251SS..Hα-helixtrans-63.1-44.2171.6-64.3171.9-120.900109.5I43 D132 I133 G138 H139 W224 K260I43-E135 WeakPolarHBondContact CD1-OE1 3.46Å; D132-E135 HydrophobicContact CB-CG 4.16Å; D132-E135 PolarHBondContact N-OE1 3.26Å; D132-E135 WeakPolarHBondContact O-CB 2.94Å; D132-E135 PolarHBondContact O-N 3.06Å; I133-E135 VanDerWaalsContact C-N 3.31Å; E135-G138 PolarHBondContact O-N 3.41Å; E135-H139 PolarHBondContact O-CD2 2.97Å; E135-W224 HydrophobicContact CB-CH2 3.67Å; E135-W224 HydrophobicContact CB-CZ2 3.58Å; E135-K260 IonicContact OE1-NZ 3.74Å; E135-K260 PolarHBondContact OE1-NZ 3.31Å; E135-K260 IonicContact OE2-NZ 3.71Å; E135-K260 PolarHBondContact OE2-NZ 3.45Å
136L95.8Very high93.9Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-63.2-45.3174.5-176.255.9000111.8I121 I133 N134 G138 H139 V179 L181 I220 W224 I261I121-L136 HydrophobicContact CD1-CB 4.3Å; I121-L136 HydrophobicContact CD1-CD2 4.2Å; I121-L136 HydrophobicContact CD1-CG 4.07Å; I121-L136 HydrophobicContact CG2-CD2 3.83Å; I133-L136 HydrophobicContact CD1-CB 4.23Å; I133-L136 HydrophobicContact CD1-CD2 3.92Å; I133-L136 WeakPolarHBondContact O-CB 3.36Å; I133-L136 PolarHBondContact O-N 3.28Å; N134-L136 VanDerWaalsContact C-N 3.32Å; L136-G138 PolarHBondContact O-N 3.45Å; L136-H139 WeakPolarHBondContact O-CB 3.33Å; L136-H139 PolarHBondContact O-N 3.42Å; L136-V179 HydrophobicContact CD2-CG1 3.63Å; L136-L181 HydrophobicContact CD1-CD1 4.27Å; L136-L181 HydrophobicContact CD1-CD2 4.37Å; L136-L181 HydrophobicContact CD1-CG 4.46Å; L136-L181 HydrophobicContact CG-CD2 4.11Å; L136-I220 HydrophobicContact CD1-CD1 4.24Å; L136-I220 HydrophobicContact CD1-CG2 3.79Å; L136-W224 HydrophobicContact CB-CD2 4.14Å; L136-W224 HydrophobicContact CB-CE3 3.7Å; L136-W224 HydrophobicContact CB-CH2 3.91Å; L136-W224 HydrophobicContact CB-CZ2 4.27Å; L136-W224 HydrophobicContact CB-CZ3 3.6Å; L136-W224 HydrophobicContact CD1-CB 4.28Å; L136-W224 HydrophobicContact CD1-CD2 3.86Å; L136-W224 HydrophobicContact CD1-CE3 4.02Å; L136-W224 HydrophobicContact CD1-CG 3.96Å; L136-W224 HydrophobicContact CD2-CE3 4Å; L136-W224 HydrophobicContact CD2-CZ3 4.47Å; L136-W224 HydrophobicContact CG-CD2 4.41Å; L136-W224 HydrophobicContact CG-CE3 4.09Å; L136-W224 HydrophobicContact CG-CZ3 4.46Å; L136-I261 HydrophobicContact CD2-CD1 3.83Å
137W96.3Very high94.1Very high114 Ų11448.5 Ų48.543%0.43224%0.238SC..Hα-helixtrans-55.5-38174.3-174.5-88.9000111.7Q119 I121 I133 N134 H139 F140Q119-W137 HydrophobicContact CB-CH2 3.89Å; Q119-W137 HydrophobicContact CB-CZ2 4.15Å; Q119-W137 WeakPolarHBondContact O-CH2 3.3Å; I121-W137 HydrophobicContact CD1-CB 4.09Å; I121-W137 HydrophobicContact CD1-CE3 3.86Å; I121-W137 HydrophobicContact CG1-CE3 3.7Å; I121-W137 HydrophobicContact CG1-CZ3 4.15Å; I133-W137 PolarHBondContact O-N 2.91Å; N134-W137 PolarHBondContact O-N 2.87Å; W137-H139 PolarHBondContact O-N 2.85Å; W137-F140 HydrophobicContact CD2-CD2 4.2Å; W137-F140 HydrophobicContact CD2-CE2 4.34Å; W137-F140 HydrophobicContact CE3-CD2 4.4Å; W137-F140 HydrophobicContact CE3-CE2 4.08Å; W137-F140 HydrophobicContact CH2-CE2 4.43Å; W137-F140 HydrophobicContact CZ3-CE2 4.13Å; W137-F140 WeakPolarHBondContact O-CD2 3.38Å; W137-F140 PolarHBondContact O-N 3.29Å; W137-F140 VanDerWaalsContact O-N 3.16Å
138G95.3Very high94.1Very high24 Ų2448.9 Ų48.925%0.24724%0.24CC..G310 helixtrans-57.6-19.9176.800000114.2N134 E135 L136 F140 K141N134-G138 PolarHBondContact O-N 3.12Å; E135-G138 PolarHBondContact O-N 3.41Å; L136-G138 PolarHBondContact O-N 3.45Å; G138-F140 VanDerWaalsContact C-N 3.28Å; G138-F140 PolarHBondContact O-N 3Å; G138-K141 VanDerWaalsContact O-CD 3.26Å; G138-K141 WeakPolarHBondContact O-CD 3.27Å; G138-K141 WeakPolarHBondContact O-CE 3.32Å; G138-K141 WeakPolarHBondContact O-CG 3.45Å; G138-K141 PolarHBondContact O-N 2.97Å
139H97.2Very high94.1Very high24 Ų2449.5 Ų49.511%0.11124%0.244CC..G310 helixtrans-68.2-23.3177.8-78.2-92.8000114E135 L136 W137 K141 Y142 L181 Y218 P221 W224E135-H139 PolarHBondContact O-CD2 2.97Å; L136-H139 WeakPolarHBondContact O-CB 3.33Å; L136-H139 PolarHBondContact O-N 3.42Å; W137-H139 PolarHBondContact O-N 2.85Å; H139-K141 PolarHBondContact O-N 3.18Å; H139-K141 VanDerWaalsContact O-N 3.12Å; H139-Y142 PolarHBondContact O-N 3.14Å; H139-L181 HydrophobicContact CB-CD1 3.61Å; H139-Y218 HydrophobicContact CB-CE1 3.81Å; H139-Y218 AromaticContact ND1-CE1 3.51Å; H139-Y218 AromaticContact ND1-CZ 3.59Å; H139-Y218 PolarHBondContact ND1-OH 2.78Å; H139-P221 WeakPolarHBondContact CE1-CD 3.5Å; H139-W224 AromaticContact NE2-NE1 3.4Å; H139-W224 PolarHBondContact NE2-NE1 3.35Å
140F97.2Very high94.2Very high13 Ų1349.4 Ų49.46%0.05724%0.243CC..G310 helixtrans-55.4-31.6175.3-82.9-65.4000112.9Q119 V120 I121 W137 G138 Y142 F143 L181Q119-F140 HydrophobicContact CB-CD1 4.43Å; Q119-F140 HydrophobicContact CB-CD2 4.3Å; Q119-F140 HydrophobicContact CB-CE1 4.05Å; Q119-F140 HydrophobicContact CB-CE2 3.91Å; Q119-F140 HydrophobicContact CB-CZ 3.78Å; Q119-F140 HydrophobicContact CG-CD1 4.01Å; Q119-F140 HydrophobicContact CG-CE1 3.92Å; Q119-F140 HydrophobicContact CG-CG 4.35Å; Q119-F140 HydrophobicContact CG-CZ 4.19Å; V120-F140 WeakPolarHBondContact O-CZ 3.35Å; I121-F140 HydrophobicContact CG1-CE2 4.43Å; W137-F140 HydrophobicContact CD2-CD2 4.2Å; W137-F140 HydrophobicContact CD2-CE2 4.34Å; W137-F140 HydrophobicContact CE3-CD2 4.4Å; W137-F140 HydrophobicContact CE3-CE2 4.08Å; W137-F140 HydrophobicContact CH2-CE2 4.43Å; W137-F140 HydrophobicContact CZ3-CE2 4.13Å; W137-F140 WeakPolarHBondContact O-CD2 3.38Å; W137-F140 PolarHBondContact O-N 3.29Å; W137-F140 VanDerWaalsContact O-N 3.16Å; G138-F140 VanDerWaalsContact C-N 3.28Å; G138-F140 PolarHBondContact O-N 3Å; F140-Y142 PolarHBondContact O-N 3.3Å; F140-F143 HydrophobicContact CD1-CD2 4.32Å; F140-F143 HydrophobicContact CD1-CE1 4.35Å; F140-F143 AromaticContact CD1-CE2 3.94Å; F140-F143 HydrophobicContact CD1-CE2 3.94Å; F140-F143 AromaticContact CD1-CZ 3.94Å; F140-F143 HydrophobicContact CD1-CZ 3.94Å; F140-F143 HydrophobicContact CE1-CE2 4.07Å; F140-F143 HydrophobicContact CE1-CZ 4.08Å; F140-F143 WeakPolarHBondContact O-CB 3.38Å; F140-F143 PolarHBondContact O-N 3.49Å; F140-L181 HydrophobicContact CD1-CB 4.46Å; F140-L181 HydrophobicContact CD2-CD2 4.35Å; F140-L181 HydrophobicContact CE1-CB 3.79Å; F140-L181 HydrophobicContact CE2-CB 4.26Å; F140-L181 HydrophobicContact CE2-CD2 3.74Å; F140-L181 HydrophobicContact CE2-CG 4.45Å; F140-L181 HydrophobicContact CZ-CB 3.68Å; F140-L181 HydrophobicContact CZ-CD2 3.97Å; F140-L181 HydrophobicContact CZ-CG 4.35Å
141K96.3Very high94.4Very high150 Ų15048.9 Ų48.965%0.65224%0.241SC*.G310 helixtrans-68.3-17179.883.6-161.6174.7175.20113.6G138 H139G138-K141 VanDerWaalsContact O-CD 3.26Å; G138-K141 WeakPolarHBondContact O-CD 3.27Å; G138-K141 WeakPolarHBondContact O-CE 3.32Å; G138-K141 WeakPolarHBondContact O-CG 3.45Å; G138-K141 PolarHBondContact O-N 2.97Å; H139-K141 PolarHBondContact O-N 3.18Å; H139-K141 VanDerWaalsContact O-N 3.12Å
142Y96.3Very high94.7Very high134 Ų13448.9 Ų48.953%0.52524%0.241SC..G310 helixtrans-94.7-1.1178.7-58.7-62.1000112.9H139 F140 K144H139-Y142 PolarHBondContact O-N 3.14Å; F140-Y142 PolarHBondContact O-N 3.3Å; Y142-K144 PolarHBondContact O-N 3.42Å
143F95.6Very high94.8Very high24 Ų2450.2 Ų50.211%0.10525%0.247CC..  trans-65.8126175.4-80.428.6000109.8F140 Q147 G150 L181 Y218F140-F143 HydrophobicContact CD1-CD2 4.32Å; F140-F143 HydrophobicContact CD1-CE1 4.35Å; F140-F143 AromaticContact CD1-CE2 3.94Å; F140-F143 HydrophobicContact CD1-CE2 3.94Å; F140-F143 AromaticContact CD1-CZ 3.94Å; F140-F143 HydrophobicContact CD1-CZ 3.94Å; F140-F143 HydrophobicContact CE1-CE2 4.07Å; F140-F143 HydrophobicContact CE1-CZ 4.08Å; F140-F143 WeakPolarHBondContact O-CB 3.38Å; F140-F143 PolarHBondContact O-N 3.49Å; F143-Q147 HydrophobicContact CB-CB 4.19Å; F143-Q147 HydrophobicContact CD2-CB 4.21Å; F143-Q147 WeakPolarHBondContact CD2-O 3.31Å; F143-Q147 HydrophobicContact CG-CB 4.22Å; F143-G150 VanDerWaalsContact CZ-N 3.29Å; F143-L181 HydrophobicContact CE1-CB 4.45Å; F143-L181 HydrophobicContact CE1-CD1 4.2Å; F143-L181 HydrophobicContact CZ-CB 3.81Å; F143-L181 HydrophobicContact CZ-CD1 4.38Å; F143-Y218 AromaticContact CD1-CD1 3.89Å; F143-Y218 HydrophobicContact CD1-CD1 3.89Å; F143-Y218 HydrophobicContact CD1-CD2 4.15Å; F143-Y218 AromaticContact CD1-CG 3.6Å; F143-Y218 HydrophobicContact CD1-CG 3.6Å; F143-Y218 VanDerWaalsContact CE1-CB 3.5Å; F143-Y218 AromaticContact CE1-CD1 3.45Å; F143-Y218 HydrophobicContact CE1-CD1 3.45Å; F143-Y218 VanDerWaalsContact CE1-CD1 3.45Å; F143-Y218 HydrophobicContact CE1-CE1 4.32Å; F143-Y218 AromaticContact CE1-CG 3.56Å; F143-Y218 HydrophobicContact CE1-CG 3.56Å; F143-Y218 HydrophobicContact CZ-CD1 4.49Å
144K94Very high94.9Very high146 Ų14650.3 Ų50.364%0.63525%0.247SC*.  trans-63162.6164.5-63.2179.8-179.9177.40110Y142 S146 Q147 K186Y142-K144 PolarHBondContact O-N 3.42Å; K144-S146 PolarHBondContact O-N 2.89Å; K144-Q147 HydrophobicContact CB-CG 4.15Å; K144-Q147 PolarHBondContact O-N 2.89Å; K144-K186 PolarHBondContact O-NZ 2.97Å
145T90.8Very high95Very high137 Ų13747.7 Ų47.784%0.8423%0.233SC*.THydrogen-bonded Turntrans-53-42.3-180-51.30000112.2Q147 K186T145-Q147 PolarHBondContact O-N 3.31Å; T145-K186 PolarHBondContact O-NZ 3.29Å
146S90.3Very high95Very high66 Ų6645.6 Ų45.646%0.46222%0.224SC..THydrogen-bonded Turntrans-73.7-19.1178.962.40000115.1K144 Q215K144-S146 PolarHBondContact O-N 2.89Å; S146-Q215 PolarHBondContact OG-O 3.37Å
147Q93.9Very high94.9Very high20 Ų2048 Ų489%0.09324%0.239CC..  trans-82.3130.3-174.4-70.9172.3-32.700110.6F143 K144 T145 K186 I216 F217F143-Q147 HydrophobicContact CB-CB 4.19Å; F143-Q147 HydrophobicContact CD2-CB 4.21Å; F143-Q147 WeakPolarHBondContact CD2-O 3.31Å; F143-Q147 HydrophobicContact CG-CB 4.22Å; K144-Q147 HydrophobicContact CB-CG 4.15Å; K144-Q147 PolarHBondContact O-N 2.89Å; T145-Q147 PolarHBondContact O-N 3.31Å; Q147-K186 WeakPolarHBondContact O-CD 3.41Å; Q147-K186 PolarHBondContact O-NZ 3.28Å; Q147-I216 WeakPolarHBondContact CA-O 3.35Å; Q147-F217 PolarHBondContact NE2-O 3.15Å
148I94.5Very high94.6Very high11 Ų1149.7 Ų49.76%0.05625%0.25CC..  trans-124.4-19.5-175.258.6177000112.6D183 K186 L187 L190 I216I148-D183 PolarHBondContact O-N 3.37Å; I148-K186 HydrophobicContact CB-CB 4.46Å; I148-K186 HydrophobicContact CG2-CB 3.65Å; I148-K186 HydrophobicContact CG2-CD 3.91Å; I148-K186 HydrophobicContact CG2-CG 4.46Å; I148-L187 HydrophobicContact CB-CD2 4.38Å; I148-L187 HydrophobicContact CB-CG 4.37Å; I148-L187 HydrophobicContact CD1-CD2 3.72Å; I148-L187 HydrophobicContact CG1-CD2 4.3Å; I148-L190 HydrophobicContact CD1-CD1 3.79Å; I148-L190 HydrophobicContact CG2-CD1 4.17Å; I148-I216 HydrophobicContact CD1-CG2 3.43Å; I148-I216 VanDerWaalsContact CD1-CG2 3.43Å; I148-I216 HydrophobicContact CG1-CG2 3.32Å; I148-I216 PolarHBondContact N-O 2.81Å
149L95.9Very high94.3Very high16 Ų1652.2 Ų52.28%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-130133.8-179.5-68172.6000109.5V180 L181 M182 L187 W192 I216 F217 Y218L149-V180 HydrophobicContact CD2-CG1 4.12Å; L149-L181 CarbonylContact C-O 3.56Å; L149-L181 VanDerWaalsContact CA-O 3.29Å; L149-L181 WeakPolarHBondContact CA-O 3.36Å; L149-M182 HydrophobicContact CD2-CB 4.1Å; L149-M182 HydrophobicContact CD2-CE 3.66Å; L149-M182 HydrophobicContact CD2-CG 3.6Å; L149-M182 HydrophobicContact CD2-SD 4.42Å; L149-L187 HydrophobicContact CD2-CD1 4.21Å; L149-W192 HydrophobicContact CD1-CH2 4.04Å; L149-I216 PolarHBondContact N-O 3.15Å; L149-F217 HydrophobicContact CB-CD1 3.71Å; L149-F217 HydrophobicContact CB-CE1 3.94Å; L149-F217 HydrophobicContact CD1-CD1 4.29Å; L149-F217 HydrophobicContact CD1-CE1 3.63Å; L149-F217 HydrophobicContact CG-CE1 4.42Å; L149-F217 CarbonylContact O-C 3.55Å; L149-F217 VanDerWaalsContact O-CA 3.3Å; L149-F217 WeakPolarHBondContact O-CA 3.36Å; L149-Y218 PolarHBondContact O-N 2.92Å
150G97.3Very high94Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-105.8127167.800000108.9F143 V180 L181 Y218 I220F143-G150 VanDerWaalsContact CZ-N 3.29Å; G150-V180 CarbonylContact O-C 3.4Å; G150-V180 WeakPolarHBondContact O-CA 3.43Å; G150-L181 PolarHBondContact N-O 2.88Å; G150-L181 PolarHBondContact O-N 2.91Å; G150-Y218 CarbonylContact C-O 3.49Å; G150-Y218 WeakPolarHBondContact CA-O 3.21Å; G150-I220 WeakPolarHBondContact O-CD1 3.38Å
151V96Very high93.7Very high9 Ų954.8 Ų54.86%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-141.1160.6-172.8-69.80000110.4Y175 V180 F217 Y218 E219 I220V151-Y175 HydrophobicContact CB-CD1 4.16Å; V151-Y175 HydrophobicContact CB-CG 4.2Å; V151-Y175 HydrophobicContact CG2-CD1 3.43Å; V151-Y175 VanDerWaalsContact CG2-CD1 3.43Å; V151-Y175 HydrophobicContact CG2-CD2 4.12Å; V151-Y175 HydrophobicContact CG2-CE1 3.86Å; V151-Y175 HydrophobicContact CG2-CE2 4.48Å; V151-Y175 HydrophobicContact CG2-CG 3.58Å; V151-V180 HydrophobicContact CG1-CG1 4.06Å; V151-V180 HydrophobicContact CG1-CG2 4.39Å; V151-F217 HydrophobicContact CG1-CD1 4.27Å; V151-F217 HydrophobicContact CG2-CB 3.94Å; V151-F217 HydrophobicContact CG2-CD1 3.75Å; V151-F217 HydrophobicContact CG2-CG 3.96Å; V151-Y218 PolarHBondContact N-O 3.05Å; V151-E219 WeakPolarHBondContact O-CA 3.28Å; V151-I220 PolarHBondContact O-N 3.09Å
152T94.9Very high93.2Very high0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-108.3146.2174.655.80000110.4Y175 N176 I220 W224 N225T152-Y175 CarbonylContact O-C 3.46Å; T152-Y175 VanDerWaalsContact O-CA 3.31Å; T152-Y175 WeakPolarHBondContact O-CA 3.15Å; T152-N176 PolarHBondContact O-N 3.22Å; T152-I220 HydrophobicContact CG2-CB 3.89Å; T152-I220 HydrophobicContact CG2-CG2 4.23Å; T152-W224 HydrophobicContact CG2-CB 4.49Å; T152-N225 HydrophobicContact CG2-CB 3.61Å; T152-N225 VanDerWaalsContact OG1-CB 3.23Å; T152-N225 WeakPolarHBondContact OG1-CB 3.44Å; T152-N225 PolarHBondContact OG1-ND2 3.46Å
153M94.3Very high92.7Very high29 Ų2945 Ų4514%0.14324%0.243CC..EExtended strand (participates in β ladder)trans-51.6143.6173.4-169.4-148.4-46.200113Y173 R236M153-Y173 HydrophobicContact CE-CD2 4.45Å; M153-Y173 HydrophobicContact CG-CD2 3.7Å; M153-Y173 HydrophobicContact CG-CG 4.26Å; M153-Y173 HydrophobicContact SD-CD2 3.26Å; M153-Y173 WeakPolarHBondContact SD-CD2 3.47Å; M153-Y173 HydrophobicContact SD-CE2 3.85Å; M153-Y173 HydrophobicContact SD-CG 4.13Å; M153-R236 HydrophobicContact SD-CB 4Å; M153-R236 HydrophobicContact SD-CG 4.43Å
154E94.2Very high92.4Very high18 Ų1849.4 Ų49.48%0.08426%0.262CS..  trans-75.2120.4170.9-177.348-97.100111.1N156 F159 Y173 G174 N176 Q227 R236E154-N156 WeakPolarHBondContact OE1-CB 3.26Å; E154-N156 PolarHBondContact OE1-N 3.29Å; E154-F159 HydrophobicContact CG-CB 3.62Å; E154-F159 HydrophobicContact CG-CD1 4.25Å; E154-F159 HydrophobicContact CG-CG 3.96Å; E154-Y173 WeakPolarHBondContact CB-O 3.48Å; E154-G174 PolarHBondContact N-O 2.9Å; E154-N176 PolarHBondContact OE2-ND2 3.34Å; E154-Q227 VanDerWaalsContact OE1-CD 3.24Å; E154-Q227 PolarHBondContact OE1-NE2 3.45Å; E154-Q227 PolarHBondContact OE1-OE1 3.33Å; E154-R236 PolarHBondContact O-NH1 3.06Å
