A0A077ZEN7_TRITR Loading...

Phosphoribulose isomerase

AlphaFold DB , UniProt , Accession A0A077ZEN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,120 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
1M92.4Very high94Very high30 Ų3068.7 Ų68.715%0.14840%0.395CS..  0-62.20-71.3178.773.800111.3E3 L4 W5 F39 P47 A51 Y115M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.17Å; M1-L4 WeakPolarHBondContact O-CB 3.19Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-W5 PolarHBondContact O-N 2.66Å; M1-F39 HydrophobicContact CE-CB 4.24Å; M1-F39 HydrophobicContact CE-CD1 4.11Å; M1-F39 HydrophobicContact CG-CD1 4.05Å; M1-F39 HydrophobicContact CG-CE1 4.34Å; M1-F39 HydrophobicContact SD-CD1 4.28Å; M1-P47 HydrophobicContact CB-CB 4.34Å; M1-P47 HydrophobicContact CE-CB 3.97Å; M1-P47 HydrophobicContact CE-CG 4.45Å; M1-P47 HydrophobicContact SD-CB 4.14Å; M1-A51 HydrophobicContact CG-CB 3.67Å; M1-A51 HydrophobicContact SD-CB 3.93Å; M1-Y115 HydrophobicContact CB-CE1 4.04Å; M1-Y115 HydrophobicContact CE-CD1 4.21Å; M1-Y115 HydrophobicContact CE-CD2 3.39Å; M1-Y115 HydrophobicContact CE-CE1 4.1Å; M1-Y115 HydrophobicContact CE-CE2 3.27Å; M1-Y115 HydrophobicContact CE-CG 3.88Å; M1-Y115 HydrophobicContact CG-CE1 4.33Å
2A90.3Very high94.1Very high65 Ų6565.8 Ų65.854%0.53738%0.377SS..Hα-helixtrans-56.3-43.3176.400000113.3W5 Q6A2-W5 PolarHBondContact O-N 3.48Å; A2-Q6 WeakPolarHBondContact O-CG 3.39Å; A2-Q6 PolarHBondContact O-N 2.91Å
3E92.8Very high94.1Very high148 Ų14870.8 Ų70.869%0.69239%0.386SS*.Hα-helixtrans-61.7-47.9174.7-175.8177.8-169.500112.4M1 W5 Q6 C7M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.17Å; E3-W5 VanDerWaalsContact C-N 3.25Å; E3-W5 PolarHBondContact O-N 2.88Å; E3-Q6 WeakPolarHBondContact O-CB 3.46Å; E3-Q6 PolarHBondContact O-N 3.32Å; E3-Q6 VanDerWaalsContact O-N 3.08Å; E3-C7 PolarHBondContact O-N 3.17Å; E3-C7 PolarHBondContact O-SG 2.78Å; E3-C7 VanDerWaalsContact O-SG 3.41Å
4L93.7Very high93.9Very high64 Ų6469.9 Ų69.934%0.33539%0.392SS..Hα-helixtrans-53.4-44174.4173.965.6000111.6M1 C7 C8 F39 T112 Y115 L116M1-L4 WeakPolarHBondContact O-CB 3.19Å; M1-L4 PolarHBondContact O-N 3.49Å; L4-C7 PolarHBondContact O-N 3.11Å; L4-C8 WeakPolarHBondContact O-CB 3.41Å; L4-C8 PolarHBondContact O-N 3.33Å; L4-F39 HydrophobicContact CD2-CE1 4.01Å; L4-T112 HydrophobicContact CD2-CG2 4.18Å; L4-Y115 HydrophobicContact CD2-CD1 4.38Å; L4-L116 HydrophobicContact CD2-CD2 4.31Å; L4-L116 HydrophobicContact CG-CD2 4.12Å
5W94.8Very high93.9Very high36 Ų3672.6 Ų72.614%0.13641%0.405CS..Hα-helixtrans-66.7-41.9177.4175.3-126.9000112.6M1 A2 E3 C7 C8 M9 L116 C119 L120 I178M1-W5 PolarHBondContact O-N 2.66Å; A2-W5 PolarHBondContact O-N 3.48Å; E3-W5 VanDerWaalsContact C-N 3.25Å; E3-W5 PolarHBondContact O-N 2.88Å; W5-C7 PolarHBondContact O-N 2.96Å; W5-C8 HydrophobicContact CE3-CB 4.01Å; W5-C8 HydrophobicContact CZ3-CB 4.26Å; W5-C8 WeakPolarHBondContact O-CB 3.44Å; W5-C8 PolarHBondContact O-N 2.86Å; W5-M9 HydrophobicContact CD2-CE 4.38Å; W5-M9 HydrophobicContact CD2-CG 4.07Å; W5-M9 HydrophobicContact CD2-SD 4.39Å; W5-M9 VanDerWaalsContact CE2-SD 3.51Å; W5-M9 HydrophobicContact CE3-CG 4.27Å; W5-M9 HydrophobicContact CG-CE 4.31Å; W5-M9 HydrophobicContact CH2-CG 3.6Å; W5-M9 HydrophobicContact CH2-SD 4.28Å; W5-M9 HydrophobicContact CZ2-CE 4.42Å; W5-M9 HydrophobicContact CZ2-CG 3.38Å; W5-M9 HydrophobicContact CZ2-SD 3.45Å; W5-M9 WeakPolarHBondContact CZ2-SD 3.48Å; W5-M9 HydrophobicContact CZ3-CG 4.05Å; W5-M9 PolarHBondContact O-N 3.46Å; W5-L116 HydrophobicContact CE3-CD2 4.25Å; W5-C119 HydrophobicContact CD2-CB 3.62Å; W5-C119 HydrophobicContact CE3-CB 3.52Å; W5-C119 HydrophobicContact CG-CB 4.28Å; W5-C119 HydrophobicContact CH2-CB 4.08Å; W5-C119 HydrophobicContact CZ2-CB 4.13Å; W5-C119 HydrophobicContact CZ3-CB 3.77Å; W5-L120 HydrophobicContact CH2-CD2 3.67Å; W5-L120 HydrophobicContact CH2-CG 4.09Å; W5-L120 HydrophobicContact CZ3-CD2 3.95Å; W5-L120 HydrophobicContact CZ3-CG 4.07Å; W5-I178 HydrophobicContact CH2-CD1 4.33Å; W5-I178 HydrophobicContact CH2-CG2 4.4Å; W5-I178 HydrophobicContact CZ2-CD1 3.63Å; W5-I178 HydrophobicContact CZ2-CG1 4.39Å