155Q95Very high92Very high3 Ų347 Ų471%0.01426%0.263CS..  trans-92.3-11.7-175-65.516923.900112.2N225 Q227 V232 D233 R236 C237Q155-N225 PolarHBondContact NE2-O 3.23Å; Q155-Q227 HydrophobicContact CB-CB 4.22Å; Q155-Q227 HydrophobicContact CB-CG 4.18Å; Q155-Q227 HydrophobicContact CG-CG 4.39Å; Q155-V232 HydrophobicContact CB-CG2 3.68Å; Q155-D233 PolarHBondContact O-N 3.12Å; Q155-R236 HydrophobicContact CG-CB 4.32Å; Q155-C237 HydrophobicContact CG-CB 4.34Å
156N93.2Very high91.6Very high20 Ų2044.3 Ų44.311%0.10724%0.244CC..  trans-92.3115.6175.3-164.1-45000111.5E154 K158 F159 S229 S230E154-N156 WeakPolarHBondContact OE1-CB 3.26Å; E154-N156 PolarHBondContact OE1-N 3.29Å; N156-K158 PolarHBondContact O-N 3.31Å; N156-K158 VanDerWaalsContact O-N 3.09Å; N156-K158 WeakPolarHBondContact OD1-CB 3.45Å; N156-K158 PolarHBondContact OD1-N 3.11Å; N156-F159 PolarHBondContact O-N 3.32Å; N156-S229 PolarHBondContact ND2-OG 3Å; N156-S230 PolarHBondContact ND2-O 3.38Å
157P93.6Very high91.3Very high50 Ų5041.4 Ų41.433%0.32522%0.223SC..Hα-helixtrans-62.5-17.6179.826-34.6000113.7F159 E160 A161 G231 D233P157-F159 PolarHBondContact O-N 2.65Å; P157-E160 PolarHBondContact O-N 3.07Å; P157-A161 PolarHBondContact O-N 3.28Å; P157-G231 VanDerWaalsContact CD-O 3.28Å; P157-G231 WeakPolarHBondContact CD-O 3.27Å; P157-D233 HydrophobicContact CG-CB 4.42Å
158K91Very high90.7Very high150 Ų15049.8 Ų49.865%0.65226%0.259SS*.Hα-helixtrans-58-38175.8-173.7177.5-179.8178.60112.1N156 A161 V162N156-K158 PolarHBondContact O-N 3.31Å; N156-K158 VanDerWaalsContact O-N 3.09Å; N156-K158 WeakPolarHBondContact OD1-CB 3.45Å; N156-K158 PolarHBondContact OD1-N 3.11Å; K158-A161 PolarHBondContact O-N 2.78Å; K158-V162 VanDerWaalsContact O-CG2 3.32Å; K158-V162 WeakPolarHBondContact O-CG2 3.34Å; K158-V162 PolarHBondContact O-N 3.01Å
159F88.4Confident90.2Very high76 Ų7652.4 Ų52.433%0.33329%0.288SS..Hα-helixtrans-62.1-50.9177.9179-89000110.5E154 N156 P157 A161 V162 M163 W170 Y173E154-F159 HydrophobicContact CG-CB 3.62Å; E154-F159 HydrophobicContact CG-CD1 4.25Å; E154-F159 HydrophobicContact CG-CG 3.96Å; N156-F159 PolarHBondContact O-N 3.32Å; P157-F159 PolarHBondContact O-N 2.65Å; F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact O-N 2.86Å; F159-V162 PolarHBondContact O-N 3.33Å; F159-M163 HydrophobicContact CD1-CG 3.8Å; F159-M163 HydrophobicContact CD2-CG 4.46Å; F159-M163 HydrophobicContact CE1-CB 4.47Å; F159-M163 HydrophobicContact CE1-CG 3.34Å; F159-M163 HydrophobicContact CE1-SD 4.34Å; F159-M163 HydrophobicContact CE2-CG 4.08Å; F159-M163 HydrophobicContact CE2-SD 4.17Å; F159-M163 HydrophobicContact CG-CG 4.35Å; F159-M163 HydrophobicContact CZ-CG 3.5Å; F159-M163 HydrophobicContact CZ-SD 3.88Å; F159-M163 WeakPolarHBondContact O-CG 3.34Å; F159-M163 PolarHBondContact O-N 3.25Å; F159-W170 AromaticContact CE1-CZ2 3.92Å; F159-W170 HydrophobicContact CE1-CZ2 3.92Å; F159-Y173 VanDerWaalsContact CD1-O 3.23Å; F159-Y173 WeakPolarHBondContact CD1-O 3.36Å
160E90.5Very high89.7Confident30 Ų3053.5 Ų53.514%0.1429%0.291CS..Hα-helixtrans-57.2-43.7177.6-176.7-169.3170.200111.9P157 M163 K164 Y173 R236P157-E160 PolarHBondContact O-N 3.07Å; E160-M163 PolarHBondContact O-N 2.98Å; E160-K164 HydrophobicContact CG-CD 4.16Å; E160-K164 WeakPolarHBondContact O-CB 3.37Å; E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact OE1-CE 3.3Å; E160-K164 WeakPolarHBondContact OE1-CE 3.34Å; E160-K164 IonicContact OE1-NZ 2.65Å; E160-K164 PolarHBondContact OE1-NZ 3.43Å; E160-Y173 WeakPolarHBondContact OE2-CD1 3.45Å; E160-R236 IonicContact OE2-CZ 2.92Å; E160-R236 IonicContact OE2-NH2 2.9Å; E160-R236 PolarHBondContact OE2-NH2 3.09Å
161A91.3Very high89.1Confident62 Ų6263.3 Ų63.351%0.51233%0.328SS..Hα-helixtrans-60.9-45.1177.400000112.1P157 K158 F159 S165P157-A161 PolarHBondContact O-N 3.28Å; K158-A161 PolarHBondContact O-N 2.78Å; F159-A161 VanDerWaalsContact C-N 3.3Å; F159-A161 PolarHBondContact O-N 2.86Å; A161-S165 PolarHBondContact O-N 3.44Å
162V86.4Confident88.7Confident63 Ų6365 Ų6538%0.38235%0.347SS..Hα-helixtrans-62.2-47.4175.3170.80000110.3K158 F159 K164 S165 L166K158-V162 VanDerWaalsContact O-CG2 3.32Å; K158-V162 WeakPolarHBondContact O-CG2 3.34Å; K158-V162 PolarHBondContact O-N 3.01Å; F159-V162 PolarHBondContact O-N 3.33Å; V162-K164 PolarHBondContact O-N 3Å; V162-S165 WeakPolarHBondContact O-CB 3.44Å; V162-S165 PolarHBondContact O-N 3.27Å; V162-S165 PolarHBondContact O-OG 3.1Å; V162-L166 HydrophobicContact CG1-CD1 3.79Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CG 3.38Å; V162-L166 PolarHBondContact O-N 3.4Å
163M86Confident88.4Confident16 Ų1670 Ų708%0.07937%0.367CS..Hα-helixtrans-65.7-37-178.1-65.6-48.4-62.900113F159 E160 S165 L166 I167 W170F159-M163 HydrophobicContact CD1-CG 3.8Å; F159-M163 HydrophobicContact CD2-CG 4.46Å; F159-M163 HydrophobicContact CE1-CB 4.47Å; F159-M163 HydrophobicContact CE1-CG 3.34Å; F159-M163 HydrophobicContact CE1-SD 4.34Å; F159-M163 HydrophobicContact CE2-CG 4.08Å; F159-M163 HydrophobicContact CE2-SD 4.17Å; F159-M163 HydrophobicContact CG-CG 4.35Å; F159-M163 HydrophobicContact CZ-CG 3.5Å; F159-M163 HydrophobicContact CZ-SD 3.88Å; F159-M163 WeakPolarHBondContact O-CG 3.34Å; F159-M163 PolarHBondContact O-N 3.25Å; E160-M163 PolarHBondContact O-N 2.98Å; M163-S165 VanDerWaalsContact C-N 3.27Å; M163-S165 PolarHBondContact O-N 2.96Å; M163-L166 PolarHBondContact O-N 3.39Å; M163-L166 HydrophobicContact SD-CD1 4.41Å; M163-I167 HydrophobicContact CE-CD1 3.48Å; M163-I167 VanDerWaalsContact CE-CD1 3.48Å; M163-I167 HydrophobicContact CE-CG1 4.34Å; M163-I167 PolarHBondContact O-N 2.76Å; M163-W170 HydrophobicContact CB-CD2 3.52Å; M163-W170 HydrophobicContact CB-CE3 4.04Å; M163-W170 HydrophobicContact CB-CG 3.76Å; M163-W170 HydrophobicContact CB-CH2 4.47Å; M163-W170 HydrophobicContact CB-CZ2 4.03Å; M163-W170 HydrophobicContact CB-CZ3 4.48Å; M163-W170 HydrophobicContact CE-CD2 4.48Å; M163-W170 HydrophobicContact CE-CE3 3.88Å; M163-W170 HydrophobicContact CE-CH2 3.79Å; M163-W170 HydrophobicContact CE-CZ2 4.41Å; M163-W170 HydrophobicContact CE-CZ3 3.49Å; M163-W170 VanDerWaalsContact CE-CZ3 3.49Å; M163-W170 HydrophobicContact CG-CD2 4.31Å; M163-W170 HydrophobicContact CG-CH2 4.25Å; M163-W170 HydrophobicContact CG-CZ2 3.95Å
164K87.9Confident88.2Confident115 Ų11569.2 Ų69.250%0.537%0.366SS..Hα-helixtrans-62.6-32.5171.9-78.8175.1169.1170.60112.8E160 V162 W170E160-K164 HydrophobicContact CG-CD 4.16Å; E160-K164 WeakPolarHBondContact O-CB 3.37Å; E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact OE1-CE 3.3Å; E160-K164 WeakPolarHBondContact OE1-CE 3.34Å; E160-K164 IonicContact OE1-NZ 2.65Å; E160-K164 PolarHBondContact OE1-NZ 3.43Å; V162-K164 PolarHBondContact O-N 3Å; K164-W170 HydrophobicContact CG-CB 4.14Å; K164-W170 HydrophobicContact CG-CG 4.5Å
165S87.2Confident88.1Confident95 Ų9572.3 Ų72.366%0.66438%0.378SS*.Hα-helixtrans-74.3-29.8174.778.20000113A161 V162 M163A161-S165 PolarHBondContact O-N 3.44Å; V162-S165 WeakPolarHBondContact O-CB 3.44Å; V162-S165 PolarHBondContact O-N 3.27Å; V162-S165 PolarHBondContact O-OG 3.1Å; M163-S165 VanDerWaalsContact C-N 3.27Å; M163-S165 PolarHBondContact O-N 2.96Å
166L82.6Confident88Confident82 Ų8272.9 Ų72.943%0.42938%0.381SS..Hα-helixtrans-89.4-35.9-177.1-67.8176.6000113.1V162 M163 A207V162-L166 HydrophobicContact CG1-CD1 3.79Å; V162-L166 HydrophobicContact CG1-CG 4.34Å; V162-L166 WeakPolarHBondContact O-CG 3.38Å; V162-L166 PolarHBondContact O-N 3.4Å; M163-L166 PolarHBondContact O-N 3.39Å; M163-L166 HydrophobicContact SD-CD1 4.41Å; L166-A207 WeakPolarHBondContact O-CA 3.37Å; L166-A207 WeakPolarHBondContact O-CB 3.46Å
167I82.7Confident87.9Confident4 Ų474.8 Ų74.82%0.02140%0.396CS..SBendtrans-125.9111.8-171.9-61.2172.7000109.5M163 G169 W170 G208M163-I167 HydrophobicContact CE-CD1 3.48Å; M163-I167 VanDerWaalsContact CE-CD1 3.48Å; M163-I167 HydrophobicContact CE-CG1 4.34Å; M163-I167 PolarHBondContact O-N 2.76Å; I167-G169 PolarHBondContact O-N 2.73Å; I167-W170 HydrophobicContact CB-CB 4.39Å; I167-W170 HydrophobicContact CB-CE3 4.15Å; I167-W170 HydrophobicContact CD1-CE3 3.69Å; I167-W170 HydrophobicContact CD1-CZ3 3.75Å; I167-W170 HydrophobicContact CG1-CE3 4.48Å; I167-W170 HydrophobicContact CG2-CE3 4.28Å; I167-W170 WeakPolarHBondContact O-CB 3.45Å; I167-W170 PolarHBondContact O-N 2.74Å; I167-W170 VanDerWaalsContact O-N 3.1Å; I167-G208 VanDerWaalsContact CD1-O 3.31Å; I167-G208 WeakPolarHBondContact CD1-O 3.35Å
168K82.8Confident87.9Confident197 Ų19772.4 Ų72.486%0.85738%0.381SS*.THydrogen-bonded Turntrans-60.4124.9177.6-173.1177.9-179179.40109.7
169G83.8Confident88.2Confident65 Ų6565.3 Ų65.367%0.6735%0.35SS*.THydrogen-bonded Turntrans79.816.1-179.900000114.8I167 R171I167-G169 PolarHBondContact O-N 2.73Å; G169-R171 PolarHBondContact O-N 3.46Å
170W85.2Confident88.6Confident40 Ų4062.3 Ų62.315%0.15234%0.338CS..  trans-50.5131.4172.3-178.5-90.1000111.8F159 M163 K164 I167 G172 Y209F159-W170 AromaticContact CE1-CZ2 3.92Å; F159-W170 HydrophobicContact CE1-CZ2 3.92Å; M163-W170 HydrophobicContact CB-CD2 3.52Å; M163-W170 HydrophobicContact CB-CE3 4.04Å; M163-W170 HydrophobicContact CB-CG 3.76Å; M163-W170 HydrophobicContact CB-CH2 4.47Å; M163-W170 HydrophobicContact CB-CZ2 4.03Å; M163-W170 HydrophobicContact CB-CZ3 4.48Å; M163-W170 HydrophobicContact CE-CD2 4.48Å; M163-W170 HydrophobicContact CE-CE3 3.88Å; M163-W170 HydrophobicContact CE-CH2 3.79Å; M163-W170 HydrophobicContact CE-CZ2 4.41Å; M163-W170 HydrophobicContact CE-CZ3 3.49Å; M163-W170 VanDerWaalsContact CE-CZ3 3.49Å; M163-W170 HydrophobicContact CG-CD2 4.31Å; M163-W170 HydrophobicContact CG-CH2 4.25Å; M163-W170 HydrophobicContact CG-CZ2 3.95Å; K164-W170 HydrophobicContact CG-CB 4.14Å; K164-W170 HydrophobicContact CG-CG 4.5Å; I167-W170 HydrophobicContact CB-CB 4.39Å; I167-W170 HydrophobicContact CB-CE3 4.15Å; I167-W170 HydrophobicContact CD1-CE3 3.69Å; I167-W170 HydrophobicContact CD1-CZ3 3.75Å; I167-W170 HydrophobicContact CG1-CE3 4.48Å; I167-W170 HydrophobicContact CG2-CE3 4.28Å; I167-W170 WeakPolarHBondContact O-CB 3.45Å; I167-W170 PolarHBondContact O-N 2.74Å; I167-W170 VanDerWaalsContact O-N 3.1Å; W170-G172 PolarHBondContact NE1-O 2.58Å; W170-Y209 AromaticContact CE3-CD2 3.87Å; W170-Y209 HydrophobicContact CE3-CD2 3.87Å; W170-Y209 HydrophobicContact CE3-CE2 4.36Å; W170-Y209 HydrophobicContact CH2-CE2 4.46Å; W170-Y209 AromaticContact CZ3-CD2 3.76Å; W170-Y209 HydrophobicContact CZ3-CD2 3.76Å; W170-Y209 HydrophobicContact CZ3-CE2 4.07Å
171R84.6Confident89Confident205 Ų20560.9 Ų60.977%0.77433%0.331SS*.  trans-123.7147176.5-66.1-175.3178.4-176.4-1.5110G169G169-R171 PolarHBondContact O-N 3.46Å
172G86.4Confident89.3Confident44 Ų4458.2 Ų58.245%0.45431%0.308SS..SBendtrans86167.6177.400000114.1W170W170-G172 PolarHBondContact NE1-O 2.58Å
173Y90.1Very high89.8Confident105 Ų10555.9 Ų55.941%0.41229%0.293SS..  trans-82.2-18-173-57.8-44.5000113.8M153 E154 F159 E160 R236M153-Y173 HydrophobicContact CE-CD2 4.45Å; M153-Y173 HydrophobicContact CG-CD2 3.7Å; M153-Y173 HydrophobicContact CG-CG 4.26Å; M153-Y173 HydrophobicContact SD-CD2 3.26Å; M153-Y173 WeakPolarHBondContact SD-CD2 3.47Å; M153-Y173 HydrophobicContact SD-CE2 3.85Å; M153-Y173 HydrophobicContact SD-CG 4.13Å; E154-Y173 WeakPolarHBondContact CB-O 3.48Å; F159-Y173 VanDerWaalsContact CD1-O 3.23Å; F159-Y173 WeakPolarHBondContact CD1-O 3.36Å; E160-Y173 WeakPolarHBondContact OE2-CD1 3.45Å; Y173-R236 VanDerWaalsContact CD1-CZ 3.48Å
174G89.6Confident90.4Very high13 Ų1355.1 Ų55.113%0.13429%0.29CS..  trans85.7-176-166.300000112.4E154E154-G174 PolarHBondContact N-O 2.9Å
175Y91.7Very high90.8Very high83 Ų8351.3 Ų51.333%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-129.5142.9-178.9-60.1-72.7000110.9V151 T152 F217V151-Y175 HydrophobicContact CB-CD1 4.16Å; V151-Y175 HydrophobicContact CB-CG 4.2Å; V151-Y175 HydrophobicContact CG2-CD1 3.43Å; V151-Y175 VanDerWaalsContact CG2-CD1 3.43Å; V151-Y175 HydrophobicContact CG2-CD2 4.12Å; V151-Y175 HydrophobicContact CG2-CE1 3.86Å; V151-Y175 HydrophobicContact CG2-CE2 4.48Å; V151-Y175 HydrophobicContact CG2-CG 3.58Å; T152-Y175 CarbonylContact O-C 3.46Å; T152-Y175 VanDerWaalsContact O-CA 3.31Å; T152-Y175 WeakPolarHBondContact O-CA 3.15Å; Y175-F217 HydrophobicContact CD2-CD2 4.28Å; Y175-F217 HydrophobicContact CD2-CE2 4.41Å; Y175-F217 AromaticContact CE2-CD2 3.72Å; Y175-F217 HydrophobicContact CE2-CD2 3.72Å; Y175-F217 HydrophobicContact CE2-CE2 4.15Å; Y175-F217 HydrophobicContact CE2-CG 4.26Å
176N92.4Very high91.2Very high16 Ų1649.2 Ų49.29%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-90.2134.3174.8-169.9-90.2000110.6T152 E154 G178 N225 Q227 H263T152-N176 PolarHBondContact O-N 3.22Å; E154-N176 PolarHBondContact OE2-ND2 3.34Å; N176-G178 WeakPolarHBondContact OD1-CA 3.34Å; N176-G178 PolarHBondContact OD1-N 3.01Å; N176-N225 PolarHBondContact OD1-ND2 2.89Å; N176-Q227 VanDerWaalsContact CB-NE2 3.3Å; N176-Q227 PolarHBondContact ND2-NE2 2.91Å; N176-Q227 PolarHBondContact ND2-OE1 3.24Å; N176-H263 PolarHBondContact OD1-ND1 3.2Å
177S91.5Very high91.8Very high60 Ų6045.3 Ų45.342%0.4224%0.238SC..EExtended strand (participates in β ladder)trans-93.49.3-178.270.30000114.1K106 V179 V180K106-S177 PolarHBondContact NZ-O 2.92Å; K106-S177 PolarHBondContact NZ-OG 3.41Å; S177-V179 VanDerWaalsContact C-N 3.31Å; S177-V179 PolarHBondContact O-N 3.27Å; S177-V180 WeakPolarHBondContact O-CG2 3.17Å
178G92.9Very high92.5Very high0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-65.6-35179.400000113.2L123 D124 L127 N176L123-G178 CarbonylContact C-O 3.55Å; L123-G178 WeakPolarHBondContact CA-O 3.14Å; D124-G178 PolarHBondContact N-O 2.92Å; D124-G178 VanDerWaalsContact OD2-CA 3.29Å; D124-G178 WeakPolarHBondContact OD2-CA 3.44Å; L127-G178 WeakPolarHBondContact CD1-O 3.41Å; N176-G178 WeakPolarHBondContact OD1-CA 3.34Å; N176-G178 PolarHBondContact OD1-N 3.01Å
179V97.2Very high93Very high0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-129.2116174.3-179.30000108.3V122 L123 L127 L136 S177 W224 N225 I261V122-V179 WeakPolarHBondContact O-CA 3.45Å; L123-V179 HydrophobicContact CD2-CG1 4.14Å; L123-V179 HydrophobicContact CD2-CG2 4.08Å; L127-V179 HydrophobicContact CD1-CG2 3.71Å; L127-V179 HydrophobicContact CD2-CG2 4.28Å; L136-V179 HydrophobicContact CD2-CG1 3.63Å; S177-V179 VanDerWaalsContact C-N 3.31Å; S177-V179 PolarHBondContact O-N 3.27Å; V179-W224 WeakPolarHBondContact CG2-O 3.45Å; V179-N225 HydrophobicContact CB-CB 4.23Å; V179-N225 HydrophobicContact CG2-CB 4.12Å; V179-I261 HydrophobicContact CG1-CD1 4.23Å; V179-I261 HydrophobicContact CG2-CD1 4.07Å; V179-I261 HydrophobicContact CG2-CG2 4.12Å