6Q95Very high93.7Very high125 Ų12569.4 Ų69.458%0.58439%0.387SS*.Hα-helixtrans-60.5-43.8174.4-74.7177.3-22.300112.2A2 E3 M9 A10A2-Q6 WeakPolarHBondContact O-CG 3.39Å; A2-Q6 PolarHBondContact O-N 2.91Å; E3-Q6 WeakPolarHBondContact O-CB 3.46Å; E3-Q6 PolarHBondContact O-N 3.32Å; E3-Q6 VanDerWaalsContact O-N 3.08Å; Q6-M9 HydrophobicContact CG-CE 4.25Å; Q6-M9 PolarHBondContact O-N 2.73Å; Q6-A10 WeakPolarHBondContact O-CB 3.37Å; Q6-A10 PolarHBondContact O-N 2.94Å
7C95.5Very high93.3Very high68 Ų6871.8 Ų71.846%0.45940%0.404SS..Hα-helixtrans-61.2-46174.5-69.20000111.5E3 L4 W5 M9 A10 V11E3-C7 PolarHBondContact O-N 3.17Å; E3-C7 PolarHBondContact O-SG 2.78Å; E3-C7 VanDerWaalsContact O-SG 3.41Å; L4-C7 PolarHBondContact O-N 3.11Å; W5-C7 PolarHBondContact O-N 2.96Å; C7-M9 PolarHBondContact O-N 2.79Å; C7-A10 PolarHBondContact O-N 3.38Å; C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 3.14Å
8C94.9Very high92.9Very high31 Ų3176.2 Ų76.221%0.20942%0.42CS..Hα-helixtrans-56.1-49.9177.4-175.70000111.8L4 W5 A10 V11 I12 L116L4-C8 WeakPolarHBondContact O-CB 3.41Å; L4-C8 PolarHBondContact O-N 3.33Å; W5-C8 HydrophobicContact CE3-CB 4.01Å; W5-C8 HydrophobicContact CZ3-CB 4.26Å; W5-C8 WeakPolarHBondContact O-CB 3.44Å; W5-C8 PolarHBondContact O-N 2.86Å; C8-A10 VanDerWaalsContact C-N 3.34Å; C8-A10 PolarHBondContact O-N 3.16Å; C8-V11 PolarHBondContact O-N 2.87Å; C8-I12 WeakPolarHBondContact O-CG1 3.36Å; C8-I12 PolarHBondContact O-N 2.88Å; C8-L116 HydrophobicContact CB-CD2 4.08Å
9M95.4Very high92.5Very high30 Ų3075.2 Ų75.215%0.14842%0.419CS..Hα-helixtrans-60.3-42.1177-69.6-174.4-68.100112.9W5 Q6 C7 I12 R13 L181 T182W5-M9 HydrophobicContact CD2-CE 4.38Å; W5-M9 HydrophobicContact CD2-CG 4.07Å; W5-M9 HydrophobicContact CD2-SD 4.39Å; W5-M9 VanDerWaalsContact CE2-SD 3.51Å; W5-M9 HydrophobicContact CE3-CG 4.27Å; W5-M9 HydrophobicContact CG-CE 4.31Å; W5-M9 HydrophobicContact CH2-CG 3.6Å; W5-M9 HydrophobicContact CH2-SD 4.28Å; W5-M9 HydrophobicContact CZ2-CE 4.42Å; W5-M9 HydrophobicContact CZ2-CG 3.38Å; W5-M9 HydrophobicContact CZ2-SD 3.45Å; W5-M9 WeakPolarHBondContact CZ2-SD 3.48Å; W5-M9 HydrophobicContact CZ3-CG 4.05Å; W5-M9 PolarHBondContact O-N 3.46Å; Q6-M9 HydrophobicContact CG-CE 4.25Å; Q6-M9 PolarHBondContact O-N 2.73Å; C7-M9 PolarHBondContact O-N 2.79Å; M9-I12 PolarHBondContact O-N 3.4Å; M9-R13 PolarHBondContact O-N 3.09Å; M9-R13 VanDerWaalsContact O-N 3.12Å; M9-L181 HydrophobicContact SD-CB 3.98Å; M9-L181 HydrophobicContact SD-CD1 3.89Å; M9-T182 HydrophobicContact CB-CG2 4.36Å; M9-T182 HydrophobicContact CG-CG2 4.1Å
10A94Very high92Very high61 Ų6174.8 Ų74.850%0.50443%0.432SS..Hα-helixtrans-64.1-42.3179.300000111.6Q6 C7 C8 R13 A14Q6-A10 WeakPolarHBondContact O-CB 3.37Å; Q6-A10 PolarHBondContact O-N 2.94Å; C7-A10 PolarHBondContact O-N 3.38Å; C8-A10 VanDerWaalsContact C-N 3.34Å; C8-A10 PolarHBondContact O-N 3.16Å; A10-R13 PolarHBondContact O-N 3.34Å; A10-A14 WeakPolarHBondContact O-CB 3.5Å; A10-A14 PolarHBondContact O-N 3.33Å
11V95.3Very high91.8Very high98 Ų9873.8 Ų73.859%0.59443%0.427SS*.Hα-helixtrans-64.4-45.7177.4170.80000111.2C7 C8 R13 A14 L15C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 3.14Å; C8-V11 PolarHBondContact O-N 2.87Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.25Å; V11-A14 PolarHBondContact O-N 2.71Å; V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.33Å
12I95.5Very high91.7Very high34 Ų3475.2 Ų75.217%0.17444%0.44CS..Hα-helixtrans-57.8-47.2177.4-66.9165.6000110.6C8 M9 L15 L16 L120 T182 L184C8-I12 WeakPolarHBondContact O-CG1 3.36Å; C8-I12 PolarHBondContact O-N 2.88Å; M9-I12 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 4.35Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.14Å; I12-L120 HydrophobicContact CD1-CD2 4.24Å; I12-T182 HydrophobicContact CD1-CG2 4.29Å; I12-T182 HydrophobicContact CG2-CG2 4.35Å; I12-L184 HydrophobicContact CD1-CD1 4.48Å; I12-L184 HydrophobicContact CG2-CD1 3.82Å; I12-L184 HydrophobicContact CG2-CD2 4.29Å; I12-L184 HydrophobicContact CG2-CG 3.87Å
13R93.6Very high91.7Very high130 Ų13072.4 Ų72.449%0.49142%0.417SS..Hα-helixtrans-65.2-42.8-179.7-169.5-172.5-66.5-171-3.5112.2M9 A10 V11 L15 T17 L181M9-R13 PolarHBondContact O-N 3.09Å; M9-R13 VanDerWaalsContact O-N 3.12Å; A10-R13 PolarHBondContact O-N 3.34Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.25Å; R13-L15 VanDerWaalsContact C-N 3.32Å; R13-T17 WeakPolarHBondContact O-CB 3.22Å; R13-T17 PolarHBondContact O-N 3.44Å; R13-T17 PolarHBondContact O-OG1 3.08Å; R13-L181 PolarHBondContact NE-O 3.41Å; R13-L181 PolarHBondContact NH2-O 3.47Å
14A92.1Very high91.7Very high58 Ų5870.9 Ų70.948%0.47941%0.411SS..Hα-helixtrans-62.2-41.7176.900000111.1A10 V11 T17 H18A10-A14 WeakPolarHBondContact O-CB 3.5Å; A10-A14 PolarHBondContact O-N 3.33Å; V11-A14 PolarHBondContact O-N 2.71Å; A14-T17 PolarHBondContact O-N 3.38Å; A14-H18 VanDerWaalsContact O-CB 3.26Å; A14-H18 WeakPolarHBondContact O-CB 3.35Å; A14-H18 PolarHBondContact O-N 3.25Å
15L92.6Very high91.7Very high111 Ų11174 Ų7458%0.58142%0.423SS*.Hα-helixtrans-62.9-47.8178179.362.9000112.3V11 I12 R13 T17 H18 S19V11-L15 WeakPolarHBondContact O-CB 3.41Å; V11-L15 PolarHBondContact O-N 3.33Å; I12-L15 PolarHBondContact O-N 3.43Å; R13-L15 VanDerWaalsContact C-N 3.32Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.13Å; L15-H18 PolarHBondContact O-N 3.02Å; L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 2.92Å
16L91.7Very high91.7Very high22 Ų2274.5 Ų74.512%0.11543%0.428CS..Hα-helixtrans-61.6-40.7176.6-67.7175.2000111.5I12 S19 G20 I26 L184I12-L16 HydrophobicContact CG2-CD1 4.35Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.14Å; L16-S19 PolarHBondContact O-OG 3.49Å; L16-G20 PolarHBondContact O-N 3.01Å; L16-G20 VanDerWaalsContact O-N 3.16Å; L16-I26 HydrophobicContact CD2-CD1 4.3Å; L16-I26 HydrophobicContact CD2-CG1 4.14Å; L16-L184 HydrophobicContact CD1-CD2 4.14Å; L16-L184 HydrophobicContact CD1-CG 4.36Å
17T86.8Confident91.7Very high110 Ų11073.1 Ų73.168%0.67543%0.428SS*.Hα-helixtrans-66.1-46178.5-53.80000111.7R13 A14 L15R13-T17 WeakPolarHBondContact O-CB 3.22Å; R13-T17 PolarHBondContact O-N 3.44Å; R13-T17 PolarHBondContact O-OG1 3.08Å; A14-T17 PolarHBondContact O-N 3.38Å; L15-T17 VanDerWaalsContact C-N 3.3Å; L15-T17 PolarHBondContact O-N 3.13Å
18H85.8Confident91.7Very high150 Ų15070.6 Ų70.669%0.69441%0.414SS*.Hα-helixtrans-72.5-38.9-176.3-175.676.3000112.5A14 L15 G20A14-H18 VanDerWaalsContact O-CB 3.26Å; A14-H18 WeakPolarHBondContact O-CB 3.35Å; A14-H18 PolarHBondContact O-N 3.25Å; L15-H18 PolarHBondContact O-N 3.02Å; H18-G20 VanDerWaalsContact C-N 3.34Å
19S85.3Confident91.9Very high58 Ų5870.5 Ų70.541%0.40641%0.411SS..Hα-helixtrans-76.8-19179.161.60000113.8L15 L16 V21L15-S19 VanDerWaalsContact O-CB 3.28Å; L15-S19 WeakPolarHBondContact O-CB 3.41Å; L15-S19 PolarHBondContact O-N 3.49Å; L15-S19 PolarHBondContact O-OG 2.92Å; L16-S19 PolarHBondContact O-OG 3.49Å; S19-V21 PolarHBondContact O-N 3.35Å; S19-V21 PolarHBondContact OG-N 3.41Å
20G83.6Confident91.9Very high66 Ų6669.9 Ų69.968%0.6841%0.412SS*.  trans69.54.4-172.100000114.1L16 H18L16-G20 PolarHBondContact O-N 3.01Å; L16-G20 VanDerWaalsContact O-N 3.16Å; H18-G20 VanDerWaalsContact C-N 3.34Å