180V97.4Very high93.5Very high13 Ų1344 Ų448%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-134131.6-179-173.50000110.3I121 V122 L149 G150 V151 S177 M182I121-V180 CarbonylContact C-O 3.48Å; V122-V180 HydrophobicContact CB-CB 4.13Å; V122-V180 HydrophobicContact CG2-CB 4.48Å; V122-V180 PolarHBondContact N-O 2.96Å; V122-V180 PolarHBondContact O-N 3.11Å; L149-V180 HydrophobicContact CD2-CG1 4.12Å; G150-V180 CarbonylContact O-C 3.4Å; G150-V180 WeakPolarHBondContact O-CA 3.43Å; V151-V180 HydrophobicContact CG1-CG1 4.06Å; V151-V180 HydrophobicContact CG1-CG2 4.39Å; S177-V180 WeakPolarHBondContact O-CG2 3.17Å; V180-M182 HydrophobicContact CG1-CG 3.77Å
181L98.4Very high93.8Very high0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-91.5124.9165.5-63.1-179.7000108.5I121 L136 H139 F140 F143 L149 G150 I220I121-L181 HydrophobicContact CB-CD2 4.15Å; I121-L181 HydrophobicContact CD1-CD2 3.97Å; I121-L181 HydrophobicContact CG1-CD2 3.53Å; I121-L181 HydrophobicContact CG2-CD2 4.05Å; L136-L181 HydrophobicContact CD1-CD1 4.27Å; L136-L181 HydrophobicContact CD1-CD2 4.37Å; L136-L181 HydrophobicContact CD1-CG 4.46Å; L136-L181 HydrophobicContact CG-CD2 4.11Å; H139-L181 HydrophobicContact CB-CD1 3.61Å; F140-L181 HydrophobicContact CD1-CB 4.46Å; F140-L181 HydrophobicContact CD2-CD2 4.35Å; F140-L181 HydrophobicContact CE1-CB 3.79Å; F140-L181 HydrophobicContact CE2-CB 4.26Å; F140-L181 HydrophobicContact CE2-CD2 3.74Å; F140-L181 HydrophobicContact CE2-CG 4.45Å; F140-L181 HydrophobicContact CZ-CB 3.68Å; F140-L181 HydrophobicContact CZ-CD2 3.97Å; F140-L181 HydrophobicContact CZ-CG 4.35Å; F143-L181 HydrophobicContact CE1-CB 4.45Å; F143-L181 HydrophobicContact CE1-CD1 4.2Å; F143-L181 HydrophobicContact CZ-CB 3.81Å; F143-L181 HydrophobicContact CZ-CD1 4.38Å; L149-L181 CarbonylContact C-O 3.56Å; L149-L181 VanDerWaalsContact CA-O 3.29Å; L149-L181 WeakPolarHBondContact CA-O 3.36Å; G150-L181 PolarHBondContact N-O 2.88Å; G150-L181 PolarHBondContact O-N 2.91Å; L181-I220 HydrophobicContact CB-CD1 4.37Å; L181-I220 HydrophobicContact CD1-CD1 3.71Å; L181-I220 HydrophobicContact CD1-CG1 4.12Å; L181-I220 HydrophobicContact CG-CD1 3.66Å
182M97.8Very high94.2Very high7 Ų737.7 Ų37.73%0.03421%0.214CC..EExtended strand (participates in β ladder)trans-119.8122.2177.8-55.8-173.985.300110.9L109 Q119 V120 V122 L149 V180 L184 L187L109-M182 HydrophobicContact CB-SD 4.22Å; L109-M182 HydrophobicContact CD1-SD 3.55Å; L109-M182 VanDerWaalsContact CD1-SD 3.55Å; L109-M182 HydrophobicContact CG-SD 4.49Å; Q119-M182 WeakPolarHBondContact CA-O 3.49Å; V120-M182 HydrophobicContact CG1-CB 3.91Å; V120-M182 HydrophobicContact CG1-CG 4.48Å; V120-M182 PolarHBondContact N-O 2.53Å; V120-M182 PolarHBondContact O-N 2.7Å; V122-M182 HydrophobicContact CG2-CG 3.87Å; V122-M182 HydrophobicContact CG2-SD 3.59Å; V122-M182 VanDerWaalsContact CG2-SD 3.59Å; L149-M182 HydrophobicContact CD2-CB 4.1Å; L149-M182 HydrophobicContact CD2-CE 3.66Å; L149-M182 HydrophobicContact CD2-CG 3.6Å; L149-M182 HydrophobicContact CD2-SD 4.42Å; V180-M182 HydrophobicContact CG1-CG 3.77Å; M182-L184 HydrophobicContact CB-CD2 3.9Å; M182-L184 PolarHBondContact O-N 2.84Å; M182-L187 HydrophobicContact CB-CD1 3.98Å; M182-L187 HydrophobicContact CE-CD1 3.76Å
183D97.8Very high94.5Very high14 Ų1438 Ų388%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-83.887.7166.8-167.1-39.3000109Q119 I148 A185 K186 L187Q119-D183 PolarHBondContact NE2-OD2 3.3Å; I148-D183 PolarHBondContact O-N 3.37Å; D183-A185 PolarHBondContact O-N 2.85Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 2.98Å; D183-K186 HydrophobicContact CB-CB 4.24Å; D183-K186 HydrophobicContact CB-CD 4.18Å; D183-K186 HydrophobicContact CB-CG 4.28Å; D183-K186 PolarHBondContact O-N 3.46Å; D183-K186 PolarHBondContact OD1-N 2.73Å; D183-K186 WeakPolarHBondContact OD2-CE 3.38Å; D183-L187 WeakPolarHBondContact O-CB 3.42Å; D183-L187 WeakPolarHBondContact O-CD1 3.26Å; D183-L187 VanDerWaalsContact O-CG 3.3Å; D183-L187 WeakPolarHBondContact O-CG 3.34Å; D183-L187 PolarHBondContact O-N 3.26Å
184L97.9Very high94.5Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-63.3-30.1-177.9-56.8-179.5000112.2L109 P110 L113 V117 R118 V120 M182 L187 R188L109-L184 HydrophobicContact CB-CD2 4.24Å; P110-L184 HydrophobicContact CG-CD2 4.03Å; L113-L184 HydrophobicContact CB-CD1 4.16Å; L113-L184 HydrophobicContact CD1-CD1 3.63Å; L113-L184 HydrophobicContact CG-CD1 4.49Å; V117-L184 HydrophobicContact CB-CD1 4.38Å; V117-L184 HydrophobicContact CG1-CD1 3.9Å; R118-L184 WeakPolarHBondContact O-CA 3.28Å; R118-L184 WeakPolarHBondContact O-CB 3.2Å; R118-L184 PolarHBondContact O-N 3.05Å; V120-L184 HydrophobicContact CB-CD1 4.2Å; V120-L184 HydrophobicContact CG1-CD1 3.8Å; V120-L184 HydrophobicContact CG1-CD2 3.97Å; V120-L184 HydrophobicContact CG1-CG 3.9Å; M182-L184 HydrophobicContact CB-CD2 3.9Å; M182-L184 PolarHBondContact O-N 2.84Å; L184-L187 HydrophobicContact CD2-CD1 4.12Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3Å
185A96.7Very high94.4Very high34 Ų3442.1 Ų42.128%0.28123%0.227SC..Hα-helixtrans-63.9-48.4176.500000110.6R118 D183 R188 S189R118-A185 HydrophobicContact CB-CB 4.16Å; R118-A185 HydrophobicContact CG-CB 4.35Å; R118-A185 PolarHBondContact O-N 2.89Å; D183-A185 PolarHBondContact O-N 2.85Å; D183-A185 WeakPolarHBondContact OD1-CB 3.34Å; D183-A185 PolarHBondContact OD1-N 2.98Å; A185-R188 PolarHBondContact O-N 3.45Å; A185-S189 PolarHBondContact O-N 3.46Å
186K95.6Very high94.3Very high51 Ų5138.6 Ų38.622%0.22221%0.213CC..Hα-helixtrans-66.8-40.2175.1-65-177.7-171.1-173.30112.5K144 T145 Q147 I148 D183 R188 S189 L190K144-K186 PolarHBondContact O-NZ 2.97Å; T145-K186 PolarHBondContact O-NZ 3.29Å; Q147-K186 WeakPolarHBondContact O-CD 3.41Å; Q147-K186 PolarHBondContact O-NZ 3.28Å; I148-K186 HydrophobicContact CB-CB 4.46Å; I148-K186 HydrophobicContact CG2-CB 3.65Å; I148-K186 HydrophobicContact CG2-CD 3.91Å; I148-K186 HydrophobicContact CG2-CG 4.46Å; D183-K186 HydrophobicContact CB-CB 4.24Å; D183-K186 HydrophobicContact CB-CD 4.18Å; D183-K186 HydrophobicContact CB-CG 4.28Å; D183-K186 PolarHBondContact O-N 3.46Å; D183-K186 PolarHBondContact OD1-N 2.73Å; D183-K186 WeakPolarHBondContact OD2-CE 3.38Å; K186-R188 VanDerWaalsContact C-N 3.29Å; K186-R188 PolarHBondContact O-N 3.05Å; K186-S189 PolarHBondContact O-N 3.21Å; K186-S189 VanDerWaalsContact O-N 3.17Å; K186-S189 PolarHBondContact O-OG 2.8Å; K186-L190 WeakPolarHBondContact O-CG 3.28Å; K186-L190 PolarHBondContact O-N 3.23Å
187L95.7Very high94.1Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-60.7-39.9177.5-74.7160.8000111.8P110 I148 L149 M182 D183 L184 S189 L190 W192P110-L187 HydrophobicContact CB-CB 4.31Å; P110-L187 HydrophobicContact CG-CB 3.78Å; P110-L187 HydrophobicContact CG-CD1 4.01Å; P110-L187 HydrophobicContact CG-CG 4.43Å; I148-L187 HydrophobicContact CB-CD2 4.38Å; I148-L187 HydrophobicContact CB-CG 4.37Å; I148-L187 HydrophobicContact CD1-CD2 3.72Å; I148-L187 HydrophobicContact CG1-CD2 4.3Å; L149-L187 HydrophobicContact CD2-CD1 4.21Å; M182-L187 HydrophobicContact CB-CD1 3.98Å; M182-L187 HydrophobicContact CE-CD1 3.76Å; D183-L187 WeakPolarHBondContact O-CB 3.42Å; D183-L187 WeakPolarHBondContact O-CD1 3.26Å; D183-L187 VanDerWaalsContact O-CG 3.3Å; D183-L187 WeakPolarHBondContact O-CG 3.34Å; D183-L187 PolarHBondContact O-N 3.26Å; L184-L187 HydrophobicContact CD2-CD1 4.12Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 2.92Å; L187-L190 PolarHBondContact O-N 3.43Å; L187-W192 HydrophobicContact CD2-CD2 3.47Å; L187-W192 VanDerWaalsContact CD2-CD2 3.47Å; L187-W192 HydrophobicContact CD2-CE3 3.48Å; L187-W192 VanDerWaalsContact CD2-CE3 3.48Å; L187-W192 HydrophobicContact CD2-CG 3.96Å; L187-W192 HydrophobicContact CD2-CH2 4.25Å; L187-W192 HydrophobicContact CD2-CZ2 4.25Å; L187-W192 HydrophobicContact CD2-CZ3 3.89Å; L187-W192 WeakPolarHBondContact O-CB 3.41Å
188R96.8Very high93.9Very high71 Ų7139.7 Ų39.727%0.26822%0.217SC..Hα-helixtrans-70.8-22.6177.5-71.8173.4-171133-2.6113.7P110 L113 P114 K115 V117 L184 A185 K186 L190P110-R188 HydrophobicContact CB-CG 3.96Å; P110-R188 PolarHBondContact O-NE 3.02Å; L113-R188 PolarHBondContact O-NH2 2.9Å; P114-R188 PolarHBondContact O-NH2 3.38Å; K115-R188 PolarHBondContact O-NH1 3.46Å; V117-R188 PolarHBondContact O-NH1 3.49Å; V117-R188 PolarHBondContact O-NH2 3.42Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3Å; A185-R188 PolarHBondContact O-N 3.45Å; K186-R188 VanDerWaalsContact C-N 3.29Å; K186-R188 PolarHBondContact O-N 3.05Å; R188-L190 VanDerWaalsContact C-N 3.27Å
189S94.6Very high93.4Very high96 Ų9640.8 Ų40.867%0.67123%0.226SC*.Hα-helixtrans-81.3-8.6173.463.50000113.3A185 K186 L187A185-S189 PolarHBondContact O-N 3.46Å; K186-S189 PolarHBondContact O-N 3.21Å; K186-S189 VanDerWaalsContact O-N 3.17Å; K186-S189 PolarHBondContact O-OG 2.8Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 2.92Å
190L92.9Very high92.7Very high72 Ų7242.3 Ų42.338%0.37723%0.234SC..THydrogen-bonded Turntrans-101.3159.2176.3-64.3173.5000109.9I148 K186 L187 R188 W192 L195I148-L190 HydrophobicContact CD1-CD1 3.79Å; I148-L190 HydrophobicContact CG2-CD1 4.17Å; K186-L190 WeakPolarHBondContact O-CG 3.28Å; K186-L190 PolarHBondContact O-N 3.23Å; L187-L190 PolarHBondContact O-N 3.43Å; R188-L190 VanDerWaalsContact C-N 3.27Å; L190-W192 PolarHBondContact O-N 2.91Å; L190-L195 HydrophobicContact CB-CD1 4.39Å
191P92.6Very high92Very high84 Ų8446.6 Ų46.655%0.54525%0.251SS..THydrogen-bonded Turntrans-7353.5166.833.5-36.2000110.4N193 H194 L195P191-N193 VanDerWaalsContact C-N 3.32Å; P191-N193 PolarHBondContact O-N 3.15Å; P191-H194 HydrophobicContact CB-CB 4.29Å; P191-H194 WeakPolarHBondContact O-CA 3.34Å; P191-H194 WeakPolarHBondContact O-CB 3.29Å; P191-H194 PolarHBondContact O-N 2.74Å; P191-L195 HydrophobicContact CG-CD1 4.46Å; P191-L195 HydrophobicContact CG-CG 4.37Å; P191-L195 PolarHBondContact O-N 2.95Å
192W93.4Very high91.1Very high28 Ų2850.4 Ų50.411%0.10627%0.268CS..Hα-helixtrans-54.5-44.9-168.8170.9-113.5000112.7L107 P110 L149 L187 L190 H194 L195 W196L107-W192 HydrophobicContact CD2-CH2 4.39Å; L107-W192 HydrophobicContact CD2-CZ2 3.83Å; L107-W192 PolarHBondContact O-NE1 2.88Å; P110-W192 HydrophobicContact CG-CG 4.43Å; L149-W192 HydrophobicContact CD1-CH2 4.04Å; L187-W192 HydrophobicContact CD2-CD2 3.47Å; L187-W192 VanDerWaalsContact CD2-CD2 3.47Å; L187-W192 HydrophobicContact CD2-CE3 3.48Å; L187-W192 VanDerWaalsContact CD2-CE3 3.48Å; L187-W192 HydrophobicContact CD2-CG 3.96Å; L187-W192 HydrophobicContact CD2-CH2 4.25Å; L187-W192 HydrophobicContact CD2-CZ2 4.25Å; L187-W192 HydrophobicContact CD2-CZ3 3.89Å; L187-W192 WeakPolarHBondContact O-CB 3.41Å; L190-W192 PolarHBondContact O-N 2.91Å; W192-H194 VanDerWaalsContact C-N 3.29Å; W192-H194 PolarHBondContact O-N 2.74Å; W192-L195 HydrophobicContact CE3-CB 4.47Å; W192-L195 PolarHBondContact O-N 3.13Å; W192-L195 VanDerWaalsContact O-N 3.08Å; W192-W196 AromaticContact CD1-CD1 3.78Å; W192-W196 AromaticContact CE2-CD1 3.64Å; W192-W196 HydrophobicContact CH2-CB 4.14Å; W192-W196 HydrophobicContact CZ2-CB 4.05Å; W192-W196 HydrophobicContact CZ2-CG 4.4Å; W192-W196 HydrophobicContact CZ3-CB 4.49Å; W192-W196 AromaticContact NE1-CD1 3.47Å; W192-W196 PolarHBondContact O-N 3.02Å
193N90.9Very high90Very high52 Ų5253.2 Ų53.228%0.27829%0.285SS..Hα-helixtrans-57.4-43.2177.5-79-9.1000112.3E111 P191 W196 M197E111-N193 PolarHBondContact OE2-ND2 3.26Å; P191-N193 VanDerWaalsContact C-N 3.32Å; P191-N193 PolarHBondContact O-N 3.15Å; N193-W196 PolarHBondContact OD1-NE1 3.01Å; N193-W196 VanDerWaalsContact OD1-NE1 3.15Å; N193-M197 HydrophobicContact CB-CE 4.22Å; N193-M197 VanDerWaalsContact O-CB 3.24Å; N193-M197 WeakPolarHBondContact O-CB 3.46Å; N193-M197 WeakPolarHBondContact O-CG 3.23Å; N193-M197 PolarHBondContact O-N 3.38Å
194H90.3Very high88.8Confident125 Ų12556.6 Ų56.658%0.57930%0.302SS*.Hα-helixtrans-65.2-42.7175.4178-88.2000111.8P191 W192 S198P191-H194 HydrophobicContact CB-CB 4.29Å; P191-H194 WeakPolarHBondContact O-CA 3.34Å; P191-H194 WeakPolarHBondContact O-CB 3.29Å; P191-H194 PolarHBondContact O-N 2.74Å; W192-H194 VanDerWaalsContact C-N 3.29Å; W192-H194 PolarHBondContact O-N 2.74Å; H194-S198 VanDerWaalsContact O-CB 3.24Å; H194-S198 WeakPolarHBondContact O-CB 3.4Å; H194-S198 PolarHBondContact O-N 2.93Å; H194-S198 PolarHBondContact O-OG 2.99Å
195L88.7Confident87.5Confident79 Ų7964.7 Ų64.741%0.41434%0.337SS..Hα-helixtrans-61.9-54.4-177.9-67.9172.9000112.3L190 P191 W192 S198 A199L190-L195 HydrophobicContact CB-CD1 4.39Å; P191-L195 HydrophobicContact CG-CD1 4.46Å; P191-L195 HydrophobicContact CG-CG 4.37Å; P191-L195 PolarHBondContact O-N 2.95Å; W192-L195 HydrophobicContact CE3-CB 4.47Å; W192-L195 PolarHBondContact O-N 3.13Å; W192-L195 VanDerWaalsContact O-N 3.08Å; L195-S198 PolarHBondContact O-N 3.3Å; L195-A199 WeakPolarHBondContact O-CB 3.49Å; L195-A199 PolarHBondContact O-N 3.3Å
196W89Confident85.7Confident9 Ų967.8 Ų67.83%0.03435%0.352CS..Hα-helixtrans-69.3-36.9-177.675.1-107.7000111.8I90 W92 L107 L108 W192 N193 S198 A199 I200I90-W196 HydrophobicContact CG2-CH2 3.98Å; W92-W196 HydrophobicContact CH2-CZ3 4.27Å; W92-W196 AromaticContact CZ2-CH2 3.98Å; W92-W196 HydrophobicContact CZ2-CH2 3.98Å; W92-W196 AromaticContact CZ2-CZ3 3.64Å; W92-W196 HydrophobicContact CZ2-CZ3 3.64Å; L107-W196 HydrophobicContact CB-CD2 4.05Å; L107-W196 HydrophobicContact CB-CE3 4.49Å; L107-W196 HydrophobicContact CB-CG 4.18Å; L107-W196 HydrophobicContact CD1-CD2 4Å; L107-W196 HydrophobicContact CD1-CE3 3.69Å; L107-W196 HydrophobicContact CD1-CG 4.36Å; L107-W196 HydrophobicContact CD1-CZ3 4.28Å; L107-W196 HydrophobicContact CD2-CB 4.35Å; L108-W196 HydrophobicContact CD2-CZ2 3.64Å; W192-W196 AromaticContact CD1-CD1 3.78Å; W192-W196 AromaticContact CE2-CD1 3.64Å; W192-W196 HydrophobicContact CH2-CB 4.14Å; W192-W196 HydrophobicContact CZ2-CB 4.05Å; W192-W196 HydrophobicContact CZ2-CG 4.4Å; W192-W196 HydrophobicContact CZ3-CB 4.49Å; W192-W196 AromaticContact NE1-CD1 3.47Å; W192-W196 PolarHBondContact O-N 3.02Å; N193-W196 PolarHBondContact OD1-NE1 3.01Å; N193-W196 VanDerWaalsContact OD1-NE1 3.15Å; W196-S198 VanDerWaalsContact C-N 3.32Å; W196-S198 PolarHBondContact O-N 3.33Å; W196-A199 WeakPolarHBondContact O-CB 3.24Å; W196-A199 PolarHBondContact O-N 3Å; W196-I200 HydrophobicContact CE3-CD1 3.58Å; W196-I200 HydrophobicContact CE3-CG1 4.27Å; W196-I200 HydrophobicContact CZ3-CD1 3.75Å; W196-I200 WeakPolarHBondContact O-CG1 3.33Å; W196-I200 PolarHBondContact O-N 3.38Å