21V87.4Confident92.1Very high54 Ų5468 Ų6833%0.32739%0.393SS..  trans-75.3126.7177177.80000109.1S19 Q25 I26S19-V21 PolarHBondContact O-N 3.35Å; S19-V21 PolarHBondContact OG-N 3.41Å; V21-Q25 HydrophobicContact CG1-CB 3.97Å; V21-I26 HydrophobicContact CG1-CD1 3.87Å
22S90.7Very high92.1Very high60 Ų6064.8 Ų64.842%0.4238%0.375SS..  trans-69.9141.6173.7176.90000110.4E24 Q25S22-E24 PolarHBondContact O-N 2.98Å; S22-E24 VanDerWaalsContact O-N 3.08Å; S22-E24 PolarHBondContact OG-N 3.49Å; S22-Q25 WeakPolarHBondContact O-CB 3.48Å; S22-Q25 PolarHBondContact O-N 3.14Å
23G89.5Confident92Very high6 Ų663.9 Ų63.96%0.06237%0.373CS..G310 helixtrans-57.1-22.6172.200000113.7Q25 I26 G183G23-Q25 PolarHBondContact O-N 3.28Å; G23-I26 PolarHBondContact O-N 2.84Å; G23-G183 WeakPolarHBondContact CA-O 3.3Å
24E92.5Very high91.8Very high117 Ų11760.9 Ų60.955%0.54737%0.365SS..G310 helixtrans-67.3-22.5172.9-68.7-68.7153.400113.5S22 K185S22-E24 PolarHBondContact O-N 2.98Å; S22-E24 VanDerWaalsContact O-N 3.08Å; S22-E24 PolarHBondContact OG-N 3.49Å; E24-K185 WeakPolarHBondContact OE2-CD 3.46Å; E24-K185 WeakPolarHBondContact OE2-CE 3.25Å; E24-K185 IonicContact OE2-NZ 2.64Å; E24-K185 PolarHBondContact OE2-NZ 3.29Å
25Q93.2Very high91.6Very high128 Ų12858.3 Ų58.360%0.59834%0.344SS*.G310 helixtrans-87.2-8179.5-61.3173.9-78.900112.4V21 S22 G23 V27V21-Q25 HydrophobicContact CG1-CB 3.97Å; S22-Q25 WeakPolarHBondContact O-CB 3.48Å; S22-Q25 PolarHBondContact O-N 3.14Å; G23-Q25 PolarHBondContact O-N 3.28Å; Q25-V27 PolarHBondContact O-N 2.93Å
26I95.2Very high91.6Very high47 Ų4754 Ų5424%0.24132%0.32CS..  trans-83.1104.3179.1-53.1-58.1000109.2L16 V21 G23 I29 L184 T188L16-I26 HydrophobicContact CD2-CD1 4.3Å; L16-I26 HydrophobicContact CD2-CG1 4.14Å; V21-I26 HydrophobicContact CG1-CD1 3.87Å; G23-I26 PolarHBondContact O-N 2.84Å; I26-I29 HydrophobicContact CG2-CG1 4Å; I26-L184 HydrophobicContact CB-CD2 4.31Å; I26-L184 HydrophobicContact CG1-CD2 4.08Å; I26-L184 HydrophobicContact CG2-CD2 4.28Å; I26-T188 HydrophobicContact CG2-CG2 4.13Å; I26-T188 WeakPolarHBondContact O-CG2 3.42Å; I26-T188 PolarHBondContact O-OG1 3.26Å
27V94.3Very high91.6Very high97 Ų9753 Ų5359%0.58832%0.315SS*.  trans-80.2-21.2-176.7-61.80000113.9Q25 P189 T395 V397Q25-V27 PolarHBondContact O-N 2.93Å; V27-P189 WeakPolarHBondContact O-CD 3.22Å; V27-T395 WeakPolarHBondContact O-CG2 3.42Å; V27-V397 HydrophobicContact CG2-CG2 4.44Å
28G96.8Very high92.2Very high15 Ų1547.8 Ų47.816%0.15528%0.283CS..  trans-170.2158.8179.500000112.8P189G28-P189 WeakPolarHBondContact CA-O 3.35Å
29I97.8Very high92.7Very high28 Ų2840.8 Ų40.814%0.14425%0.251CS..BIsolated β-bridgetrans-129.7134-179-63.1167000109.7I26 I174 L184 T188 P189 V190 V191I26-I29 HydrophobicContact CG2-CG1 4Å; I29-I174 HydrophobicContact CD1-CD1 3.72Å; I29-I174 HydrophobicContact CD1-CG1 3.79Å; I29-L184 HydrophobicContact CD1-CD1 3.53Å; I29-L184 HydrophobicContact CD1-CD2 4.1Å; I29-L184 HydrophobicContact CD1-CG 4.4Å; I29-T188 HydrophobicContact CD1-CG2 3.96Å; I29-T188 HydrophobicContact CG1-CG2 4.05Å; I29-P189 PolarHBondContact N-O 3.41Å; I29-V190 HydrophobicContact CB-CG1 4.29Å; I29-V190 HydrophobicContact CB-CG2 4.27Å; I29-V190 HydrophobicContact CG2-CG1 4.19Å; I29-V190 CarbonylContact O-C 3.57Å; I29-V190 WeakPolarHBondContact O-CA 3.31Å; I29-V191 PolarHBondContact O-N 3.1Å
30G96.9Very high93.3Very high18 Ų1838.1 Ų38.119%0.18623%0.232CC..  trans-123.1157.5168.300000110.1A387G30-A387 WeakPolarHBondContact CA-O 3.48Å
31I97Very high94Very high20 Ų2035 Ų3510%0.10320%0.2CC..  trans-126.5128.3-179.6-51.8177.7000108.6H113 L116 R117 L120 G193 L194I31-H113 HydrophobicContact CB-CB 4.15Å; I31-H113 HydrophobicContact CG2-CB 3.67Å; I31-L116 HydrophobicContact CD1-CB 3.83Å; I31-L116 HydrophobicContact CG2-CB 4.47Å; I31-L116 HydrophobicContact CG2-CD1 4.25Å; I31-R117 HydrophobicContact CD1-CB 3.88Å; I31-L120 HydrophobicContact CD1-CD1 3.83Å; I31-G193 CarbonylContact O-C 3.46Å; I31-G193 WeakPolarHBondContact O-CA 3.4Å; I31-L194 PolarHBondContact O-N 3.13Å
32S95.8Very high94.5Very high31 Ų3133.8 Ų33.822%0.21719%0.191CC..EExtended strand (participates in β ladder)trans-111.5137.5164.3-173.70000110L194 D196 S199 G383S32-L194 VanDerWaalsContact CA-O 3.24Å; S32-L194 WeakPolarHBondContact CA-O 3.29Å; S32-L194 PolarHBondContact OG-O 2.85Å; S32-D196 WeakPolarHBondContact OG-CA 3.04Å; S32-S199 WeakPolarHBondContact OG-CB 3.21Å; S32-G383 WeakPolarHBondContact CB-O 3.41Å
33A93.2Very high94.9Very high15 Ų1536.5 Ų36.512%0.12420%0.196CC..EExtended strand (participates in β ladder)trans-152.7168.5177.500000111.7G35 T112 H113 L194 D196A33-G35 PolarHBondContact O-N 2.54Å; A33-T112 HydrophobicContact CB-CG2 3.88Å; A33-H113 HydrophobicContact CB-CB 3.81Å; A33-L194 PolarHBondContact N-O 3.31Å; A33-D196 PolarHBondContact O-N 3.14Å
34Q89.6Confident95.2Very high68 Ų6842 Ų4232%0.31822%0.224SC..  trans-50.4139172.371.1-174.4-49.400112D196Q34-D196 WeakPolarHBondContact CA-OD2 3.25Å
35G88.8Confident95.4Very high4 Ų439.3 Ų39.34%0.04121%0.213CC..  trans-75.5161.5177.200000114A33 S54 N130 F195A33-G35 PolarHBondContact O-N 2.54Å; G35-S54 WeakPolarHBondContact O-CB 3.17Å; G35-S54 PolarHBondContact O-OG 3.37Å; G35-N130 VanDerWaalsContact CA-OD1 3.24Å; G35-N130 WeakPolarHBondContact CA-OD1 3.37Å; G35-F195 VanDerWaalsContact N-CD2 3.31Å
36K90.7Very high95.5Very high19 Ų1939.5 Ų39.58%0.08321%0.212CC..SBendtrans59.9-147.4174-57.9138.7-178154.30111.3H87 M111 N130 E133K36-H87 VanDerWaalsContact CE-NE2 3.32Å; K36-H87 WeakPolarHBondContact CE-NE2 3.39Å; K36-M111 WeakPolarHBondContact O-CG 3.32Å; K36-N130 PolarHBondContact N-OD1 2.59Å; K36-E133 VanDerWaalsContact CE-OE2 3.3Å; K36-E133 WeakPolarHBondContact CE-OE2 3.35Å; K36-E133 IonicContact NZ-OE2 2.7Å; K36-E133 PolarHBondContact NZ-OE2 3.35Å
37G93.7Very high95.6Very high1 Ų140 Ų401%0.0122%0.218CC..  trans71.7-169.1-170.500000112.2I52 G86 P88G37-I52 CarbonylContact C-O 3.54Å; G37-I52 WeakPolarHBondContact CA-O 3.34Å; G37-G86 PolarHBondContact N-O 2.97Å; G37-P88 VanDerWaalsContact O-CG 3.31Å; G37-P88 WeakPolarHBondContact O-CG 3.46Å
38L97.5Very high95.7Very high1 Ų136.4 Ų36.41%0.00520%0.196CC..BIsolated β-bridgetrans-146.8115.6-176.2-168.667.7000111.7L40 A51 I52 P88 L91 L92 L95 V109L38-L40 HydrophobicContact CD1-CD2 3.84Å; L38-L40 HydrophobicContact CD1-CG 4.43Å; L38-L40 HydrophobicContact CD2-CD1 3.98Å; L38-L40 HydrophobicContact CD2-CD2 4.22Å; L38-L40 HydrophobicContact CD2-CG 4.18Å; L38-L40 HydrophobicContact CG-CD1 4.28Å; L38-L40 HydrophobicContact CG-CD2 3.88Å; L38-L40 HydrophobicContact CG-CG 3.92Å; L38-A51 WeakPolarHBondContact O-CA 3.25Å; L38-I52 HydrophobicContact CB-CB 4.47Å; L38-I52 PolarHBondContact N-O 3.06Å; L38-I52 PolarHBondContact O-N 3.02Å; L38-P88 HydrophobicContact CD1-CB 4.24Å; L38-L91 HydrophobicContact CB-CB 4Å; L38-L91 HydrophobicContact CB-CD1 3.75Å; L38-L91 HydrophobicContact CD2-CB 3.73Å; L38-L91 HydrophobicContact CG-CB 4.44Å; L38-L92 HydrophobicContact CD1-CD1 4.4Å; L38-L92 HydrophobicContact CD1-CD2 4.1Å; L38-L92 HydrophobicContact CD1-CG 3.91Å; L38-L92 HydrophobicContact CD2-CD2 4.03Å; L38-L92 HydrophobicContact CD2-CG 4.03Å; L38-L95 HydrophobicContact CD2-CD1 3.63Å; L38-V109 HydrophobicContact CD1-CG1 3.76Å