197M89Confident83.5Confident48 Ų4867.9 Ų67.924%0.23636%0.362CS..Hα-helixtrans-63.2-41.9176.6-71.8177.9-169.100111W92 N193 I200 K201W92-M197 HydrophobicContact CH2-CB 4.41Å; W92-M197 HydrophobicContact CZ2-CB 4.29Å; W92-M197 HydrophobicContact CZ2-CG 3.97Å; N193-M197 HydrophobicContact CB-CE 4.22Å; N193-M197 VanDerWaalsContact O-CB 3.24Å; N193-M197 WeakPolarHBondContact O-CB 3.46Å; N193-M197 WeakPolarHBondContact O-CG 3.23Å; N193-M197 PolarHBondContact O-N 3.38Å; M197-I200 PolarHBondContact O-N 3.24Å; M197-K201 WeakPolarHBondContact O-CB 3.45Å; M197-K201 VanDerWaalsContact O-CG 3.28Å; M197-K201 WeakPolarHBondContact O-CG 3.48Å; M197-K201 PolarHBondContact O-N 3.34Å
198S86.5Confident81Confident51 Ų5168.8 Ų68.836%0.35737%0.372SS..Hα-helixtrans-63.8-42.4176.2-60.80000111.2H194 L195 W196 K201 F202H194-S198 VanDerWaalsContact O-CB 3.24Å; H194-S198 WeakPolarHBondContact O-CB 3.4Å; H194-S198 PolarHBondContact O-N 2.93Å; H194-S198 PolarHBondContact O-OG 2.99Å; L195-S198 PolarHBondContact O-N 3.3Å; W196-S198 VanDerWaalsContact C-N 3.32Å; W196-S198 PolarHBondContact O-N 3.33Å; S198-K201 PolarHBondContact O-N 2.74Å; S198-F202 VanDerWaalsContact O-CB 3.22Å; S198-F202 WeakPolarHBondContact O-CB 3.43Å; S198-F202 PolarHBondContact O-N 2.98Å
199A83.2Confident78.5Confident22 Ų2269.5 Ų69.518%0.18238%0.375CS..Hα-helixtrans-59.2-48175.600000112.3L195 W196 F202 V203 L210L195-A199 WeakPolarHBondContact O-CB 3.49Å; L195-A199 PolarHBondContact O-N 3.3Å; W196-A199 WeakPolarHBondContact O-CB 3.24Å; W196-A199 PolarHBondContact O-N 3Å; A199-F202 WeakPolarHBondContact O-CB 3.5Å; A199-F202 PolarHBondContact O-N 3.42Å; A199-V203 WeakPolarHBondContact O-CG2 3.45Å; A199-V203 PolarHBondContact O-N 3.27Å; A199-L210 HydrophobicContact CB-CD1 3.5Å
200I81.5Confident76Confident33 Ų3369.7 Ų69.717%0.16937%0.368CS..Hα-helixtrans-64.8-46.7178.2-68-176.4000110.7W92 V93 L107 W196 M197 F202 V203 M204W92-I200 HydrophobicContact CH2-CB 3.97Å; W92-I200 HydrophobicContact CH2-CG2 3.75Å; W92-I200 HydrophobicContact CZ3-CB 4.44Å; W92-I200 HydrophobicContact CZ3-CG2 3.81Å; V93-I200 HydrophobicContact CG1-CG2 4.27Å; V93-I200 HydrophobicContact CG2-CD1 4.35Å; V93-I200 HydrophobicContact CG2-CG2 4.18Å; L107-I200 HydrophobicContact CD1-CD1 3.75Å; W196-I200 HydrophobicContact CE3-CD1 3.58Å; W196-I200 HydrophobicContact CE3-CG1 4.27Å; W196-I200 HydrophobicContact CZ3-CD1 3.75Å; W196-I200 WeakPolarHBondContact O-CG1 3.33Å; W196-I200 PolarHBondContact O-N 3.38Å; M197-I200 PolarHBondContact O-N 3.24Å; I200-F202 PolarHBondContact O-N 3.01Å; I200-V203 PolarHBondContact O-N 3.12Å; I200-M204 HydrophobicContact CG2-CE 4.02Å; I200-M204 HydrophobicContact CG2-CG 4.21Å; I200-M204 HydrophobicContact CG2-SD 4.01Å; I200-M204 WeakPolarHBondContact O-CB 3.37Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.34Å; I200-M204 PolarHBondContact O-N 3.25Å
201K82.7Confident73.5Confident102 Ų10271.5 Ų71.544%0.44339%0.387SS..Hα-helixtrans-58.8-37177.4-75.3176.3-178.7178.30112.1W92 M197 S198 M204 K205W92-K201 HydrophobicContact CH2-CG 3.92Å; W92-K201 HydrophobicContact CZ3-CD 4.46Å; W92-K201 HydrophobicContact CZ3-CG 3.59Å; M197-K201 WeakPolarHBondContact O-CB 3.45Å; M197-K201 VanDerWaalsContact O-CG 3.28Å; M197-K201 WeakPolarHBondContact O-CG 3.48Å; M197-K201 PolarHBondContact O-N 3.34Å; S198-K201 PolarHBondContact O-N 2.74Å; K201-M204 HydrophobicContact CG-CE 4.49Å; K201-K205 VanDerWaalsContact O-CB 3.28Å; K201-K205 WeakPolarHBondContact O-CB 3.48Å; K201-K205 VanDerWaalsContact O-CG 3.24Å; K201-K205 WeakPolarHBondContact O-CG 3.36Å; K201-K205 PolarHBondContact O-N 3.49Å
202F78.9Confident71.1Confident81 Ų8170 Ų7036%0.35538%0.381SS..Hα-helixtrans-67-51.3177.1179.2-119.4000111.9S198 A199 I200 M204 K205 T206 G208S198-F202 VanDerWaalsContact O-CB 3.22Å; S198-F202 WeakPolarHBondContact O-CB 3.43Å; S198-F202 PolarHBondContact O-N 2.98Å; A199-F202 WeakPolarHBondContact O-CB 3.5Å; A199-F202 PolarHBondContact O-N 3.42Å; I200-F202 PolarHBondContact O-N 3.01Å; F202-M204 VanDerWaalsContact C-N 3.26Å; F202-M204 PolarHBondContact O-N 3.08Å; F202-K205 PolarHBondContact O-N 3.36Å; F202-T206 PolarHBondContact O-N 3.22Å; F202-G208 WeakPolarHBondContact CD1-O 3.31Å; F202-G208 WeakPolarHBondContact CE1-O 3.29Å; F202-G208 WeakPolarHBondContact CZ-O 3.42Å
203V74.7Confident69.2Low66 Ų6669.2 Ų69.240%0.438%0.382SS..Hα-helixtrans-58.9-38.9176173.50000111.5A199 I200 K205A199-V203 WeakPolarHBondContact O-CG2 3.45Å; A199-V203 PolarHBondContact O-N 3.27Å; I200-V203 PolarHBondContact O-N 3.12Å; V203-K205 VanDerWaalsContact C-N 3.34Å
204M72.2Confident67.4Low85 Ų8573.1 Ų73.142%0.41940%0.399SS..Hα-helixtrans-71.1-26.8176.8-70.6-168.5-44.800113.5W92 I200 K201 F202W92-M204 HydrophobicContact CE3-CE 3.72Å; W92-M204 HydrophobicContact CZ3-CE 3.4Å; I200-M204 HydrophobicContact CG2-CE 4.02Å; I200-M204 HydrophobicContact CG2-CG 4.21Å; I200-M204 HydrophobicContact CG2-SD 4.01Å; I200-M204 WeakPolarHBondContact O-CB 3.37Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.34Å; I200-M204 PolarHBondContact O-N 3.25Å; K201-M204 HydrophobicContact CG-CE 4.49Å; F202-M204 VanDerWaalsContact C-N 3.26Å; F202-M204 PolarHBondContact O-N 3.08Å
205K71.3Confident66Low170 Ų17074.1 Ų74.174%0.73940%0.404SS*.Hα-helixtrans-90.9-43-176.8-78.2-176.8176.6-169.20112.9K201 F202 V203K201-K205 VanDerWaalsContact O-CB 3.28Å; K201-K205 WeakPolarHBondContact O-CB 3.48Å; K201-K205 VanDerWaalsContact O-CG 3.24Å; K201-K205 WeakPolarHBondContact O-CG 3.36Å; K201-K205 PolarHBondContact O-N 3.49Å; F202-K205 PolarHBondContact O-N 3.36Å; V203-K205 VanDerWaalsContact C-N 3.34Å
206T59.5Low65.6Low98 Ų9873.1 Ų73.160%0.60140%0.398SS*.  trans-171.1159.3-166.6-20.20000115.1F202 G208F202-T206 PolarHBondContact O-N 3.22Å; T206-G208 VanDerWaalsContact C-N 3.31Å; T206-G208 PolarHBondContact O-N 2.78Å
207A48.2Very low65.6Low53 Ų5375.2 Ų75.244%0.43841%0.408SS..SBendtrans-61.362.3179.200000117L166L166-A207 WeakPolarHBondContact O-CA 3.37Å; L166-A207 WeakPolarHBondContact O-CB 3.46Å
208G44.2Very low65.9Low19 Ų1974.6 Ų74.620%0.19640%0.403CS..  trans-129.3152.9169.200000112.1I167 F202 T206I167-G208 VanDerWaalsContact CD1-O 3.31Å; I167-G208 WeakPolarHBondContact CD1-O 3.35Å; F202-G208 WeakPolarHBondContact CD1-O 3.31Å; F202-G208 WeakPolarHBondContact CE1-O 3.29Å; F202-G208 WeakPolarHBondContact CZ-O 3.42Å; T206-G208 VanDerWaalsContact C-N 3.31Å; T206-G208 PolarHBondContact O-N 2.78Å
209Y43.6Very low66.3Low87 Ų8777.3 Ų77.334%0.34141%0.41SS..  trans-101.9141.6-177.6176.2-113.3000110.5W170 S211W170-Y209 AromaticContact CE3-CD2 3.87Å; W170-Y209 HydrophobicContact CE3-CD2 3.87Å; W170-Y209 HydrophobicContact CE3-CE2 4.36Å; W170-Y209 HydrophobicContact CH2-CE2 4.46Å; W170-Y209 AromaticContact CZ3-CD2 3.76Å; W170-Y209 HydrophobicContact CZ3-CD2 3.76Å; W170-Y209 HydrophobicContact CZ3-CE2 4.07Å; Y209-S211 VanDerWaalsContact CD1-CA 3.47Å; Y209-S211 VanDerWaalsContact CE1-CA 3.47Å; Y209-S211 PolarHBondContact O-N 2.78Å; Y209-S211 VanDerWaalsContact O-N 3.1Å
210L43.5Very low66.9Low100 Ų10076.3 Ų76.352%0.52440%0.402SS..  trans-75.393.8163.3-82.9163.8000108.1A199 A212 G213A199-L210 HydrophobicContact CB-CD1 3.5Å; L210-A212 PolarHBondContact O-N 2.95Å; L210-G213 PolarHBondContact O-N 3.49Å
211S39.5Very low67.6Low109 Ų10976.6 Ų76.676%0.76241%0.406SS*.THydrogen-bonded Turntrans-57.3-15.2-18053.10000114.9Y209Y209-S211 VanDerWaalsContact CD1-CA 3.47Å; Y209-S211 VanDerWaalsContact CE1-CA 3.47Å; Y209-S211 PolarHBondContact O-N 2.78Å; Y209-S211 VanDerWaalsContact O-N 3.1Å
212A42.5Very low68.2Low52 Ų5272.6 Ų72.643%0.4339%0.39SS..THydrogen-bonded Turntrans-99.61-175.100000115.4L210 E214 Q215L210-A212 PolarHBondContact O-N 2.95Å; A212-E214 PolarHBondContact O-N 3.5Å; A212-Q215 PolarHBondContact O-N 3.13Å
213G53.1Low69Low13 Ų1370.2 Ų70.213%0.13438%0.38CS..G310 helixtrans-58.7-41.9-172.900000114.1L210 Q215 I216 F217L210-G213 PolarHBondContact O-N 3.49Å; G213-Q215 PolarHBondContact O-N 2.78Å; G213-Q215 VanDerWaalsContact O-N 3.14Å; G213-I216 WeakPolarHBondContact O-CB 3.33Å; G213-I216 PolarHBondContact O-N 3.45Å; G213-F217 WeakPolarHBondContact O-CD2 3.3Å; G213-F217 WeakPolarHBondContact O-CE2 3.48Å; G213-F217 PolarHBondContact O-N 3.17Å
214E53Low70Confident133 Ų13367.5 Ų67.562%0.62136%0.363SS*.G310 helixtrans-62.9-25.8-172-65-17917200114A212A212-E214 PolarHBondContact O-N 3.5Å
215Q60.2Low71.2Confident146 Ų14663.4 Ų63.468%0.68234%0.343SS*.G310 helixtrans-83.2-15179.2-63.8-174.4-200113.8S146 A212 G213S146-Q215 PolarHBondContact OG-O 3.37Å; A212-Q215 PolarHBondContact O-N 3.13Å; G213-Q215 PolarHBondContact O-N 2.78Å; G213-Q215 VanDerWaalsContact O-N 3.14Å
216I81.2Confident72.4Confident59 Ų5955.4 Ų55.430%0.30331%0.308SS..THydrogen-bonded Turntrans-93-26.4-174.7-60.1176.3000110.6Q147 I148 L149 G213Q147-I216 WeakPolarHBondContact CA-O 3.35Å; I148-I216 HydrophobicContact CD1-CG2 3.43Å; I148-I216 VanDerWaalsContact CD1-CG2 3.43Å; I148-I216 HydrophobicContact CG1-CG2 3.32Å; I148-I216 PolarHBondContact N-O 2.81Å; L149-I216 PolarHBondContact N-O 3.15Å; G213-I216 WeakPolarHBondContact O-CB 3.33Å; G213-I216 PolarHBondContact O-N 3.45Å
217F89.9Confident74.1Confident52 Ų5250.9 Ų50.923%0.22828%0.28CS..EExtended strand (participates in β ladder)trans-96.1140.3-177.5-60-62.2000112.6Q147 L149 V151 Y175 G213Q147-F217 PolarHBondContact NE2-O 3.15Å; L149-F217 HydrophobicContact CB-CD1 3.71Å; L149-F217 HydrophobicContact CB-CE1 3.94Å; L149-F217 HydrophobicContact CD1-CD1 4.29Å; L149-F217 HydrophobicContact CD1-CE1 3.63Å; L149-F217 HydrophobicContact CG-CE1 4.42Å; L149-F217 CarbonylContact O-C 3.55Å; L149-F217 VanDerWaalsContact O-CA 3.3Å; L149-F217 WeakPolarHBondContact O-CA 3.36Å; V151-F217 HydrophobicContact CG1-CD1 4.27Å; V151-F217 HydrophobicContact CG2-CB 3.94Å; V151-F217 HydrophobicContact CG2-CD1 3.75Å; V151-F217 HydrophobicContact CG2-CG 3.96Å; Y175-F217 HydrophobicContact CD2-CD2 4.28Å; Y175-F217 HydrophobicContact CD2-CE2 4.41Å; Y175-F217 AromaticContact CE2-CD2 3.72Å; Y175-F217 HydrophobicContact CE2-CD2 3.72Å; Y175-F217 HydrophobicContact CE2-CE2 4.15Å; Y175-F217 HydrophobicContact CE2-CG 4.26Å; G213-F217 WeakPolarHBondContact O-CD2 3.3Å; G213-F217 WeakPolarHBondContact O-CE2 3.48Å; G213-F217 PolarHBondContact O-N 3.17Å
218Y94.3Very high76.2Confident35 Ų3548.5 Ų48.514%0.13726%0.26CS..EExtended strand (participates in β ladder)trans-99.5122.5160.9171.1-96.8000108.4H139 F143 L149 G150 V151 I220H139-Y218 HydrophobicContact CB-CE1 3.81Å; H139-Y218 AromaticContact ND1-CE1 3.51Å; H139-Y218 AromaticContact ND1-CZ 3.59Å; H139-Y218 PolarHBondContact ND1-OH 2.78Å; F143-Y218 AromaticContact CD1-CD1 3.89Å; F143-Y218 HydrophobicContact CD1-CD1 3.89Å; F143-Y218 HydrophobicContact CD1-CD2 4.15Å; F143-Y218 AromaticContact CD1-CG 3.6Å; F143-Y218 HydrophobicContact CD1-CG 3.6Å; F143-Y218 VanDerWaalsContact CE1-CB 3.5Å; F143-Y218 AromaticContact CE1-CD1 3.45Å; F143-Y218 HydrophobicContact CE1-CD1 3.45Å; F143-Y218 VanDerWaalsContact CE1-CD1 3.45Å; F143-Y218 HydrophobicContact CE1-CE1 4.32Å; F143-Y218 AromaticContact CE1-CG 3.56Å; F143-Y218 HydrophobicContact CE1-CG 3.56Å; F143-Y218 HydrophobicContact CZ-CD1 4.49Å; L149-Y218 PolarHBondContact O-N 2.92Å; G150-Y218 CarbonylContact C-O 3.49Å; G150-Y218 WeakPolarHBondContact CA-O 3.21Å; V151-Y218 PolarHBondContact N-O 3.05Å; Y218-I220 HydrophobicContact CD1-CG1 3.87Å; Y218-I220 HydrophobicContact CE1-CG1 3.94Å; Y218-I220 PolarHBondContact O-N 2.83Å
219E94.2Very high78.4Confident108 Ų10848.2 Ų48.251%0.50526%0.255SS..EExtended strand (participates in β ladder)trans-80.9112.3177.8-169.7171.6179.100110.3V151V151-E219 WeakPolarHBondContact O-CA 3.28Å
220I96.2Very high80.4Confident1 Ų147.8 Ų47.81%0.00527%0.265CS..  trans-77.5139.6173.9-56.2165.9000107.7L136 G150 V151 T152 L181 Y218 C222 W224L136-I220 HydrophobicContact CD1-CD1 4.24Å; L136-I220 HydrophobicContact CD1-CG2 3.79Å; G150-I220 WeakPolarHBondContact O-CD1 3.38Å; V151-I220 PolarHBondContact O-N 3.09Å; T152-I220 HydrophobicContact CG2-CB 3.89Å; T152-I220 HydrophobicContact CG2-CG2 4.23Å; L181-I220 HydrophobicContact CB-CD1 4.37Å; L181-I220 HydrophobicContact CD1-CD1 3.71Å; L181-I220 HydrophobicContact CD1-CG1 4.12Å; L181-I220 HydrophobicContact CG-CD1 3.66Å; Y218-I220 HydrophobicContact CD1-CG1 3.87Å; Y218-I220 HydrophobicContact CE1-CG1 3.94Å; Y218-I220 PolarHBondContact O-N 2.83Å; I220-C222 PolarHBondContact O-N 3.4Å; I220-W224 HydrophobicContact CG2-CB 3.62Å; I220-W224 HydrophobicContact CG2-CG 3.75Å
221P96Very high82.6Confident40 Ų4045.6 Ų45.626%0.2627%0.266SS..  trans-51.4134.7175.8-26.534.1000112.2H139 E223 W224H139-P221 WeakPolarHBondContact CE1-CD 3.5Å; P221-E223 HydrophobicContact CB-CG 4.26Å; P221-E223 WeakPolarHBondContact CB-OE1 3.48Å; P221-E223 WeakPolarHBondContact CB-OE2 3.26Å; P221-E223 PolarHBondContact O-N 3.23Å; P221-W224 WeakPolarHBondContact O-CB 3.41Å; P221-W224 PolarHBondContact O-N 3.26Å
222C95.7Very high85.1Confident17 Ų1741.2 Ų41.212%0.11524%0.235CC..G310 helixtrans-61-23.8-168.368.20000114.2I220 W224 N225 I226 C237I220-C222 PolarHBondContact O-N 3.4Å; C222-W224 PolarHBondContact O-N 2.7Å; C222-W224 VanDerWaalsContact O-N 3.1Å; C222-N225 CarbonylContact O-C 3.53Å; C222-N225 PolarHBondContact O-N 3.2Å; C222-I226 WeakPolarHBondContact O-CD1 3.36Å; C222-C237 HydrophobicContact CB-CB 3.6Å; C222-C237 WeakPolarHBondContact CB-SG 3.4Å; C222-C237 WeakPolarHBondContact SG-CB 3.14Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.03Å
223E95.2Very high87.5Confident31 Ų3141.1 Ų41.115%0.14523%0.227CC..G310 helixtrans-59.1-19.2173.460.3-93.8-139.300114P221 N225 K257 Q258 K260 I261P221-E223 HydrophobicContact CB-CG 4.26Å; P221-E223 WeakPolarHBondContact CB-OE1 3.48Å; P221-E223 WeakPolarHBondContact CB-OE2 3.26Å; P221-E223 PolarHBondContact O-N 3.23Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3.22Å; E223-K257 HydrophobicContact CB-CB 4.45Å; E223-K257 IonicContact OE1-NZ 3.63Å; E223-K257 PolarHBondContact OE1-NZ 2.77Å; E223-K257 WeakPolarHBondContact OE2-CD 3.47Å; E223-K257 IonicContact OE2-NZ 3.28Å; E223-K257 PolarHBondContact OE2-NZ 3.01Å; E223-Q258 WeakPolarHBondContact CB-O 3.13Å; E223-K260 HydrophobicContact CB-CG 4.43Å; E223-K260 HydrophobicContact CG-CG 4.03Å; E223-K260 WeakPolarHBondContact O-CA 3.34Å; E223-K260 WeakPolarHBondContact O-CB 3.13Å; E223-K260 PolarHBondContact O-N 2.98Å; E223-I261 PolarHBondContact O-N 2.91Å; E223-I261 VanDerWaalsContact O-N 3.13Å
224W97.3Very high89.3Confident9 Ų941.8 Ų41.83%0.03423%0.229CC..G310 helixtrans-80.11.5173.9-72.4106.8000114.3D132 E135 L136 H139 T152 V179 I220 P221 C222 K260 I261D132-W224 WeakPolarHBondContact O-CH2 3.31Å; E135-W224 HydrophobicContact CB-CH2 3.67Å; E135-W224 HydrophobicContact CB-CZ2 3.58Å; L136-W224 HydrophobicContact CB-CD2 4.14Å; L136-W224 HydrophobicContact CB-CE3 3.7Å; L136-W224 HydrophobicContact CB-CH2 3.91Å; L136-W224 HydrophobicContact CB-CZ2 4.27Å; L136-W224 HydrophobicContact CB-CZ3 3.6Å; L136-W224 HydrophobicContact CD1-CB 4.28Å; L136-W224 HydrophobicContact CD1-CD2 3.86Å; L136-W224 HydrophobicContact CD1-CE3 4.02Å; L136-W224 HydrophobicContact CD1-CG 3.96Å; L136-W224 HydrophobicContact CD2-CE3 4Å; L136-W224 HydrophobicContact CD2-CZ3 4.47Å; L136-W224 HydrophobicContact CG-CD2 4.41Å; L136-W224 HydrophobicContact CG-CE3 4.09Å; L136-W224 HydrophobicContact CG-CZ3 4.46Å; H139-W224 AromaticContact NE2-NE1 3.4Å; H139-W224 PolarHBondContact NE2-NE1 3.35Å; T152-W224 HydrophobicContact CG2-CB 4.49Å; V179-W224 WeakPolarHBondContact CG2-O 3.45Å; I220-W224 HydrophobicContact CG2-CB 3.62Å; I220-W224 HydrophobicContact CG2-CG 3.75Å; P221-W224 WeakPolarHBondContact O-CB 3.41Å; P221-W224 PolarHBondContact O-N 3.26Å; C222-W224 PolarHBondContact O-N 2.7Å; C222-W224 VanDerWaalsContact O-N 3.1Å; W224-K260 HydrophobicContact CD2-CB 3.74Å; W224-K260 HydrophobicContact CD2-CG 4.25Å; W224-K260 HydrophobicContact CE3-CB 3.59Å; W224-K260 HydrophobicContact CE3-CG 4.45Å; W224-K260 HydrophobicContact CG-CB 4.37Å; W224-K260 HydrophobicContact CH2-CB 3.99Å; W224-K260 HydrophobicContact CH2-CD 4.07Å; W224-K260 HydrophobicContact CH2-CG 4.21Å; W224-K260 HydrophobicContact CZ2-CB 4.19Å; W224-K260 HydrophobicContact CZ2-CD 4.12Å; W224-K260 HydrophobicContact CZ2-CG 4.05Å; W224-K260 HydrophobicContact CZ3-CB 3.7Å; W224-K260 HydrophobicContact CZ3-CG 4.42Å; W224-I261 HydrophobicContact CE3-CD1 3.81Å; W224-I261 HydrophobicContact CE3-CG1 3.76Å; W224-I261 HydrophobicContact CZ3-CD1 4.28Å; W224-I261 HydrophobicContact CZ3-CG1 4.17Å; W224-I261 VanDerWaalsContact O-CB 3.31Å; W224-I261 WeakPolarHBondContact O-CB 3.41Å
225N96.7Very high91.2Very high0 Ų043.2 Ų43.20%024%0.235CC..G310 helixtrans-161.268.1173.2-1694.4000110.7T152 Q155 N176 V179 C222 E223 Q227 H263T152-N225 HydrophobicContact CG2-CB 3.61Å; T152-N225 VanDerWaalsContact OG1-CB 3.23Å; T152-N225 WeakPolarHBondContact OG1-CB 3.44Å; T152-N225 PolarHBondContact OG1-ND2 3.46Å; Q155-N225 PolarHBondContact NE2-O 3.23Å; N176-N225 PolarHBondContact OD1-ND2 2.89Å; V179-N225 HydrophobicContact CB-CB 4.23Å; V179-N225 HydrophobicContact CG2-CB 4.12Å; C222-N225 CarbonylContact O-C 3.53Å; C222-N225 PolarHBondContact O-N 3.2Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3.22Å; N225-Q227 PolarHBondContact O-N 3.38Å; N225-H263 VanDerWaalsContact OD1-CB 3.24Å; N225-H263 WeakPolarHBondContact OD1-CB 3.3Å; N225-H263 PolarHBondContact OD1-ND1 3.27Å
226I96.1Very high92.7Very high2 Ų237.6 Ų37.61%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-73.6117.2175.8-61.3-56.8000109.7C222 C237 V239 P259 I261 V262 H263 L295C222-I226 WeakPolarHBondContact O-CD1 3.36Å; I226-C237 HydrophobicContact CD1-CB 3.98Å; I226-C237 WeakPolarHBondContact CD1-SG 3.45Å; I226-V239 HydrophobicContact CD1-CB 4.42Å; I226-V239 HydrophobicContact CD1-CG1 3.51Å; I226-V239 HydrophobicContact CD1-CG2 4.02Å; I226-V239 HydrophobicContact CG1-CG1 4.07Å; I226-V239 HydrophobicContact CG1-CG2 4.15Å; I226-V239 HydrophobicContact CG2-CG2 4.12Å; I226-P259 HydrophobicContact CB-CB 4.5Å; I226-P259 HydrophobicContact CG1-CB 3.88Å; I226-I261 PolarHBondContact N-O 2.96Å; I226-V262 HydrophobicContact CB-CG2 4.36Å; I226-V262 CarbonylContact O-C 3.57Å; I226-V262 WeakPolarHBondContact O-CA 3.36Å; I226-H263 PolarHBondContact O-N 3.37Å; I226-L295 HydrophobicContact CG2-CD1 4.14Å
227Q95Very high93.3Very high2 Ų235 Ų351%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-91.4144.4-174.2-55.8-170.739.600111.7E154 Q155 N176 N225 V232 N265E154-Q227 VanDerWaalsContact OE1-CD 3.24Å; E154-Q227 PolarHBondContact OE1-NE2 3.45Å; E154-Q227 PolarHBondContact OE1-OE1 3.33Å; Q155-Q227 HydrophobicContact CB-CB 4.22Å; Q155-Q227 HydrophobicContact CB-CG 4.18Å; Q155-Q227 HydrophobicContact CG-CG 4.39Å; N176-Q227 VanDerWaalsContact CB-NE2 3.3Å; N176-Q227 PolarHBondContact ND2-NE2 2.91Å; N176-Q227 PolarHBondContact ND2-OE1 3.24Å; N225-Q227 PolarHBondContact O-N 3.38Å; Q227-V232 HydrophobicContact CB-CG2 4.13Å; Q227-N265 PolarHBondContact OE1-ND2 2.84Å
228L92.9Very high93.3Very high4 Ų435.4 Ų35.42%0.02120%0.203CC..  trans-122.927.4180-58.9-178.5000112.4V262 H263 L264 N265 H266 L295 Y299L228-V262 HydrophobicContact CD1-CG1 3.4Å; L228-V262 VanDerWaalsContact CD1-CG1 3.4Å; L228-V262 HydrophobicContact CD2-CG1 4.31Å; L228-V262 HydrophobicContact CG-CG1 3.76Å; L228-H263 PolarHBondContact N-O 3.46Å; L228-L264 HydrophobicContact CB-CD1 4.07Å; L228-L264 HydrophobicContact CD1-CD1 3.99Å; L228-N265 PolarHBondContact N-OD1 3.39Å; L228-H266 WeakPolarHBondContact O-CB 3.47Å; L228-H266 PolarHBondContact O-CD2 3.35Å; L228-H266 VanDerWaalsContact O-CD2 3.23Å; L228-L295 HydrophobicContact CD2-CB 3.51Å; L228-L295 HydrophobicContact CD2-CD1 4.23Å; L228-L295 HydrophobicContact CD2-CG 4.48Å; L228-Y299 HydrophobicContact CD1-CD2 4Å; L228-Y299 HydrophobicContact CD1-CG 3.82Å
229S89.4Confident93.1Very high12 Ų1233.8 Ų33.88%0.08420%0.196CC..  trans-68.1154.6176.4530000111.2N156 G231 V232 N265N156-S229 PolarHBondContact ND2-OG 3Å; S229-G231 PolarHBondContact O-N 3.29Å; S229-V232 WeakPolarHBondContact O-CB 3.23Å; S229-V232 WeakPolarHBondContact O-CG1 3.44Å; S229-V232 PolarHBondContact O-N 3.44Å; S229-V232 VanDerWaalsContact O-N 3.09Å; S229-N265 WeakPolarHBondContact CA-OD1 3.43Å; S229-N265 VanDerWaalsContact CB-CG 3.46Å; S229-N265 WeakPolarHBondContact CB-ND2 3.2Å; S229-N265 WeakPolarHBondContact CB-OD1 3.44Å; S229-N265 PolarHBondContact N-OD1 3.01Å
230S86.1Confident92.7Very high79 Ų7928.8 Ų28.855%0.55217%0.173SC*.THydrogen-bonded Turntrans-55.7128.3168.8-177.10000110.9N156N156-S230 PolarHBondContact ND2-O 3.38Å
231G89.3Confident92.1Very high54 Ų5429.4 Ų29.456%0.55718%0.176SC*.THydrogen-bonded Turntrans78.114-17900000114.9P157 S229P157-G231 VanDerWaalsContact CD-O 3.28Å; P157-G231 WeakPolarHBondContact CD-O 3.27Å; S229-G231 PolarHBondContact O-N 3.29Å
232V92.4Very high91.2Very high17 Ų1728.1 Ų28.110%0.10317%0.167CC..  trans-57.6137.717367.50000111Q155 Q227 S229 A292Q155-V232 HydrophobicContact CB-CG2 3.68Å; Q227-V232 HydrophobicContact CB-CG2 4.13Å; S229-V232 WeakPolarHBondContact O-CB 3.23Å; S229-V232 WeakPolarHBondContact O-CG1 3.44Å; S229-V232 PolarHBondContact O-N 3.44Å; S229-V232 VanDerWaalsContact O-N 3.09Å; V232-A292 HydrophobicContact CG1-CB 3.57Å
233D93.5Very high89.9Confident50 Ų5029.9 Ų29.927%0.26718%0.177SC..  trans-94.399.7174.6178.55.4000109.7Q155 P157 H235 R236Q155-D233 PolarHBondContact O-N 3.12Å; P157-D233 HydrophobicContact CG-CB 4.42Å; D233-H235 PolarHBondContact O-N 3.38Å; D233-H235 VanDerWaalsContact O-N 3.17Å; D233-H235 VanDerWaalsContact OD1-CB 3.25Å; D233-H235 WeakPolarHBondContact OD1-CB 3.48Å; D233-H235 IonicContact OD1-CD2 2.73Å; D233-H235 PolarHBondContact OD1-CD2 3.3Å; D233-H235 VanDerWaalsContact OD1-CD2 3.28Å; D233-H235 IonicContact OD1-CG 2.65Å; D233-H235 PolarHBondContact OD1-N 3.06Å; D233-R236 HydrophobicContact CB-CG 4.13Å; D233-R236 WeakPolarHBondContact O-CB 3.24Å; D233-R236 PolarHBondContact O-N 3.16Å; D233-R236 VanDerWaalsContact O-N 3.11Å; D233-R236 IonicContact OD2-NE 3.74Å
234T91Very high88.3Confident27 Ų2731.6 Ų31.617%0.16619%0.185CC..G310 helixtrans-65.4-14.4179.850.60000113.3R236 C237 P238 A292 L295T234-R236 VanDerWaalsContact C-N 3.27Å; T234-R236 PolarHBondContact O-N 2.91Å; T234-C237 CarbonylContact O-C 3.22Å; T234-C237 PolarHBondContact O-N 3.29Å; T234-P238 WeakPolarHBondContact O-CA 3.12Å; T234-A292 HydrophobicContact CG2-CB 4.16Å; T234-L295 HydrophobicContact CG2-CD1 4.29Å
235H91.5Very high86.5Confident163 Ų16335.7 Ų35.776%0.75521%0.208SC*.G310 helixtrans-72.3-21.5174.2-59.4-75.6000112.5D233 C237D233-H235 PolarHBondContact O-N 3.38Å; D233-H235 VanDerWaalsContact O-N 3.17Å; D233-H235 VanDerWaalsContact OD1-CB 3.25Å; D233-H235 WeakPolarHBondContact OD1-CB 3.48Å; D233-H235 IonicContact OD1-CD2 2.73Å; D233-H235 PolarHBondContact OD1-CD2 3.3Å; D233-H235 VanDerWaalsContact OD1-CD2 3.28Å; D233-H235 IonicContact OD1-CG 2.65Å; D233-H235 PolarHBondContact OD1-N 3.06Å; H235-C237 VanDerWaalsContact C-N 3.3Å; H235-C237 PolarHBondContact O-N 3.24Å
236R92.6Very high84.8Confident27 Ų2737.3 Ų37.310%0.10222%0.219CC..G310 helixtrans-70.6-25.6174.8-67.1179.1-176.6-153.5-7.3113.2M153 E154 Q155 E160 Y173 D233 T234M153-R236 HydrophobicContact SD-CB 4Å; M153-R236 HydrophobicContact SD-CG 4.43Å; E154-R236 PolarHBondContact O-NH1 3.06Å; Q155-R236 HydrophobicContact CG-CB 4.32Å; E160-R236 IonicContact OE2-CZ 2.92Å; E160-R236 IonicContact OE2-NH2 2.9Å; E160-R236 PolarHBondContact OE2-NH2 3.09Å; Y173-R236 VanDerWaalsContact CD1-CZ 3.48Å; D233-R236 HydrophobicContact CB-CG 4.13Å; D233-R236 WeakPolarHBondContact O-CB 3.24Å; D233-R236 PolarHBondContact O-N 3.16Å; D233-R236 VanDerWaalsContact O-N 3.11Å; D233-R236 IonicContact OD2-NE 3.74Å; T234-R236 VanDerWaalsContact C-N 3.27Å; T234-R236 PolarHBondContact O-N 2.91Å
237C93.4Very high83.2Confident4 Ų440.3 Ų40.33%0.02724%0.235CC..SBendtrans-14982.9172.1-168.20000110.8Q155 C222 I226 T234 H235 V239Q155-C237 HydrophobicContact CG-CB 4.34Å; C222-C237 HydrophobicContact CB-CB 3.6Å; C222-C237 WeakPolarHBondContact CB-SG 3.4Å; C222-C237 WeakPolarHBondContact SG-CB 3.14Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.03Å; I226-C237 HydrophobicContact CD1-CB 3.98Å; I226-C237 WeakPolarHBondContact CD1-SG 3.45Å; T234-C237 CarbonylContact O-C 3.22Å; T234-C237 PolarHBondContact O-N 3.29Å; H235-C237 VanDerWaalsContact C-N 3.3Å; H235-C237 PolarHBondContact O-N 3.24Å; C237-V239 PolarHBondContact O-N 3.21Å
238P91.1Very high81.4Confident62 Ų6246 Ų4640%0.40326%0.264SS..  trans-69.5120.2-178.927.6-33.5000110.2T234 T289T234-P238 WeakPolarHBondContact O-CA 3.12Å; P238-T289 HydrophobicContact CB-CG2 3.59Å
239V89.7Confident79.5Confident1 Ų152.5 Ų52.51%0.00630%0.299CS..BIsolated β-bridgetrans-131154176.9-67.30000111.8I226 C237 K257 Y290 L295I226-V239 HydrophobicContact CD1-CB 4.42Å; I226-V239 HydrophobicContact CD1-CG1 3.51Å; I226-V239 HydrophobicContact CD1-CG2 4.02Å; I226-V239 HydrophobicContact CG1-CG1 4.07Å; I226-V239 HydrophobicContact CG1-CG2 4.15Å; I226-V239 HydrophobicContact CG2-CG2 4.12Å; C237-V239 PolarHBondContact O-N 3.21Å; V239-K257 WeakPolarHBondContact CA-O 3.28Å; V239-K257 WeakPolarHBondContact CB-O 3.47Å; V239-K257 HydrophobicContact CG1-CB 4.21Å; V239-K257 VanDerWaalsContact CG1-O 3.27Å; V239-K257 WeakPolarHBondContact CG1-O 3.23Å; V239-Y290 PolarHBondContact O-N 2.99Å; V239-L295 HydrophobicContact CG2-CD1 4.03Å; V239-L295 HydrophobicContact CG2-CD2 3.91Å
240S85.6Confident77.8Confident3 Ų352.8 Ų52.82%0.02130%0.301CS..  trans-121.5126.6168.1-62.50000107.3L242 K257 Q258 T288S240-L242 PolarHBondContact O-N 2.88Å; S240-K257 PolarHBondContact N-O 3.24Å; S240-K257 VanDerWaalsContact N-O 3.13Å; S240-Q258 PolarHBondContact O-NE2 2.89Å; S240-Q258 PolarHBondContact O-OE1 2.85Å; S240-T288 PolarHBondContact OG-O 2.88Å
241W83.8Confident75.9Confident13 Ų1352.3 Ų52.35%0.04931%0.309CS..  trans-100.976.7-179-161.9-15.9000110.1L128 N130 P259 V262 Y290 L295 V298 E302L128-W241 HydrophobicContact CD2-CH2 4.37Å; N130-W241 HydrophobicContact CB-CZ2 4.33Å; N130-W241 PolarHBondContact ND2-NE1 2.91Å; W241-P259 HydrophobicContact CB-CG 3.73Å; W241-P259 HydrophobicContact CD2-CG 3.48Å; W241-P259 VanDerWaalsContact CD2-CG 3.48Å; W241-P259 HydrophobicContact CE3-CG 3.97Å; W241-P259 HydrophobicContact CG-CG 3.38Å; W241-V262 HydrophobicContact CE3-CG2 4.11Å; W241-V262 HydrophobicContact CH2-CB 4.12Å; W241-V262 HydrophobicContact CH2-CG1 4.49Å; W241-V262 HydrophobicContact CH2-CG2 3.61Å; W241-V262 HydrophobicContact CZ2-CG2 4.26Å; W241-V262 HydrophobicContact CZ3-CB 4.11Å; W241-V262 HydrophobicContact CZ3-CG1 4.06Å; W241-V262 HydrophobicContact CZ3-CG2 3.55Å; W241-Y290 HydrophobicContact CB-CD2 4.03Å; W241-Y290 HydrophobicContact CB-CE2 3.84Å; W241-Y290 PolarHBondContact O-OH 3.41Å; W241-L295 HydrophobicContact CB-CD2 4.32Å; W241-L295 HydrophobicContact CE3-CD2 4.32Å; W241-V298 HydrophobicContact CB-CG1 4.19Å; W241-V298 HydrophobicContact CD2-CB 4.38Å; W241-V298 HydrophobicContact CD2-CG1 3.48Å; W241-V298 VanDerWaalsContact CD2-CG1 3.48Å; W241-V298 HydrophobicContact CE3-CB 3.98Å; W241-V298 HydrophobicContact CE3-CG1 3.54Å; W241-V298 HydrophobicContact CG-CG1 3.76Å; W241-V298 HydrophobicContact CZ3-CB 4.42Å; W241-V298 HydrophobicContact CZ3-CG1 4.08Å; W241-E302 HydrophobicContact CH2-CB 4.33Å; W241-E302 HydrophobicContact CH2-CG 4.18Å; W241-E302 HydrophobicContact CZ2-CB 4.2Å; W241-E302 HydrophobicContact CZ2-CG 3.71Å
242L76.2Confident73.9Confident14 Ų1455.6 Ų55.67%0.07331%0.314CS..  trans-84.6146.7-171.3-61.9178.2000111.6S240 L247 Y255 L287 Y290S240-L242 PolarHBondContact O-N 2.88Å; L242-L247 HydrophobicContact CB-CD2 4.02Å; L242-L247 HydrophobicContact CB-CG 3.96Å; L242-L247 HydrophobicContact CD1-CD2 3.97Å; L242-Y255 HydrophobicContact CD1-CG 4.41Å; L242-L287 HydrophobicContact CD1-CD2 4.04Å; L242-L287 HydrophobicContact CD2-CD2 4.17Å; L242-Y290 HydrophobicContact CD2-CE1 4.49Å
243T68.3Low71.9Confident54 Ų5463.4 Ų63.433%0.33135%0.354SS..  trans-72.6159.2170.476.10000110.7N245 S246 L247T243-N245 VanDerWaalsContact C-N 3.25Å; T243-N245 PolarHBondContact O-N 3.41Å; T243-S246 WeakPolarHBondContact O-CB 2.9Å; T243-S246 PolarHBondContact O-N 3.42Å; T243-S246 VanDerWaalsContact O-N 3.08Å; T243-S246 PolarHBondContact OG1-N 2.99Å; T243-S246 PolarHBondContact OG1-OG 3.46Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 2.85Å
244E63.2Low69.8Low67 Ų6768.4 Ų68.431%0.31338%0.379SS..Hα-helixtrans-59-37179.3-161-165.2144.700112.6K29 S39 S246 L247 L248K29-E244 WeakPolarHBondContact CE-OE2 3.41Å; K29-E244 IonicContact NZ-OE1 3.29Å; K29-E244 PolarHBondContact NZ-OE1 3.15Å; K29-E244 IonicContact NZ-OE2 3.73Å; K29-E244 PolarHBondContact NZ-OE2 3.01Å; S39-E244 WeakPolarHBondContact CB-OE2 2.85Å; E244-S246 VanDerWaalsContact C-N 3.32Å; E244-S246 PolarHBondContact O-N 2.95Å; E244-L247 PolarHBondContact O-N 2.87Å; E244-L248 HydrophobicContact CG-CD1 4.28Å; E244-L248 WeakPolarHBondContact O-CG 3.48Å; E244-L248 PolarHBondContact O-N 3.39Å
245N59Low68.2Low95 Ų9571.1 Ų71.151%0.50839%0.387SS..Hα-helixtrans-66.2-38177.6-68.4-6.3000111.2K29 T243 N249K29-N245 PolarHBondContact NZ-OD1 2.72Å; K29-N245 VanDerWaalsContact NZ-OD1 3.15Å; T243-N245 VanDerWaalsContact C-N 3.25Å; T243-N245 PolarHBondContact O-N 3.41Å; N245-N249 WeakPolarHBondContact O-CB 3.04Å; N245-N249 VanDerWaalsContact O-CG 3.27Å; N245-N249 PolarHBondContact O-N 3.36Å; N245-N249 PolarHBondContact O-ND2 2.85Å