39F97.8Very high95.5Very high4 Ų437.8 Ų37.82%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-119.3115.4176.9-70.4-113.2000108M1 L4 A51 L53 M110 T112 Y115M1-F39 HydrophobicContact CE-CB 4.24Å; M1-F39 HydrophobicContact CE-CD1 4.11Å; M1-F39 HydrophobicContact CG-CD1 4.05Å; M1-F39 HydrophobicContact CG-CE1 4.34Å; M1-F39 HydrophobicContact SD-CD1 4.28Å; L4-F39 HydrophobicContact CD2-CE1 4.01Å; F39-A51 HydrophobicContact CD1-CB 3.41Å; F39-A51 VanDerWaalsContact CD1-CB 3.41Å; F39-A51 HydrophobicContact CD2-CB 3.97Å; F39-A51 HydrophobicContact CE1-CB 3.33Å; F39-A51 HydrophobicContact CE2-CB 3.89Å; F39-A51 HydrophobicContact CG-CB 3.72Å; F39-A51 HydrophobicContact CZ-CB 3.58Å; F39-L53 HydrophobicContact CE2-CD2 4.48Å; F39-L53 HydrophobicContact CZ-CD2 4.21Å; F39-M110 HydrophobicContact CB-CB 4.39Å; F39-M110 PolarHBondContact N-O 3.23Å; F39-M110 WeakPolarHBondContact O-CA 3.4Å; F39-M110 PolarHBondContact O-N 2.89Å; F39-T112 HydrophobicContact CE1-CG2 4.29Å; F39-T112 HydrophobicContact CE2-CG2 4.47Å; F39-T112 WeakPolarHBondContact CE2-OG1 3.38Å; F39-T112 HydrophobicContact CZ-CG2 3.9Å; F39-T112 VanDerWaalsContact CZ-OG1 3.26Å; F39-T112 WeakPolarHBondContact CZ-OG1 3.4Å; F39-Y115 AromaticContact CD1-CD1 3.96Å; F39-Y115 HydrophobicContact CD1-CD1 3.96Å; F39-Y115 HydrophobicContact CD1-CG 4.03Å; F39-Y115 HydrophobicContact CE1-CD1 4.36Å
40L98.3Very high95.4Very high1 Ų142.7 Ų42.71%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-111.9138.7-170.6-62.5173.9000111.1L38 L48 L92 L95 I106 C108 V109L38-L40 HydrophobicContact CD1-CD2 3.84Å; L38-L40 HydrophobicContact CD1-CG 4.43Å; L38-L40 HydrophobicContact CD2-CD1 3.98Å; L38-L40 HydrophobicContact CD2-CD2 4.22Å; L38-L40 HydrophobicContact CD2-CG 4.18Å; L38-L40 HydrophobicContact CG-CD1 4.28Å; L38-L40 HydrophobicContact CG-CD2 3.88Å; L38-L40 HydrophobicContact CG-CG 3.92Å; L40-L48 HydrophobicContact CB-CB 3.97Å; L40-L48 HydrophobicContact CB-CD2 4.43Å; L40-L48 PolarHBondContact O-N 2.94Å; L40-L92 HydrophobicContact CD2-CD2 4.33Å; L40-L95 HydrophobicContact CD1-CD1 3.46Å; L40-L95 VanDerWaalsContact CD1-CD1 3.46Å; L40-I106 HydrophobicContact CD1-CD1 3.89Å; L40-I106 HydrophobicContact CD1-CG1 4Å; L40-I106 HydrophobicContact CD2-CD1 4.13Å; L40-I106 HydrophobicContact CD2-CG1 4.27Å; L40-I106 HydrophobicContact CD2-CG2 3.93Å; L40-C108 WeakPolarHBondContact CA-O 3.44Å; L40-V109 HydrophobicContact CD2-CB 4.45Å; L40-V109 HydrophobicContact CD2-CG2 3.96Å
41L98.1Very high95.3Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-106.5149.2159.7-55.9177.9000109.7K46 P47 G107 C108 M110 Y115 W118L41-K46 CarbonylContact C-O 3.57Å; L41-K46 VanDerWaalsContact CA-O 3.31Å; L41-K46 WeakPolarHBondContact CA-O 3.2Å; L41-P47 HydrophobicContact CD2-CG 4.42Å; L41-G107 PolarHBondContact O-N 3.28Å; L41-C108 HydrophobicContact CB-CB 3.94Å; L41-C108 HydrophobicContact CD1-CB 4.25Å; L41-C108 HydrophobicContact CG-CB 4.33Å; L41-C108 PolarHBondContact N-O 2.56Å; L41-C108 PolarHBondContact O-N 3.48Å; L41-C108 VanDerWaalsContact O-N 3.12Å; L41-M110 HydrophobicContact CD1-CE 3.41Å; L41-M110 VanDerWaalsContact CD1-CE 3.41Å; L41-M110 HydrophobicContact CD2-CE 4.18Å; L41-M110 HydrophobicContact CG-CE 3.48Å; L41-M110 VanDerWaalsContact CG-CE 3.48Å; L41-Y115 HydrophobicContact CD2-CE2 4.41Å; L41-W118 HydrophobicContact CD1-CD2 3.85Å; L41-W118 HydrophobicContact CD1-CE3 4.11Å; L41-W118 HydrophobicContact CD1-CG 4.46Å; L41-W118 HydrophobicContact CD1-CH2 4.05Å; L41-W118 HydrophobicContact CD1-CZ2 3.8Å; L41-W118 HydrophobicContact CD1-CZ3 4.2Å; L41-W118 HydrophobicContact CD2-CE3 4.32Å; L41-W118 HydrophobicContact CD2-CH2 4.08Å; L41-W118 HydrophobicContact CD2-CZ3 3.9Å
42D97.9Very high95.3Very high29 Ų2942.3 Ų42.316%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-77.4178.5170.474.76.8000111.6N44 D45 K46 L48 Q105D42-N44 PolarHBondContact O-N 2.69Å; D42-N44 VanDerWaalsContact O-N 3.1Å; D42-N44 VanDerWaalsContact OD1-CA 3.28Å; D42-N44 WeakPolarHBondContact OD1-CA 3.47Å; D42-N44 WeakPolarHBondContact OD1-CB 3.19Å; D42-N44 PolarHBondContact OD1-N 3.4Å; D42-D45 PolarHBondContact O-N 2.97Å; D42-D45 VanDerWaalsContact O-N 3.1Å; D42-D45 PolarHBondContact OD1-N 2.84Å; D42-K46 PolarHBondContact N-O 3.43Å; D42-K46 PolarHBondContact OD1-N 2.87Å; D42-L48 HydrophobicContact CB-CB 4.18Å; D42-L48 HydrophobicContact CB-CD1 4.14Å; D42-L48 HydrophobicContact CB-CD2 4.28Å; D42-L48 HydrophobicContact CB-CG 4.43Å; D42-Q105 CarbonylContact C-O 3.59Å; D42-Q105 VanDerWaalsContact CA-O 3.25Å; D42-Q105 WeakPolarHBondContact CA-O 3.34Å