246S61.2Low66.7Low34 Ų3464.7 Ų64.724%0.23837%0.365CS..Hα-helixtrans-65.3-39.6174.6-49.80000111.6T243 E244 S250T243-S246 WeakPolarHBondContact O-CB 2.9Å; T243-S246 PolarHBondContact O-N 3.42Å; T243-S246 VanDerWaalsContact O-N 3.08Å; T243-S246 PolarHBondContact OG1-N 2.99Å; T243-S246 PolarHBondContact OG1-OG 3.46Å; E244-S246 VanDerWaalsContact C-N 3.32Å; E244-S246 PolarHBondContact O-N 2.95Å; S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.39Å; S246-S250 PolarHBondContact O-N 3.31Å; S246-S250 PolarHBondContact O-OG 2.84Å; S246-S250 VanDerWaalsContact O-OG 3.12Å
247L61.9Low66.1Low65 Ų6568.4 Ų68.434%0.3438%0.381SS..Hα-helixtrans-69.3-35179.1-70.8168.3000113.4L242 T243 E244 S250L242-L247 HydrophobicContact CB-CD2 4.02Å; L242-L247 HydrophobicContact CB-CG 3.96Å; L242-L247 HydrophobicContact CD1-CD2 3.97Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 2.85Å; E244-L247 PolarHBondContact O-N 2.87Å; L247-S250 PolarHBondContact O-OG 2.91Å
248L57.5Low65.8Low120 Ų12069.9 Ų69.963%0.62839%0.388SS*.Hα-helixtrans-73.9-34.9178.8-73.6165.2000112.4E244 S250E244-L248 HydrophobicContact CG-CD1 4.28Å; E244-L248 WeakPolarHBondContact O-CG 3.48Å; E244-L248 PolarHBondContact O-N 3.39Å; L248-S250 VanDerWaalsContact C-N 3.31Å
249N53.1Low65.9Low142 Ų14267 Ų6776%0.75937%0.369SS*.Hα-helixtrans-79.7-17.2179.8-68.9-12.8000112.7N245 G251N245-N249 WeakPolarHBondContact O-CB 3.04Å; N245-N249 VanDerWaalsContact O-CG 3.27Å; N245-N249 PolarHBondContact O-N 3.36Å; N245-N249 PolarHBondContact O-ND2 2.85Å; N249-G251 PolarHBondContact O-N 2.88Å
250S52.8Low66.1Low17 Ų1768.9 Ų68.912%0.11938%0.377CS..  trans-94.376.5-176.473.10000109.7S246 L247 L248 D252 Y255S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.39Å; S246-S250 PolarHBondContact O-N 3.31Å; S246-S250 PolarHBondContact O-OG 2.84Å; S246-S250 VanDerWaalsContact O-OG 3.12Å; L247-S250 PolarHBondContact O-OG 2.91Å; L248-S250 VanDerWaalsContact C-N 3.31Å; S250-D252 PolarHBondContact O-N 2.78Å; S250-Y255 WeakPolarHBondContact OG-CE2 3.44Å
251G47.3Very low66.6Low70 Ų7068.8 Ų68.872%0.72238%0.376SS*.  trans-60.42.2-17000000118.1N249N249-G251 PolarHBondContact O-N 2.88Å
252D47.4Very low67.2Low123 Ų12368.1 Ų68.166%0.65837%0.374SS*.SBendtrans-143.8128.4-177.7-76.5-52.7000112.6S250 I254 Y255S250-D252 PolarHBondContact O-N 2.78Å; D252-I254 VanDerWaalsContact C-N 3.25Å; D252-I254 PolarHBondContact O-N 3.13Å; D252-Y255 WeakPolarHBondContact O-CD2 3.24Å; D252-Y255 WeakPolarHBondContact O-CE2 3.46Å
253L49.3Very low68.1Low181 Ų18167.9 Ų67.995%0.94837%0.372SS*.SBendtrans-65.644.4-170.1-79.4136.3000116.8
254I49.3Very low69.1Low154 Ų15465.4 Ų65.479%0.7936%0.357SS*.  trans-90.5-3.4176.1-53.6179.5000112.1D252D252-I254 VanDerWaalsContact C-N 3.25Å; D252-I254 PolarHBondContact O-N 3.13Å
255Y57.3Low69.9Low85 Ų8564.4 Ų64.433%0.33335%0.354SS..PPolyproline II helixtrans-82.2136.6-169-52.2-70.6000113L242 S250 D252 L287L242-Y255 HydrophobicContact CD1-CG 4.41Å; S250-Y255 WeakPolarHBondContact OG-CE2 3.44Å; D252-Y255 WeakPolarHBondContact O-CD2 3.24Å; D252-Y255 WeakPolarHBondContact O-CE2 3.46Å; Y255-L287 HydrophobicContact CD1-CB 4.43Å; Y255-L287 HydrophobicContact CD1-CD2 4.23Å; Y255-L287 HydrophobicContact CE1-CB 4.05Å; Y255-L287 HydrophobicContact CE1-CD1 4.24Å; Y255-L287 HydrophobicContact CE1-CD2 3.93Å; Y255-L287 HydrophobicContact CE1-CG 4.3Å
256G60.2Low70.6Confident28 Ų2862 Ų6229%0.28934%0.339SS..PPolyproline II helixtrans-52.4158.6178.300000113Q258G256-Q258 PolarHBondContact O-N 3.24Å
257K80.8Confident71Confident104 Ų10468.2 Ų68.245%0.45237%0.365SS..BIsolated β-bridgetrans-51.1139-178.1-68.2173161.2-157.80110.9E223 V239 S240E223-K257 HydrophobicContact CB-CB 4.45Å; E223-K257 IonicContact OE1-NZ 3.63Å; E223-K257 PolarHBondContact OE1-NZ 2.77Å; E223-K257 WeakPolarHBondContact OE2-CD 3.47Å; E223-K257 IonicContact OE2-NZ 3.28Å; E223-K257 PolarHBondContact OE2-NZ 3.01Å; V239-K257 WeakPolarHBondContact CA-O 3.28Å; V239-K257 WeakPolarHBondContact CB-O 3.47Å; V239-K257 HydrophobicContact CG1-CB 4.21Å; V239-K257 VanDerWaalsContact CG1-O 3.27Å; V239-K257 WeakPolarHBondContact CG1-O 3.23Å; S240-K257 PolarHBondContact N-O 3.24Å; S240-K257 VanDerWaalsContact N-O 3.13Å
258Q86.8Confident71.7Confident36 Ų3668 Ų6817%0.16837%0.366CS..PPolyproline II helixtrans-80.2137.9172.9-64.4-63.7-55.300109.3E223 S240 G256 K260E223-Q258 WeakPolarHBondContact CB-O 3.13Å; S240-Q258 PolarHBondContact O-NE2 2.89Å; S240-Q258 PolarHBondContact O-OE1 2.85Å; G256-Q258 PolarHBondContact O-N 3.24Å; Q258-K260 PolarHBondContact O-N 3.1Å
259P92.6Very high72.8Confident0 Ų065.5 Ų65.50%035%0.35CS..PPolyproline II helixtrans-60.7134172.725.5-32000109.9N130 I226 W241 V262N130-P259 WeakPolarHBondContact CB-O 2.94Å; N130-P259 PolarHBondContact ND2-O 2.87Å; I226-P259 HydrophobicContact CB-CB 4.5Å; I226-P259 HydrophobicContact CG1-CB 3.88Å; W241-P259 HydrophobicContact CB-CG 3.73Å; W241-P259 HydrophobicContact CD2-CG 3.48Å; W241-P259 VanDerWaalsContact CD2-CG 3.48Å; W241-P259 HydrophobicContact CE3-CG 3.97Å; W241-P259 HydrophobicContact CG-CG 3.38Å; P259-V262 HydrophobicContact CB-CG2 3.61Å; P259-V262 HydrophobicContact CG-CG2 4.29Å
260K94.4Very high74.1Confident42 Ų4259 Ų5918%0.18332%0.315CS..SBendtrans-101.7-35.9174.8-67.3-77.2-177158.60111.6N130 G131 E135 E223 W224 Q258N130-K260 PolarHBondContact N-O 2.98Å; G131-K260 PolarHBondContact N-O 3.07Å; E135-K260 IonicContact OE1-NZ 3.74Å; E135-K260 PolarHBondContact OE1-NZ 3.31Å; E135-K260 IonicContact OE2-NZ 3.71Å; E135-K260 PolarHBondContact OE2-NZ 3.45Å; E223-K260 HydrophobicContact CB-CG 4.43Å; E223-K260 HydrophobicContact CG-CG 4.03Å; E223-K260 WeakPolarHBondContact O-CA 3.34Å; E223-K260 WeakPolarHBondContact O-CB 3.13Å; E223-K260 PolarHBondContact O-N 2.98Å; W224-K260 HydrophobicContact CD2-CB 3.74Å; W224-K260 HydrophobicContact CD2-CG 4.25Å; W224-K260 HydrophobicContact CE3-CB 3.59Å; W224-K260 HydrophobicContact CE3-CG 4.45Å; W224-K260 HydrophobicContact CG-CB 4.37Å; W224-K260 HydrophobicContact CH2-CB 3.99Å; W224-K260 HydrophobicContact CH2-CD 4.07Å; W224-K260 HydrophobicContact CH2-CG 4.21Å; W224-K260 HydrophobicContact CZ2-CB 4.19Å; W224-K260 HydrophobicContact CZ2-CD 4.12Å; W224-K260 HydrophobicContact CZ2-CG 4.05Å; W224-K260 HydrophobicContact CZ3-CB 3.7Å; W224-K260 HydrophobicContact CZ3-CG 4.42Å; Q258-K260 PolarHBondContact O-N 3.1Å
261I96.5Very high75.4Confident0 Ų062.7 Ų62.70%033%0.331CS..EExtended strand (participates in β ladder)trans-137.7135.1168.3-52.1-176.8000108L123 L127 L128 L129 L136 V179 E223 W224 I226L123-I261 HydrophobicContact CD2-CD1 4.37Å; L127-I261 HydrophobicContact CB-CG2 3.99Å; L127-I261 HydrophobicContact CD1-CG2 4.14Å; L127-I261 HydrophobicContact CD2-CG2 3.99Å; L127-I261 HydrophobicContact CG-CG2 4.27Å; L128-I261 WeakPolarHBondContact O-CA 3.42Å; L129-I261 HydrophobicContact CG-CD1 4.34Å; L129-I261 HydrophobicContact CG-CG1 4.13Å; L136-I261 HydrophobicContact CD2-CD1 3.83Å; V179-I261 HydrophobicContact CG1-CD1 4.23Å; V179-I261 HydrophobicContact CG2-CD1 4.07Å; V179-I261 HydrophobicContact CG2-CG2 4.12Å; E223-I261 PolarHBondContact O-N 2.91Å; E223-I261 VanDerWaalsContact O-N 3.13Å; W224-I261 HydrophobicContact CE3-CD1 3.81Å; W224-I261 HydrophobicContact CE3-CG1 3.76Å; W224-I261 HydrophobicContact CZ3-CD1 4.28Å; W224-I261 HydrophobicContact CZ3-CG1 4.17Å; W224-I261 VanDerWaalsContact O-CB 3.31Å; W224-I261 WeakPolarHBondContact O-CB 3.41Å; I226-I261 PolarHBondContact N-O 2.96Å
262V95.7Very high76.9Confident0 Ų064.8 Ų64.80%033%0.325CS..EExtended strand (participates in β ladder)trans-116.1126.9177.6-172.50000109.3L127 L128 I226 L228 W241 P259 Y299L127-V262 CarbonylContact C-O 3.45Å; L127-V262 WeakPolarHBondContact CA-O 3.49Å; L128-V262 PolarHBondContact N-O 2.96Å; L128-V262 PolarHBondContact O-N 3.49Å; I226-V262 HydrophobicContact CB-CG2 4.36Å; I226-V262 CarbonylContact O-C 3.57Å; I226-V262 WeakPolarHBondContact O-CA 3.36Å; L228-V262 HydrophobicContact CD1-CG1 3.4Å; L228-V262 VanDerWaalsContact CD1-CG1 3.4Å; L228-V262 HydrophobicContact CD2-CG1 4.31Å; L228-V262 HydrophobicContact CG-CG1 3.76Å; W241-V262 HydrophobicContact CE3-CG2 4.11Å; W241-V262 HydrophobicContact CH2-CB 4.12Å; W241-V262 HydrophobicContact CH2-CG1 4.49Å; W241-V262 HydrophobicContact CH2-CG2 3.61Å; W241-V262 HydrophobicContact CZ2-CG2 4.26Å; W241-V262 HydrophobicContact CZ3-CB 4.11Å; W241-V262 HydrophobicContact CZ3-CG1 4.06Å; W241-V262 HydrophobicContact CZ3-CG2 3.55Å; P259-V262 HydrophobicContact CB-CG2 3.61Å; P259-V262 HydrophobicContact CG-CG2 4.29Å; V262-Y299 HydrophobicContact CB-CD2 4.01Å; V262-Y299 HydrophobicContact CG1-CD2 3.65Å; V262-Y299 HydrophobicContact CG1-CE2 4.39Å; V262-Y299 HydrophobicContact CG1-CG 4.47Å
263H94.5Very high78.4Confident9 Ų961.5 Ų61.54%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-106.8109.1-173.8-176.3178.9000110.3D124 C126 L127 N176 N225 I226 L228 N265D124-H263 IonicContact OD2-CE1 3.53Å; D124-H263 IonicContact OD2-NE2 3.39Å; C126-H263 VanDerWaalsContact SG-CD2 3.56Å; C126-H263 PolarHBondContact SG-NE2 3.12Å; L127-H263 HydrophobicContact CD2-CB 3.4Å; L127-H263 VanDerWaalsContact CD2-CB 3.4Å; L127-H263 VanDerWaalsContact CD2-CG 3.47Å; N176-H263 PolarHBondContact OD1-ND1 3.2Å; N225-H263 VanDerWaalsContact OD1-CB 3.24Å; N225-H263 WeakPolarHBondContact OD1-CB 3.3Å; N225-H263 PolarHBondContact OD1-ND1 3.27Å; I226-H263 PolarHBondContact O-N 3.37Å; L228-H263 PolarHBondContact N-O 3.46Å; H263-N265 VanDerWaalsContact C-N 3.29Å; H263-N265 PolarHBondContact O-N 3.34Å; H263-N265 PolarHBondContact O-OD1 3.08Å; H263-N265 VanDerWaalsContact O-OD1 3.13Å
264L91.3Very high79.3Confident1 Ų157.6 Ų57.61%0.00529%0.288CS..  trans-83.674.2173.9-166.379.9000112C126 L228 H266 K269 P270 Y296 Y299C126-L264 PolarHBondContact O-N 2.86Å; L228-L264 HydrophobicContact CB-CD1 4.07Å; L228-L264 HydrophobicContact CD1-CD1 3.99Å; L264-H266 HydrophobicContact CD1-CB 3.58Å; L264-H266 HydrophobicContact CG-CB 3.86Å; L264-H266 PolarHBondContact O-N 2.92Å; L264-K269 HydrophobicContact CD2-CD 4.22Å; L264-K269 PolarHBondContact O-NZ 2.96Å; L264-P270 VanDerWaalsContact CD2-CD 3.4Å; L264-P270 HydrophobicContact CD2-CG 3.71Å; L264-Y296 HydrophobicContact CD1-CD2 3.55Å; L264-Y296 HydrophobicContact CD1-CE2 3.53Å; L264-Y299 HydrophobicContact CB-CD1 4.47Å; L264-Y299 HydrophobicContact CB-CE1 3.82Å; L264-Y299 HydrophobicContact CB-CE2 3.94Å; L264-Y299 VanDerWaalsContact CB-CZ 3.49Å; L264-Y299 WeakPolarHBondContact CB-OH 3.28Å; L264-Y299 HydrophobicContact CD1-CD1 3.93Å; L264-Y299 HydrophobicContact CD1-CE1 3.97Å; L264-Y299 HydrophobicContact CD1-CG 4.46Å; L264-Y299 HydrophobicContact CD2-CD1 4.36Å; L264-Y299 HydrophobicContact CD2-CE1 3.66Å; L264-Y299 HydrophobicContact CG-CD1 4.48Å; L264-Y299 HydrophobicContact CG-CE1 4.01Å
265N78.5Confident80.2Confident46 Ų4653.5 Ų53.525%0.24627%0.267CS..  trans-82.324.3164.256.9-12.8000112.6Q227 L228 S229 H263Q227-N265 PolarHBondContact OE1-ND2 2.84Å; L228-N265 PolarHBondContact N-OD1 3.39Å; S229-N265 WeakPolarHBondContact CA-OD1 3.43Å; S229-N265 VanDerWaalsContact CB-CG 3.46Å; S229-N265 WeakPolarHBondContact CB-ND2 3.2Å; S229-N265 WeakPolarHBondContact CB-OD1 3.44Å; S229-N265 PolarHBondContact N-OD1 3.01Å; H263-N265 VanDerWaalsContact C-N 3.29Å; H263-N265 PolarHBondContact O-N 3.34Å; H263-N265 PolarHBondContact O-OD1 3.08Å; H263-N265 VanDerWaalsContact O-OD1 3.13Å
266H73.8Confident80.5Confident45 Ų4556.9 Ų56.921%0.20828%0.283CS..  trans-76.2153.2175.2-161.7-96.2000111.9L228 L264 V268 K269 Y296L228-H266 WeakPolarHBondContact O-CB 3.47Å; L228-H266 PolarHBondContact O-CD2 3.35Å; L228-H266 VanDerWaalsContact O-CD2 3.23Å; L264-H266 HydrophobicContact CD1-CB 3.58Å; L264-H266 HydrophobicContact CG-CB 3.86Å; L264-H266 PolarHBondContact O-N 2.92Å; H266-V268 PolarHBondContact ND1-N 3Å; H266-V268 PolarHBondContact ND1-O 2.78Å; H266-V268 VanDerWaalsContact ND1-O 3.12Å; H266-K269 WeakPolarHBondContact O-CE 3.44Å; H266-K269 PolarHBondContact O-NZ 2.99Å; H266-Y296 HydrophobicContact CB-CE2 4.41Å
267Q69.8Low80.5Confident165 Ų16561.5 Ų61.577%0.77130%0.302SS*.SBendtrans-72.2-44.4179.6-70.3-177.1-11.800112
268V76.6Confident79.7Confident59 Ų5957.2 Ų57.236%0.35828%0.283SS..SBendtrans-79.9121.2173.6-1740000108.3H266 D272 L273 Y296H266-V268 PolarHBondContact ND1-N 3Å; H266-V268 PolarHBondContact ND1-O 2.78Å; H266-V268 VanDerWaalsContact ND1-O 3.12Å; V268-D272 HydrophobicContact CG1-CB 4.32Å; V268-L273 HydrophobicContact CG1-CD2 3.67Å; V268-L273 HydrophobicContact CG1-CG 4.16Å; V268-Y296 PolarHBondContact O-OH 3.47Å
269K80.2Confident78.5Confident69 Ų6962.5 Ų62.530%0.331%0.312SS..  trans-91.1156.4176.3-59.6-53.3-170.2-166.40110L264 H266 E271 D272L264-K269 HydrophobicContact CD2-CD 4.22Å; L264-K269 PolarHBondContact O-NZ 2.96Å; H266-K269 WeakPolarHBondContact O-CE 3.44Å; H266-K269 PolarHBondContact O-NZ 2.99Å; K269-E271 WeakPolarHBondContact CB-OE2 3.32Å; K269-E271 PolarHBondContact O-N 2.83Å; K269-E271 VanDerWaalsContact O-N 3.17Å; K269-D272 WeakPolarHBondContact CB-OD2 3.48Å; K269-D272 PolarHBondContact N-OD2 3.17Å; K269-D272 WeakPolarHBondContact O-CB 3.09Å; K269-D272 PolarHBondContact O-N 2.79Å
270P80.5Confident76.9Confident4 Ų469.2 Ų69.23%0.02635%0.348CS..G310 helixtrans-59.9-30.3-179.6-2235.2000111.7L264 D272 L273 Y299 L300 Y303 F304L264-P270 VanDerWaalsContact CD2-CD 3.4Å; L264-P270 HydrophobicContact CD2-CG 3.71Å; P270-D272 PolarHBondContact O-N 3.39Å; P270-L273 PolarHBondContact O-N 2.84Å; P270-Y299 HydrophobicContact CG-CE1 3.94Å; P270-L300 HydrophobicContact CB-CD2 3.72Å; P270-L300 HydrophobicContact CG-CD2 3.78Å; P270-Y303 HydrophobicContact CB-CD1 3.52Å; P270-Y303 HydrophobicContact CB-CE1 3.54Å; P270-Y303 HydrophobicContact CB-CG 4.35Å; P270-Y303 HydrophobicContact CG-CD1 3.81Å; P270-Y303 HydrophobicContact CG-CE1 3.92Å; P270-Y303 HydrophobicContact CG-CG 4.17Å; P270-F304 HydrophobicContact CB-CE2 3.93Å; P270-F304 HydrophobicContact CB-CZ 3.96Å; P270-F304 WeakPolarHBondContact O-CZ 3.28Å
271E80.5Confident75.3Confident96 Ų9669 Ų6945%0.44935%0.35SS..G310 helixtrans-62-21.9176.3-68.171.1-151.200114.1K269 Y303 R307K269-E271 WeakPolarHBondContact CB-OE2 3.32Å; K269-E271 PolarHBondContact O-N 2.83Å; K269-E271 VanDerWaalsContact O-N 3.17Å; E271-Y303 PolarHBondContact OE1-OH 2.76Å; E271-R307 IonicContact OE1-NH1 3.54Å; E271-R307 PolarHBondContact OE1-NH1 2.98Å
272D79.3Confident73.6Confident113 Ų11374 Ų7460%0.60438%0.377SS*.G310 helixtrans-90.3-2.8-177-51.6-42.2000112.4V268 K269 P270V268-D272 HydrophobicContact CG1-CB 4.32Å; K269-D272 WeakPolarHBondContact CB-OD2 3.48Å; K269-D272 PolarHBondContact N-OD2 3.17Å; K269-D272 WeakPolarHBondContact O-CB 3.09Å; K269-D272 PolarHBondContact O-N 2.79Å; P270-D272 PolarHBondContact O-N 3.39Å