43K97.4Very high95Very high118 Ų11844.2 Ų44.251%0.51324%0.241SC..THydrogen-bonded Turntrans-64.1-8.7177.4-70.7166.7176.3165.70114.6A104 Q105K43-A104 PolarHBondContact NZ-O 3.14Å; K43-Q105 PolarHBondContact N-O 3.22Å
44N97.1Very high94.6Very high122 Ų12244.5 Ų44.565%0.65224%0.242SC*.THydrogen-bonded Turntrans-112.317.5176.9-56.4-59.7000112.1D42 K46D42-N44 PolarHBondContact O-N 2.69Å; D42-N44 VanDerWaalsContact O-N 3.1Å; D42-N44 VanDerWaalsContact OD1-CA 3.28Å; D42-N44 WeakPolarHBondContact OD1-CA 3.47Å; D42-N44 WeakPolarHBondContact OD1-CB 3.19Å; D42-N44 PolarHBondContact OD1-N 3.4Å; N44-K46 VanDerWaalsContact C-N 3.29Å; N44-K46 PolarHBondContact O-N 3.12Å
45D96.2Very high94.2Very high59 Ų5944.9 Ų44.932%0.31625%0.252SS..SBendtrans58.136.6180-62.1-29.5000114D42 W118 K124D42-D45 PolarHBondContact O-N 2.97Å; D42-D45 VanDerWaalsContact O-N 3.1Å; D42-D45 PolarHBondContact OD1-N 2.84Å; D45-W118 HydrophobicContact CB-CZ2 3.99Å; D45-W118 VanDerWaalsContact O-CH2 3.29Å; D45-W118 WeakPolarHBondContact O-CH2 3.35Å; D45-K124 WeakPolarHBondContact OD1-CE 3.38Å; D45-K124 IonicContact OD1-NZ 3.05Å; D45-K124 PolarHBondContact OD1-NZ 3.41Å; D45-K124 IonicContact OD2-NZ 3.42Å
46K96Very high94Very high132 Ų13246.7 Ų46.757%0.57426%0.261SS*.  trans-104.8143.1169.7-58.3-58179.9-168.70111L41 D42 N44 L48L41-K46 CarbonylContact C-O 3.57Å; L41-K46 VanDerWaalsContact CA-O 3.31Å; L41-K46 WeakPolarHBondContact CA-O 3.2Å; D42-K46 PolarHBondContact N-O 3.43Å; D42-K46 PolarHBondContact OD1-N 2.87Å; N44-K46 VanDerWaalsContact C-N 3.29Å; N44-K46 PolarHBondContact O-N 3.12Å; K46-L48 PolarHBondContact O-N 3.47Å; K46-L48 VanDerWaalsContact O-N 3.1Å
47P95.9Very high93.7Very high57 Ų5753.1 Ų53.137%0.3729%0.285SS..BIsolated β-bridgetrans-50.1118.3172.5-29.136.3000112.1M1 L41 G49 Y115M1-P47 HydrophobicContact CB-CB 4.34Å; M1-P47 HydrophobicContact CE-CB 3.97Å; M1-P47 HydrophobicContact CE-CG 4.45Å; M1-P47 HydrophobicContact SD-CB 4.14Å; L41-P47 HydrophobicContact CD2-CG 4.42Å; P47-G49 PolarHBondContact O-N 3.29Å; P47-Y115 HydrophobicContact CG-CE2 4.37Å
48L96.6Very high93.7Very high23 Ų2357.3 Ų57.312%0.1230%0.3CS..  trans-94.581.2-174.9-178.658000110.2L40 D42 K46 R102 Q105 I106L40-L48 HydrophobicContact CB-CB 3.97Å; L40-L48 HydrophobicContact CB-CD2 4.43Å; L40-L48 PolarHBondContact O-N 2.94Å; D42-L48 HydrophobicContact CB-CB 4.18Å; D42-L48 HydrophobicContact CB-CD1 4.14Å; D42-L48 HydrophobicContact CB-CD2 4.28Å; D42-L48 HydrophobicContact CB-CG 4.43Å; K46-L48 PolarHBondContact O-N 3.47Å; K46-L48 VanDerWaalsContact O-N 3.1Å; L48-R102 HydrophobicContact CD1-CG 3.99Å; L48-R102 HydrophobicContact CD2-CG 4.19Å; L48-R102 WeakPolarHBondContact CD2-O 3.38Å; L48-R102 HydrophobicContact CG-CG 3.81Å; L48-R102 VanDerWaalsContact O-CZ 3.27Å; L48-R102 PolarHBondContact O-NE 2.84Å; L48-R102 PolarHBondContact O-NH2 3.24Å; L48-Q105 HydrophobicContact CD1-CB 4.07Å; L48-Q105 HydrophobicContact CD2-CB 4.01Å; L48-I106 HydrophobicContact CD2-CB 4.33Å; L48-I106 HydrophobicContact CD2-CG1 3.78Å
49G93.6Very high93.5Very high43 Ų4357.2 Ų57.244%0.44330%0.3SS..SBendtrans76.5-164.9-178.800000113.8P47P47-G49 PolarHBondContact O-N 3.29Å
50N94.7Very high93.1Very high132 Ų13259.6 Ų59.671%0.70631%0.311SS*.  trans-76.8136.4177.7-70.5-21.5000110.8R102N50-R102 PolarHBondContact O-NH2 3.35Å