273L77.9Confident71.9Confident55 Ų5574.6 Ų74.629%0.28838%0.38SS..SBendtrans-100.2144.8-173.4-61.9175.9000112.9V268 P270 L275 I278 L300V268-L273 HydrophobicContact CG1-CD2 3.67Å; V268-L273 HydrophobicContact CG1-CG 4.16Å; P270-L273 PolarHBondContact O-N 2.84Å; L273-L275 PolarHBondContact O-N 3.24Å; L273-I278 HydrophobicContact CB-CD1 3.91Å; L273-I278 HydrophobicContact CD1-CD1 3.78Å; L273-L300 HydrophobicContact CD1-CD1 3.42Å; L273-L300 VanDerWaalsContact CD1-CD1 3.42Å; L273-L300 HydrophobicContact CD1-CD2 3.61Å; L273-L300 HydrophobicContact CD1-CG 4.16Å
274D69.6Low70Confident99 Ų9979.6 Ų79.653%0.52941%0.407SS..  trans-74.8116.9165.2-171.9-14.2000110.3K276 N277D274-K276 PolarHBondContact O-N 2.99Å; D274-K276 VanDerWaalsContact O-N 3.1Å; D274-K276 PolarHBondContact OD1-N 3.2Å; D274-K276 VanDerWaalsContact OD1-N 3.14Å; D274-N277 PolarHBondContact O-N 2.99Å
275L67.8Low68.3Low68 Ų6882.5 Ų82.536%0.35643%0.425SS..G310 helixtrans-51.2-32-179-78.9166.2000113.8L273 N277 I278 L279 F304L273-L275 PolarHBondContact O-N 3.24Å; L275-N277 PolarHBondContact O-N 3.05Å; L275-I278 PolarHBondContact O-N 3.31Å; L275-I278 VanDerWaalsContact O-N 3.11Å; L275-L279 PolarHBondContact O-N 3.09Å; L275-F304 HydrophobicContact CD2-CD1 3.36Å; L275-F304 HydrophobicContact CD2-CD2 4.14Å; L275-F304 HydrophobicContact CD2-CE1 3.28Å; L275-F304 HydrophobicContact CD2-CE2 4.11Å; L275-F304 HydrophobicContact CD2-CG 3.8Å; L275-F304 HydrophobicContact CD2-CZ 3.67Å; L275-F304 HydrophobicContact CG-CE1 4.26Å
276K64Low67.1Low156 Ų15684.1 Ų84.168%0.67844%0.44SS*.G310 helixtrans-59.4-32.9-176.8-72.6-177.3179.2177.80112.7D274 I278D274-K276 PolarHBondContact O-N 2.99Å; D274-K276 VanDerWaalsContact O-N 3.1Å; D274-K276 PolarHBondContact OD1-N 3.2Å; D274-K276 VanDerWaalsContact OD1-N 3.14Å; K276-I278 VanDerWaalsContact C-N 3.34Å
277N60.1Low66.2Low125 Ų12586.1 Ų86.167%0.66845%0.452SS*.G310 helixtrans-78.2-19.8-178.6-68.6-23.7000113.2D274 L275D274-N277 PolarHBondContact O-N 2.99Å; L275-N277 PolarHBondContact O-N 3.05Å
278I64.2Low65.9Low13 Ų1382.2 Ų82.27%0.06744%0.439CS..THydrogen-bonded Turntrans-86.7-36-172.7-57.3177.9000111.3L273 L275 K276 N280 V281 L300 F304L273-I278 HydrophobicContact CB-CD1 3.91Å; L273-I278 HydrophobicContact CD1-CD1 3.78Å; L275-I278 PolarHBondContact O-N 3.31Å; L275-I278 VanDerWaalsContact O-N 3.11Å; K276-I278 VanDerWaalsContact C-N 3.34Å; I278-N280 PolarHBondContact O-N 3.22Å; I278-V281 PolarHBondContact O-N 2.94Å; I278-L300 HydrophobicContact CD1-CB 4.4Å; I278-L300 HydrophobicContact CD1-CD1 4.18Å; I278-L300 HydrophobicContact CG1-CD1 4.35Å; I278-L300 HydrophobicContact CG2-CB 3.82Å; I278-F304 HydrophobicContact CD1-CD2 3.83Å; I278-F304 HydrophobicContact CD1-CE2 3.25Å; I278-F304 HydrophobicContact CD1-CZ 4.05Å; I278-F304 HydrophobicContact CG2-CD2 4.2Å
279L60.4Low65.5Low147 Ų14782.9 Ų82.977%0.7744%0.443SS*.THydrogen-bonded Turntrans-67.4-22.8-177.3-67.8171.6000113.3L275L275-L279 PolarHBondContact O-N 3.09Å
280N59.6Low65.3Low141 Ų14179.8 Ų79.875%0.75443%0.43SS*.THydrogen-bonded Turntrans-89.80-177.9-68.3-12.9000113.9I278 D282I278-N280 PolarHBondContact O-N 3.22Å; N280-D282 PolarHBondContact O-N 2.86Å; N280-D282 VanDerWaalsContact O-N 3.14Å
281V60.8Low65.6Low37 Ų3784 Ų8422%0.22445%0.452CS..  trans-73.5111.7178.6-175.60000109.6I278 T283 M297I278-V281 PolarHBondContact O-N 2.94Å; V281-T283 PolarHBondContact O-N 3.11Å; V281-T283 VanDerWaalsContact O-N 3.1Å; V281-M297 HydrophobicContact CB-CB 4.47Å; V281-M297 HydrophobicContact CG1-CB 3.83Å; V281-M297 HydrophobicContact CG1-CG 4.18Å; V281-M297 HydrophobicContact CG2-CB 4.36Å; V281-M297 HydrophobicContact CG2-CG 4.31Å; V281-M297 HydrophobicContact CG2-SD 4.05Å
282D60.2Low65.8Low106 Ų10680.8 Ų80.857%0.56744%0.442SS*.  trans-67.1109.1169.6-168.80.8000109.1N280 N284 V285N280-D282 PolarHBondContact O-N 2.86Å; N280-D282 VanDerWaalsContact O-N 3.14Å; D282-N284 VanDerWaalsContact C-N 3.29Å; D282-N284 VanDerWaalsContact OD1-CB 3.22Å; D282-N284 WeakPolarHBondContact OD1-CB 3.44Å; D282-N284 PolarHBondContact OD1-N 3.17Å; D282-V285 WeakPolarHBondContact O-CG2 3.3Å
283T59.3Low66.1Low12 Ų1281 Ų817%0.07444%0.444CS..  trans-87.60.6175.9550000112.2V281 V285 V298 K301V281-T283 PolarHBondContact O-N 3.11Å; V281-T283 VanDerWaalsContact O-N 3.1Å; T283-V285 PolarHBondContact O-N 3.04Å; T283-V298 HydrophobicContact CG2-CG2 3.97Å; T283-K301 HydrophobicContact CG2-CD 3.67Å; T283-K301 PolarHBondContact OG1-NZ 3.19Å
284N55.7Low66.4Low114 Ų11479.6 Ų79.661%0.6144%0.436SS*.  trans-79.833.4173.2-66.1-30.2000112.1D282 S286D282-N284 VanDerWaalsContact C-N 3.29Å; D282-N284 VanDerWaalsContact OD1-CB 3.22Å; D282-N284 WeakPolarHBondContact OD1-CB 3.44Å; D282-N284 PolarHBondContact OD1-N 3.17Å; N284-S286 PolarHBondContact O-N 2.94Å
285V54.4Low67.3Low63 Ų6375 Ų7538%0.38241%0.412SS..  trans-68.7133.1172.1-171.70000108.3D282 T283 L294D282-V285 WeakPolarHBondContact O-CG2 3.3Å; T283-V285 PolarHBondContact O-N 3.04Å; V285-L294 HydrophobicContact CB-CD1 4.29Å; V285-L294 HydrophobicContact CB-CD2 3.96Å; V285-L294 HydrophobicContact CG1-CD2 4.06Å; V285-L294 HydrophobicContact CG2-CD1 3.87Å; V285-L294 HydrophobicContact CG2-CD2 4.4Å
286S53.4Low68.3Low79 Ų7973 Ų7355%0.55240%0.399SS*.  trans-35.4149.8-179.956.90000115N284 T288N284-S286 PolarHBondContact O-N 2.94Å; S286-T288 PolarHBondContact O-N 3.02Å; S286-T288 PolarHBondContact O-OG1 3.32Å
287L54.9Low69.3Low87 Ų8768.9 Ų68.946%0.45538%0.383SS..SBendtrans-56.336.8-175.3-66.1157.5000117.4L242 Y255L242-L287 HydrophobicContact CD1-CD2 4.04Å; L242-L287 HydrophobicContact CD2-CD2 4.17Å; Y255-L287 HydrophobicContact CD1-CB 4.43Å; Y255-L287 HydrophobicContact CD1-CD2 4.23Å; Y255-L287 HydrophobicContact CE1-CB 4.05Å; Y255-L287 HydrophobicContact CE1-CD1 4.24Å; Y255-L287 HydrophobicContact CE1-CD2 3.93Å; Y255-L287 HydrophobicContact CE1-CG 4.3Å
288T64Low70.5Confident84 Ų8463.2 Ų63.252%0.51535%0.353SS..SBendtrans-101.3166.3179.454.10000111.7S240 S286 Y290S240-T288 PolarHBondContact OG-O 2.88Å; S286-T288 PolarHBondContact O-N 3.02Å; S286-T288 PolarHBondContact O-OG1 3.32Å; T288-Y290 VanDerWaalsContact O-CD1 3.23Å; T288-Y290 WeakPolarHBondContact O-CD1 3.42Å; T288-Y290 PolarHBondContact O-N 3.25Å
289T69Low71.8Confident72 Ų7262.8 Ų62.844%0.44235%0.351SS..PPolyproline II helixtrans-59129.2169.7-57.20000109.2P238P238-T289 HydrophobicContact CB-CG2 3.59Å
290Y76.2Confident73.1Confident5 Ų555.9 Ų55.92%0.0232%0.315CS..PPolyproline II helixtrans-76.2134-175-71.911.4000109.8V239 W241 L242 T288 L294 L295 V298V239-Y290 PolarHBondContact O-N 2.99Å; W241-Y290 HydrophobicContact CB-CD2 4.03Å; W241-Y290 HydrophobicContact CB-CE2 3.84Å; W241-Y290 PolarHBondContact O-OH 3.41Å; L242-Y290 HydrophobicContact CD2-CE1 4.49Å; T288-Y290 VanDerWaalsContact O-CD1 3.23Å; T288-Y290 WeakPolarHBondContact O-CD1 3.42Å; T288-Y290 PolarHBondContact O-N 3.25Å; Y290-L294 HydrophobicContact CD1-CD2 3.54Å; Y290-L294 HydrophobicContact CD1-CG 4.35Å; Y290-L294 HydrophobicContact CD2-CB 4.43Å; Y290-L294 HydrophobicContact CD2-CD2 3.78Å; Y290-L294 HydrophobicContact CD2-CG 3.66Å; Y290-L294 HydrophobicContact CE1-CD2 3.76Å; Y290-L294 HydrophobicContact CE2-CD2 4Å; Y290-L294 HydrophobicContact CE2-CG 3.98Å; Y290-L294 HydrophobicContact CG-CB 4.43Å; Y290-L294 HydrophobicContact CG-CD2 3.54Å; Y290-L294 HydrophobicContact CG-CG 3.87Å; Y290-L295 HydrophobicContact CD2-CD2 3.9Å; Y290-L295 HydrophobicContact CD2-CG 4.4Å; Y290-L295 HydrophobicContact CG-CD2 4.25Å; Y290-V298 HydrophobicContact CD2-CG2 4.24Å; Y290-V298 HydrophobicContact CE2-CG2 3.78Å
291N85.4Confident74.3Confident91 Ų9152.4 Ų52.449%0.48729%0.293SS..PPolyproline II helixtrans-73168.5166.167.635.6000110.6N293 L294 L295N291-N293 VanDerWaalsContact C-N 3.27Å; N291-N293 PolarHBondContact O-N 3.29Å; N291-N293 PolarHBondContact OD1-N 3.01Å; N291-L294 PolarHBondContact O-N 3.49Å; N291-L294 PolarHBondContact OD1-N 3.29Å; N291-L295 PolarHBondContact O-N 3.47Å
292A86.3Confident75.6Confident29 Ų2952.3 Ų52.324%0.2429%0.29CS..Hα-helixtrans-57-38.4-176.600000113.3V232 T234 Y296V232-A292 HydrophobicContact CG1-CB 3.57Å; T234-A292 HydrophobicContact CG2-CB 4.16Å; A292-Y296 WeakPolarHBondContact O-CB 3.03Å; A292-Y296 PolarHBondContact O-N 2.89Å
293N85Confident77.1Confident119 Ų11948.6 Ų48.664%0.63627%0.268SS*.Hα-helixtrans-67.1-45.4-179.6-70.4-15.9000111.6N291 Y296 M297N291-N293 VanDerWaalsContact C-N 3.27Å; N291-N293 PolarHBondContact O-N 3.29Å; N291-N293 PolarHBondContact OD1-N 3.01Å; N293-Y296 WeakPolarHBondContact O-CB 3.46Å; N293-Y296 PolarHBondContact O-N 3.34Å; N293-M297 WeakPolarHBondContact O-CG 3.23Å; N293-M297 PolarHBondContact O-N 2.88Å
294L84.7Confident78.4Confident25 Ų2548.8 Ų48.813%0.13127%0.268CS..Hα-helixtrans-65.4-42.2178.1-17759.3000111.2V285 Y290 N291 Y296 M297 V298V285-L294 HydrophobicContact CB-CD1 4.29Å; V285-L294 HydrophobicContact CB-CD2 3.96Å; V285-L294 HydrophobicContact CG1-CD2 4.06Å; V285-L294 HydrophobicContact CG2-CD1 3.87Å; V285-L294 HydrophobicContact CG2-CD2 4.4Å; Y290-L294 HydrophobicContact CD1-CD2 3.54Å; Y290-L294 HydrophobicContact CD1-CG 4.35Å; Y290-L294 HydrophobicContact CD2-CB 4.43Å; Y290-L294 HydrophobicContact CD2-CD2 3.78Å; Y290-L294 HydrophobicContact CD2-CG 3.66Å; Y290-L294 HydrophobicContact CE1-CD2 3.76Å; Y290-L294 HydrophobicContact CE2-CD2 4Å; Y290-L294 HydrophobicContact CE2-CG 3.98Å; Y290-L294 HydrophobicContact CG-CB 4.43Å; Y290-L294 HydrophobicContact CG-CD2 3.54Å; Y290-L294 HydrophobicContact CG-CG 3.87Å; N291-L294 PolarHBondContact O-N 3.49Å; N291-L294 PolarHBondContact OD1-N 3.29Å; L294-Y296 VanDerWaalsContact C-N 3.31Å; L294-Y296 PolarHBondContact O-N 3.41Å; L294-M297 PolarHBondContact O-N 3.36Å; L294-V298 HydrophobicContact CD1-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 2.82Å
295L88.3Confident79.9Confident3 Ų345.1 Ų45.12%0.01625%0.247CC..Hα-helixtrans-59.6-41.4173.3-73.3170.4000112.1I226 L228 T234 V239 W241 Y290 N291 V298 Y299I226-L295 HydrophobicContact CG2-CD1 4.14Å; L228-L295 HydrophobicContact CD2-CB 3.51Å; L228-L295 HydrophobicContact CD2-CD1 4.23Å; L228-L295 HydrophobicContact CD2-CG 4.48Å; T234-L295 HydrophobicContact CG2-CD1 4.29Å; V239-L295 HydrophobicContact CG2-CD1 4.03Å; V239-L295 HydrophobicContact CG2-CD2 3.91Å; W241-L295 HydrophobicContact CB-CD2 4.32Å; W241-L295 HydrophobicContact CE3-CD2 4.32Å; Y290-L295 HydrophobicContact CD2-CD2 3.9Å; Y290-L295 HydrophobicContact CD2-CG 4.4Å; Y290-L295 HydrophobicContact CG-CD2 4.25Å; N291-L295 PolarHBondContact O-N 3.47Å; L295-V298 PolarHBondContact O-N 2.98Å; L295-Y299 WeakPolarHBondContact O-CB 3.38Å; L295-Y299 PolarHBondContact O-N 2.73Å
296Y88.6Confident81.7Confident24 Ų2442.3 Ų42.39%0.09423%0.229CC..Hα-helixtrans-63-44.2176.6176.8-114.9000112.1L264 H266 V268 A292 N293 L294 V298 Y299 L300L264-Y296 HydrophobicContact CD1-CD2 3.55Å; L264-Y296 HydrophobicContact CD1-CE2 3.53Å; H266-Y296 HydrophobicContact CB-CE2 4.41Å; V268-Y296 PolarHBondContact O-OH 3.47Å; A292-Y296 WeakPolarHBondContact O-CB 3.03Å; A292-Y296 PolarHBondContact O-N 2.89Å; N293-Y296 WeakPolarHBondContact O-CB 3.46Å; N293-Y296 PolarHBondContact O-N 3.34Å; L294-Y296 VanDerWaalsContact C-N 3.31Å; L294-Y296 PolarHBondContact O-N 3.41Å; Y296-V298 PolarHBondContact O-N 2.93Å; Y296-Y299 WeakPolarHBondContact O-CB 3.24Å; Y296-Y299 PolarHBondContact O-N 3.44Å; Y296-L300 HydrophobicContact CD1-CD1 4.12Å; Y296-L300 HydrophobicContact CD2-CG 4.46Å; Y296-L300 HydrophobicContact CE1-CD1 3.64Å; Y296-L300 HydrophobicContact CE1-CG 4.32Å; Y296-L300 HydrophobicContact CE2-CD1 4.29Å; Y296-L300 HydrophobicContact CE2-CD2 4.07Å; Y296-L300 HydrophobicContact CE2-CG 4.11Å; Y296-L300 WeakPolarHBondContact O-CG 3.41Å; Y296-L300 PolarHBondContact O-N 2.94Å
297M85Confident83.4Confident71 Ų7143.7 Ų43.735%0.3522%0.222SC..Hα-helixtrans-64.5-41.5177.3-64.8-56.7-18000112.6V281 N293 L294 Y299 L300 K301V281-M297 HydrophobicContact CB-CB 4.47Å; V281-M297 HydrophobicContact CG1-CB 3.83Å; V281-M297 HydrophobicContact CG1-CG 4.18Å; V281-M297 HydrophobicContact CG2-CB 4.36Å; V281-M297 HydrophobicContact CG2-CG 4.31Å; V281-M297 HydrophobicContact CG2-SD 4.05Å; N293-M297 WeakPolarHBondContact O-CG 3.23Å; N293-M297 PolarHBondContact O-N 2.88Å; L294-M297 PolarHBondContact O-N 3.36Å; M297-Y299 VanDerWaalsContact C-N 3.34Å; M297-L300 PolarHBondContact O-N 2.02Å; M297-L300 HydrophobicContact SD-CD1 4.2Å; M297-K301 PolarHBondContact O-N 3.48Å
298V85.9Confident84.9Confident6 Ų645.3 Ų45.34%0.03623%0.227CC..Hα-helixtrans-64.2-42.1175.31790000110.3W241 T283 Y290 L294 L295 Y296 L300 K301 E302W241-V298 HydrophobicContact CB-CG1 4.19Å; W241-V298 HydrophobicContact CD2-CB 4.38Å; W241-V298 HydrophobicContact CD2-CG1 3.48Å; W241-V298 VanDerWaalsContact CD2-CG1 3.48Å; W241-V298 HydrophobicContact CE3-CB 3.98Å; W241-V298 HydrophobicContact CE3-CG1 3.54Å; W241-V298 HydrophobicContact CG-CG1 3.76Å; W241-V298 HydrophobicContact CZ3-CB 4.42Å; W241-V298 HydrophobicContact CZ3-CG1 4.08Å; T283-V298 HydrophobicContact CG2-CG2 3.97Å; Y290-V298 HydrophobicContact CD2-CG2 4.24Å; Y290-V298 HydrophobicContact CE2-CG2 3.78Å; L294-V298 HydrophobicContact CD1-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.45Å; L294-V298 PolarHBondContact O-N 2.82Å; L295-V298 PolarHBondContact O-N 2.98Å; Y296-V298 PolarHBondContact O-N 2.93Å; V298-L300 VanDerWaalsContact C-N 3.34Å; V298-L300 PolarHBondContact O-N 3.03Å; V298-K301 PolarHBondContact O-N 2.98Å; V298-E302 HydrophobicContact CG1-CG 4.41Å; V298-E302 WeakPolarHBondContact O-CG 2.95Å; V298-E302 PolarHBondContact O-N 3.18Å
299Y90.5Very high86.1Confident4 Ų441.6 Ų41.62%0.01620%0.204CC..Hα-helixtrans-55.7-48.1173.5173.8-83000111.5C126 L128 L228 V262 L264 P270 L295 Y296 M297 K301 E302 Y303C126-Y299 PolarHBondContact O-OH 3.44Å; L128-Y299 HydrophobicContact CB-CD2 4.26Å; L128-Y299 HydrophobicContact CB-CE2 3.69Å; L128-Y299 HydrophobicContact CD2-CD2 4.44Å; L128-Y299 HydrophobicContact CD2-CE2 4.44Å; L228-Y299 HydrophobicContact CD1-CD2 4Å; L228-Y299 HydrophobicContact CD1-CG 3.82Å; V262-Y299 HydrophobicContact CB-CD2 4.01Å; V262-Y299 HydrophobicContact CG1-CD2 3.65Å; V262-Y299 HydrophobicContact CG1-CE2 4.39Å; V262-Y299 HydrophobicContact CG1-CG 4.47Å; L264-Y299 HydrophobicContact CB-CD1 4.47Å; L264-Y299 HydrophobicContact CB-CE1 3.82Å; L264-Y299 HydrophobicContact CB-CE2 3.94Å; L264-Y299 VanDerWaalsContact CB-CZ 3.49Å; L264-Y299 WeakPolarHBondContact CB-OH 3.28Å; L264-Y299 HydrophobicContact CD1-CD1 3.93Å; L264-Y299 HydrophobicContact CD1-CE1 3.97Å; L264-Y299 HydrophobicContact CD1-CG 4.46Å; L264-Y299 HydrophobicContact CD2-CD1 4.36Å; L264-Y299 HydrophobicContact CD2-CE1 3.66Å; L264-Y299 HydrophobicContact CG-CD1 4.48Å; L264-Y299 HydrophobicContact CG-CE1 4.01Å; P270-Y299 HydrophobicContact CG-CE1 3.94Å; L295-Y299 WeakPolarHBondContact O-CB 3.38Å; L295-Y299 PolarHBondContact O-N 2.73Å; Y296-Y299 WeakPolarHBondContact O-CB 3.24Å; Y296-Y299 PolarHBondContact O-N 3.44Å; M297-Y299 VanDerWaalsContact C-N 3.34Å; Y299-K301 VanDerWaalsContact C-N 3.34Å; Y299-K301 PolarHBondContact O-N 3.32Å; Y299-E302 PolarHBondContact O-N 3.04Å; Y299-Y303 HydrophobicContact CE1-CD2 4.3Å; Y299-Y303 HydrophobicContact CE1-CG 4.22Å; Y299-Y303 WeakPolarHBondContact O-CB 3.39Å; Y299-Y303 PolarHBondContact O-N 3.31Å
300L88.2Confident87.2Confident2 Ų241 Ų411%0.0120%0.203CC..Hα-helixtrans-59.4-47.8179.7-70.4175.9000110.8P270 L273 I278 Y296 M297 V298 E302 Y303 F304P270-L300 HydrophobicContact CB-CD2 3.72Å; P270-L300 HydrophobicContact CG-CD2 3.78Å; L273-L300 HydrophobicContact CD1-CD1 3.42Å; L273-L300 VanDerWaalsContact CD1-CD1 3.42Å; L273-L300 HydrophobicContact CD1-CD2 3.61Å; L273-L300 HydrophobicContact CD1-CG 4.16Å; I278-L300 HydrophobicContact CD1-CB 4.4Å; I278-L300 HydrophobicContact CD1-CD1 4.18Å; I278-L300 HydrophobicContact CG1-CD1 4.35Å; I278-L300 HydrophobicContact CG2-CB 3.82Å; Y296-L300 HydrophobicContact CD1-CD1 4.12Å; Y296-L300 HydrophobicContact CD2-CG 4.46Å; Y296-L300 HydrophobicContact CE1-CD1 3.64Å; Y296-L300 HydrophobicContact CE1-CG 4.32Å; Y296-L300 HydrophobicContact CE2-CD1 4.29Å; Y296-L300 HydrophobicContact CE2-CD2 4.07Å; Y296-L300 HydrophobicContact CE2-CG 4.11Å; Y296-L300 WeakPolarHBondContact O-CG 3.41Å; Y296-L300 PolarHBondContact O-N 2.94Å; M297-L300 PolarHBondContact O-N 2.02Å; M297-L300 HydrophobicContact SD-CD1 4.2Å; V298-L300 VanDerWaalsContact C-N 3.34Å; V298-L300 PolarHBondContact O-N 3.03Å; L300-E302 PolarHBondContact O-N 3.05Å; L300-Y303 PolarHBondContact O-N 2.8Å; L300-F304 HydrophobicContact CD2-CE2 4.42Å; L300-F304 WeakPolarHBondContact O-CD2 3.24Å; L300-F304 PolarHBondContact O-N 2.99Å
301K85.3Confident87.9Confident67 Ų6743.1 Ų43.129%0.29121%0.213SC..Hα-helixtrans-55.7-51.6176.8-173.9177.6-179.4168.80111.3T283 M297 V298 Y299 F304 K305T283-K301 HydrophobicContact CG2-CD 3.67Å; T283-K301 PolarHBondContact OG1-NZ 3.19Å; M297-K301 PolarHBondContact O-N 3.48Å; V298-K301 PolarHBondContact O-N 2.98Å; Y299-K301 VanDerWaalsContact C-N 3.34Å; Y299-K301 PolarHBondContact O-N 3.32Å; K301-F304 PolarHBondContact O-N 3.07Å; K301-K305 WeakPolarHBondContact O-CG 2.93Å; K301-K305 PolarHBondContact O-N 2.99Å
302E87.6Confident88.2Confident36 Ų3646.9 Ų46.917%0.16823%0.225CC..Hα-helixtrans-63.7-43.8178.5-67.4-56.7134.800112.3L128 W241 V298 Y299 L300 F304 K305 Y306L128-E302 HydrophobicContact CD2-CB 3.55Å; W241-E302 HydrophobicContact CH2-CB 4.33Å; W241-E302 HydrophobicContact CH2-CG 4.18Å; W241-E302 HydrophobicContact CZ2-CB 4.2Å; W241-E302 HydrophobicContact CZ2-CG 3.71Å; V298-E302 HydrophobicContact CG1-CG 4.41Å; V298-E302 WeakPolarHBondContact O-CG 2.95Å; V298-E302 PolarHBondContact O-N 3.18Å; Y299-E302 PolarHBondContact O-N 3.04Å; L300-E302 PolarHBondContact O-N 3.05Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 3.42Å; E302-K305 WeakPolarHBondContact O-CB 3.5Å; E302-K305 PolarHBondContact O-N 3.17Å; E302-K305 WeakPolarHBondContact OE1-CE 3.35Å; E302-K305 IonicContact OE1-NZ 2.98Å; E302-K305 PolarHBondContact OE1-NZ 2.97Å; E302-K305 IonicContact OE2-NZ 3.25Å; E302-Y306 WeakPolarHBondContact O-CD2 3.49Å; E302-Y306 PolarHBondContact O-N 2.64Å
303Y90.7Very high88.5Confident27 Ų2745.7 Ų45.711%0.10622%0.215CC..Hα-helixtrans-56.1-47.9177.6177.9-97.7000111.7A3 P270 E271 Y299 L300 K305 Y306 R307A3-Y303 HydrophobicContact CB-CD2 3.93Å; A3-Y303 HydrophobicContact CB-CE2 3.58Å; P270-Y303 HydrophobicContact CB-CD1 3.52Å; P270-Y303 HydrophobicContact CB-CE1 3.54Å; P270-Y303 HydrophobicContact CB-CG 4.35Å; P270-Y303 HydrophobicContact CG-CD1 3.81Å; P270-Y303 HydrophobicContact CG-CE1 3.92Å; P270-Y303 HydrophobicContact CG-CG 4.17Å; E271-Y303 PolarHBondContact OE1-OH 2.76Å; Y299-Y303 HydrophobicContact CE1-CD2 4.3Å; Y299-Y303 HydrophobicContact CE1-CG 4.22Å; Y299-Y303 WeakPolarHBondContact O-CB 3.39Å; Y299-Y303 PolarHBondContact O-N 3.31Å; L300-Y303 PolarHBondContact O-N 2.8Å; Y303-K305 VanDerWaalsContact C-N 3.35Å; Y303-K305 PolarHBondContact O-N 3.35Å; Y303-Y306 PolarHBondContact O-N 2.87Å; Y303-R307 HydrophobicContact CE1-CB 4.48Å; Y303-R307 WeakPolarHBondContact O-CB 3.4Å; Y303-R307 PolarHBondContact O-N 2.88Å; Y303-R307 PolarHBondContact OH-NH1 2.93Å
304F88.3Confident88.8Confident17 Ų1740.1 Ų40.18%0.07519%0.185CC..Hα-helixtrans-67.8-32.6-179.6-80.3-67.7000112.8P270 L275 I278 L300 K301 E302 Y306 R307 H308P270-F304 HydrophobicContact CB-CE2 3.93Å; P270-F304 HydrophobicContact CB-CZ 3.96Å; P270-F304 WeakPolarHBondContact O-CZ 3.28Å; L275-F304 HydrophobicContact CD2-CD1 3.36Å; L275-F304 HydrophobicContact CD2-CD2 4.14Å; L275-F304 HydrophobicContact CD2-CE1 3.28Å; L275-F304 HydrophobicContact CD2-CE2 4.11Å; L275-F304 HydrophobicContact CD2-CG 3.8Å; L275-F304 HydrophobicContact CD2-CZ 3.67Å; L275-F304 HydrophobicContact CG-CE1 4.26Å; I278-F304 HydrophobicContact CD1-CD2 3.83Å; I278-F304 HydrophobicContact CD1-CE2 3.25Å; I278-F304 HydrophobicContact CD1-CZ 4.05Å; I278-F304 HydrophobicContact CG2-CD2 4.2Å; L300-F304 HydrophobicContact CD2-CE2 4.42Å; L300-F304 WeakPolarHBondContact O-CD2 3.24Å; L300-F304 PolarHBondContact O-N 2.99Å; K301-F304 PolarHBondContact O-N 3.07Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 3.42Å; F304-Y306 VanDerWaalsContact C-N 3.34Å; F304-Y306 PolarHBondContact O-N 3.19Å; F304-R307 HydrophobicContact CD1-CB 4.44Å; F304-R307 PolarHBondContact O-N 3.24Å; F304-H308 AromaticContact CD1-NE2 3.66Å; F304-H308 PolarHBondContact O-CD2 2.92Å; F304-H308 PolarHBondContact O-N 2.81Å
305K86.7Confident89.1Confident36 Ų3643.1 Ų43.116%0.15720%0.195CC..Hα-helixtrans-55.5-49.6170.4-66.5173.6-166.4-172.20111.3D26 F27 K301 E302 Y303 I309D26-K305 HydrophobicContact CB-CD 3.88Å; D26-K305 WeakPolarHBondContact OD2-CE 3.45Å; D26-K305 IonicContact OD2-NZ 3.21Å; D26-K305 PolarHBondContact OD2-NZ 3.41Å; F27-K305 HydrophobicContact CE2-CB 3.76Å; F27-K305 HydrophobicContact CZ-CB 3.57Å; K301-K305 WeakPolarHBondContact O-CG 2.93Å; K301-K305 PolarHBondContact O-N 2.99Å; E302-K305 WeakPolarHBondContact O-CB 3.5Å; E302-K305 PolarHBondContact O-N 3.17Å; E302-K305 WeakPolarHBondContact OE1-CE 3.35Å; E302-K305 IonicContact OE1-NZ 2.98Å; E302-K305 PolarHBondContact OE1-NZ 2.97Å; E302-K305 IonicContact OE2-NZ 3.25Å; Y303-K305 VanDerWaalsContact C-N 3.35Å; Y303-K305 PolarHBondContact O-N 3.35Å; K305-I309 WeakPolarHBondContact O-CG2 3.42Å; K305-I309 PolarHBondContact O-N 2.73Å; K305-I309 VanDerWaalsContact O-N 3.16Å
306Y91.2Very high89.1Confident4 Ų445.1 Ų45.12%0.01620%0.204CC..Hα-helixtrans-70.4-33.9178.7-68.5-69.6000113K6 Y10 F27 L128 E302 Y303 F304 I309K6-Y306 HydrophobicContact CB-CD1 3.93Å; K6-Y306 WeakPolarHBondContact CD-O 3.41Å; K6-Y306 PolarHBondContact NZ-O 2.98Å; Y10-Y306 HydrophobicContact CD1-CE1 4.42Å; Y10-Y306 VanDerWaalsContact CD1-OH 3.28Å; Y10-Y306 WeakPolarHBondContact CD1-OH 3.46Å; Y10-Y306 HydrophobicContact CG-CE1 4.1Å; F27-Y306 AromaticContact CE1-CD1 3.93Å; F27-Y306 HydrophobicContact CE1-CD1 3.93Å; F27-Y306 AromaticContact CE1-CE1 3.52Å; F27-Y306 HydrophobicContact CE1-CE1 3.52Å; F27-Y306 AromaticContact CE1-CZ 3.94Å; F27-Y306 AromaticContact CZ-CD1 3.93Å; F27-Y306 HydrophobicContact CZ-CD1 3.93Å; F27-Y306 HydrophobicContact CZ-CE1 4.01Å; F27-Y306 HydrophobicContact CZ-CG 4.37Å; L128-Y306 HydrophobicContact CD1-CD2 3.6Å; L128-Y306 HydrophobicContact CD1-CE2 4Å; L128-Y306 HydrophobicContact CD1-CG 4.39Å; L128-Y306 HydrophobicContact CD2-CD2 4.31Å; L128-Y306 HydrophobicContact CD2-CE2 4.34Å; L128-Y306 HydrophobicContact CG-CD2 4.37Å; L128-Y306 HydrophobicContact CG-CE2 4.37Å; E302-Y306 WeakPolarHBondContact O-CD2 3.49Å; E302-Y306 PolarHBondContact O-N 2.64Å; Y303-Y306 PolarHBondContact O-N 2.87Å; F304-Y306 VanDerWaalsContact C-N 3.34Å; F304-Y306 PolarHBondContact O-N 3.19Å; Y306-I309 WeakPolarHBondContact O-CG2 3.33Å
307R89.5Confident89.1Confident109 Ų10946.2 Ų46.241%0.41121%0.21SC..Hα-helixtrans-62-45.1176.2-172.7-178.2178.992.1-4.3111.5K6 E271 Y303 F304K6-R307 PolarHBondContact NZ-O 3.28Å; E271-R307 IonicContact OE1-NH1 3.54Å; E271-R307 PolarHBondContact OE1-NH1 2.98Å; Y303-R307 HydrophobicContact CE1-CB 4.48Å; Y303-R307 WeakPolarHBondContact O-CB 3.4Å; Y303-R307 PolarHBondContact O-N 2.88Å; Y303-R307 PolarHBondContact OH-NH1 2.93Å; F304-R307 HydrophobicContact CD1-CB 4.44Å; F304-R307 PolarHBondContact O-N 3.24Å
308H87.1Confident89.4Confident120 Ų12044.8 Ų44.856%0.55620%0.202SC*.Hα-helixtrans-83.5-26.8-173.2-69.2-60.3000114.4F304F304-H308 AromaticContact CD1-NE2 3.66Å; F304-H308 PolarHBondContact O-CD2 2.92Å; F304-H308 PolarHBondContact O-N 2.81Å
309I88.8Confident89.6Confident6 Ų647.1 Ų47.13%0.03121%0.212CC..SBendtrans-66.1137.2178.4-169.962.8000111.2K6 F15 C22 L24 F27 K305 Y306 C313 F314K6-I309 HydrophobicContact CD-CG2 4.1Å; K6-I309 VanDerWaalsContact CE-O 3.3Å; K6-I309 WeakPolarHBondContact CE-O 3.42Å; K6-I309 PolarHBondContact NZ-O 2.87Å; F15-I309 HydrophobicContact CE2-CD1 4.34Å; F15-I309 HydrophobicContact CE2-CG1 3.93Å; F15-I309 HydrophobicContact CZ-CD1 4.37Å; F15-I309 HydrophobicContact CZ-CG1 4.38Å; C22-I309 WeakPolarHBondContact O-CD1 3.25Å; L24-I309 HydrophobicContact CD1-CD1 4Å; L24-I309 HydrophobicContact CG-CD1 4.33Å; F27-I309 HydrophobicContact CE2-CB 4Å; F27-I309 HydrophobicContact CE2-CG1 4.34Å; F27-I309 HydrophobicContact CE2-CG2 4.2Å; F27-I309 HydrophobicContact CZ-CB 4.48Å; F27-I309 HydrophobicContact CZ-CG2 4.18Å; K305-I309 WeakPolarHBondContact O-CG2 3.42Å; K305-I309 PolarHBondContact O-N 2.73Å; K305-I309 VanDerWaalsContact O-N 3.16Å; Y306-I309 WeakPolarHBondContact O-CG2 3.33Å; I309-C313 HydrophobicContact CD1-CB 4.25Å; I309-C313 HydrophobicContact CG1-CB 4.07Å; I309-F314 HydrophobicContact CG1-CE2 4.24Å; I309-F314 HydrophobicContact CG2-CE2 3.8Å; I309-F314 HydrophobicContact CG2-CZ 3.91Å
310S91.4Very high89.5Confident59 Ų5949.8 Ų49.841%0.41322%0.224SC..  trans-65.5139.9-178.8-177.10000111.6K312 C313S310-K312 PolarHBondContact O-N 3.3Å; S310-K312 PolarHBondContact OG-N 3.48Å; S310-C313 VanDerWaalsContact O-CB 3.23Å; S310-C313 WeakPolarHBondContact O-CB 3.38Å; S310-C313 PolarHBondContact O-N 2.99Å
311Q91.8Very high89.6Confident50 Ų5053 Ų5323%0.23424%0.238CC..G310 helixtrans-55.2-34170.3-73.7175-14.100111.6D2 W71 C313 F314D2-Q311 PolarHBondContact OD1-NE2 3.14Å; W71-Q311 VanDerWaalsContact CD1-O 3.29Å; W71-Q311 HydrophobicContact CD2-CB 4.09Å; W71-Q311 HydrophobicContact CD2-CG 4.11Å; W71-Q311 HydrophobicContact CE3-CG 4.45Å; W71-Q311 HydrophobicContact CG-CB 4.05Å; W71-Q311 HydrophobicContact CG-CG 4.49Å; W71-Q311 HydrophobicContact CZ2-CB 4.49Å; W71-Q311 HydrophobicContact CZ2-CG 4.32Å; W71-Q311 PolarHBondContact NE1-O 3.33Å; Q311-C313 PolarHBondContact O-N 3.4Å; Q311-F314 PolarHBondContact O-N 2.65Å
312K91.2Very high89.9Confident171 Ų17152 Ų5274%0.74324%0.235SC*.G310 helixtrans-60.4-11.4177.4-62.3-174.6178.5-177.20114.1S310 F314S310-K312 PolarHBondContact O-N 3.3Å; S310-K312 PolarHBondContact OG-N 3.48Å; K312-F314 VanDerWaalsContact C-N 3.3Å
313C92.2Very high90.1Very high4 Ų453.2 Ų53.23%0.02724%0.24CC..G310 helixtrans-83.8-3.9175.4-62.80000114.3F15 R16 C22 I309 S310 Q311F15-C313 CarbonylContact C-O 3.59Å; F15-C313 WeakPolarHBondContact CA-O 3.36Å; F15-C313 HydrophobicContact CD2-CB 4.17Å; F15-C313 VanDerWaalsContact CD2-O 3.31Å; F15-C313 WeakPolarHBondContact CD2-O 3.47Å; F15-C313 HydrophobicContact CE2-CB 3.65Å; F15-C313 HydrophobicContact CZ-CB 4.44Å; R16-C313 PolarHBondContact N-O 3.1Å; C22-C313 WeakPolarHBondContact CA-SG 3.22Å; C22-C313 HydrophobicContact CB-CB 3.51Å; C22-C313 WeakPolarHBondContact CB-SG 2.78Å; C22-C313 WeakPolarHBondContact SG-CA 3.1Å; C22-C313 WeakPolarHBondContact SG-CB 3.47Å; C22-C313 CovalentContact SG-SG 2.04Å; C22-C313 PolarHBondContact SG-SG 3.25Å; I309-C313 HydrophobicContact CD1-CB 4.25Å; I309-C313 HydrophobicContact CG1-CB 4.07Å; S310-C313 VanDerWaalsContact O-CB 3.23Å; S310-C313 WeakPolarHBondContact O-CB 3.38Å; S310-C313 PolarHBondContact O-N 2.99Å; Q311-C313 PolarHBondContact O-N 3.4Å
314F92.1Very high90Very high2 Ų255.4 Ų55.41%0.00925%0.251CS..BIsolated β-bridgetrans-114.4165176.8-54.8-95000111K6 L9 R14 F15 W71 L73 I309 Q311 K312K6-F314 HydrophobicContact CB-CE1 4.21Å; K6-F314 HydrophobicContact CB-CE2 4.04Å; K6-F314 HydrophobicContact CB-CZ 3.76Å; K6-F314 HydrophobicContact CD-CE2 4.04Å; K6-F314 HydrophobicContact CD-CZ 4.46Å; K6-F314 HydrophobicContact CG-CD2 4.14Å; K6-F314 HydrophobicContact CG-CE2 3.71Å; K6-F314 HydrophobicContact CG-CZ 3.99Å; K6-F314 WeakPolarHBondContact O-CE1 3.04Å; L9-F314 HydrophobicContact CB-CB 4.44Å; L9-F314 HydrophobicContact CB-CD1 3.57Å; L9-F314 HydrophobicContact CB-CE1 4.22Å; L9-F314 HydrophobicContact CB-CG 4.31Å; L9-F314 HydrophobicContact CD1-CB 3.87Å; L9-F314 HydrophobicContact CD1-CD1 4.26Å; L9-F314 HydrophobicContact CD1-CG 4.19Å; R14-F314 WeakPolarHBondContact O-CA 3.31Å; R14-F314 WeakPolarHBondContact O-CB 3.26Å; R14-F314 WeakPolarHBondContact O-CD1 3Å; F15-F314 HydrophobicContact CB-CD1 4.44Å; F15-F314 HydrophobicContact CB-CE1 4.47Å; F15-F314 AromaticContact CD2-CD1 3.89Å; F15-F314 HydrophobicContact CD2-CD1 3.89Å; F15-F314 AromaticContact CD2-CE1 3.56Å; F15-F314 HydrophobicContact CD2-CE1 3.56Å; F15-F314 HydrophobicContact CD2-CE2 4.26Å; F15-F314 HydrophobicContact CD2-CG 4.4Å; F15-F314 AromaticContact CD2-CZ 3.75Å; F15-F314 HydrophobicContact CD2-CZ 3.75Å; F15-F314 HydrophobicContact CE2-CE1 4.26Å; F15-F314 HydrophobicContact CE2-CE2 4.32Å; F15-F314 AromaticContact CE2-CZ 3.97Å; F15-F314 HydrophobicContact CE2-CZ 3.97Å; F15-F314 HydrophobicContact CG-CE1 4.43Å; W71-F314 HydrophobicContact CZ2-CB 3.9Å; W71-F314 AromaticContact CZ2-CD2 3.96Å; W71-F314 HydrophobicContact CZ2-CD2 3.96Å; W71-F314 HydrophobicContact CZ2-CG 4.01Å; L73-F314 HydrophobicContact CD2-CB 4.23Å; I309-F314 HydrophobicContact CG1-CE2 4.24Å; I309-F314 HydrophobicContact CG2-CE2 3.8Å; I309-F314 HydrophobicContact CG2-CZ 3.91Å; Q311-F314 PolarHBondContact O-N 2.65Å; K312-F314 VanDerWaalsContact C-N 3.3Å
315Y90Very high90.2Very high87 Ų8758.9 Ų58.934%0.34127%0.267SS..  trans-151.30179.767.3-92.2000114.7K13 R14 R16 I74K13-Y315 PolarHBondContact O-OH 3.35Å; R14-Y315 VanDerWaalsContact CB-O 3.26Å; R14-Y315 WeakPolarHBondContact CB-O 3.42Å; R14-Y315 HydrophobicContact CG-CE2 4.47Å; R14-Y315 WeakPolarHBondContact CG-O 3.3Å; R14-Y315 PolarHBondContact NH1-O 3.1Å; R14-Y315 VanDerWaalsContact NH1-O 3.1Å; R14-Y315 PolarHBondContact O-N 3.36Å; R16-Y315 HydrophobicContact CG-CD1 3.79Å; R16-Y315 HydrophobicContact CG-CE1 4.35Å; I74-Y315 WeakPolarHBondContact CB-OXT 3Å; I74-Y315 PolarHBondContact N-OXT 3.45Å

Retrieved 315 of 315 residues in 399.9 ms (Link to these results)

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