51A95.5Very high92.9Very high26 Ų2665.4 Ų65.422%0.21534%0.339CS..  trans-61.7149.5167.800000110.6M1 L38 F39M1-A51 HydrophobicContact CG-CB 3.67Å; M1-A51 HydrophobicContact SD-CB 3.93Å; L38-A51 WeakPolarHBondContact O-CA 3.25Å; F39-A51 HydrophobicContact CD1-CB 3.41Å; F39-A51 VanDerWaalsContact CD1-CB 3.41Å; F39-A51 HydrophobicContact CD2-CB 3.97Å; F39-A51 HydrophobicContact CE1-CB 3.33Å; F39-A51 HydrophobicContact CE2-CB 3.89Å; F39-A51 HydrophobicContact CG-CB 3.72Å; F39-A51 HydrophobicContact CZ-CB 3.58Å
52I96.2Very high92.7Very high3 Ų365.6 Ų65.62%0.01534%0.339CS..BIsolated β-bridgetrans-113123.7179.1-52.7168.7000107.7G37 L38 D56 L91 L95G37-I52 CarbonylContact C-O 3.54Å; G37-I52 WeakPolarHBondContact CA-O 3.34Å; L38-I52 HydrophobicContact CB-CB 4.47Å; L38-I52 PolarHBondContact N-O 3.06Å; L38-I52 PolarHBondContact O-N 3.02Å; I52-D56 HydrophobicContact CG2-CB 3.57Å; I52-L91 HydrophobicContact CB-CD1 4.01Å; I52-L91 HydrophobicContact CB-CD2 4.42Å; I52-L91 HydrophobicContact CD1-CD2 4.47Å; I52-L91 HydrophobicContact CG2-CD1 3.81Å; I52-L91 HydrophobicContact CG2-CD2 3.6Å; I52-L91 HydrophobicContact CG2-CG 4.3Å; I52-L95 HydrophobicContact CD1-CD1 4.46Å; I52-L95 HydrophobicContact CD1-CD2 4.35Å; I52-L95 HydrophobicContact CD1-CG 4.45Å
53L91Very high92.5Very high72 Ų7264.6 Ų64.638%0.37733%0.334SS..  trans-81.2159.3-176-55.7-173.9000111.5F39 S55 D56F39-L53 HydrophobicContact CE2-CD2 4.48Å; F39-L53 HydrophobicContact CZ-CD2 4.21Å; L53-S55 PolarHBondContact O-N 3.46Å; L53-D56 WeakPolarHBondContact O-CB 3.41Å; L53-D56 PolarHBondContact O-N 3.26Å
54S84.8Confident92.2Very high20 Ų2065 Ų6514%0.1433%0.333CS..THydrogen-bonded Turntrans-65-20.1179.855.30000113.7G35 D56 W84 G86G35-S54 WeakPolarHBondContact O-CB 3.17Å; G35-S54 PolarHBondContact O-OG 3.37Å; S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.35Å; S54-W84 WeakPolarHBondContact O-CH2 3.45Å; S54-W84 WeakPolarHBondContact O-CZ2 3.38Å; S54-G86 VanDerWaalsContact O-CA 3.26Å; S54-G86 WeakPolarHBondContact O-CA 3.46Å
55S79.9Confident92.1Very high77 Ų7763.1 Ų63.154%0.53832%0.316SS..THydrogen-bonded Turntrans-77-9173.856.20000114.3L53L53-S55 PolarHBondContact O-N 3.46Å
56D84.5Confident92.1Very high41 Ų4161 Ų6122%0.21930%0.304CS..  trans-69.4137.7-178-163.3-58.4000111.6I52 L53 S54 R58 T85I52-D56 HydrophobicContact CG2-CB 3.57Å; L53-D56 WeakPolarHBondContact O-CB 3.41Å; L53-D56 PolarHBondContact O-N 3.26Å; S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.35Å; D56-R58 VanDerWaalsContact CG-NE 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.41Å; D56-R58 IonicContact OD1-CZ 3.31Å; D56-R58 PolarHBondContact OD1-N 3.12Å; D56-R58 IonicContact OD1-NE 3.9Å; D56-R58 PolarHBondContact OD1-NE 3Å; D56-R58 IonicContact OD2-CZ 3.6Å; D56-R58 IonicContact OD2-NE 3.49Å; D56-R58 PolarHBondContact OD2-NE 3.19Å; D56-R58 VanDerWaalsContact OD2-NE 3.08Å; D56-R58 IonicContact OD2-NH2 3.09Å; D56-R58 PolarHBondContact OD2-NH2 3.08Å; D56-T85 PolarHBondContact O-OG1 3.22Å
57R85.4Confident91.8Very high155 Ų15559.6 Ų59.659%0.58530%0.299SS*.  trans-109.16.1-175.4-64.2-172.5179.2-174.10.9113.8A59 M60R57-A59 PolarHBondContact O-N 2.89Å; R57-A59 VanDerWaalsContact O-N 3.11Å; R57-M60 HydrophobicContact CB-CE 4.32Å; R57-M60 HydrophobicContact CG-CE 4.4Å; R57-M60 VanDerWaalsContact O-CB 3.3Å; R57-M60 WeakPolarHBondContact O-CB 3.26Å; R57-M60 PolarHBondContact O-N 3.4Å
58R92.7Very high91.7Very high88 Ų8864.7 Ų64.733%0.33232%0.318SS..THydrogen-bonded Turntrans-56.7-31.7-175.871.2-176.566.8-165.21.1113.9D56 M60 L91 W94D56-R58 VanDerWaalsContact CG-NE 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.41Å; D56-R58 IonicContact OD1-CZ 3.31Å; D56-R58 PolarHBondContact OD1-N 3.12Å; D56-R58 IonicContact OD1-NE 3.9Å; D56-R58 PolarHBondContact OD1-NE 3Å; D56-R58 IonicContact OD2-CZ 3.6Å; D56-R58 IonicContact OD2-NE 3.49Å; D56-R58 PolarHBondContact OD2-NE 3.19Å; D56-R58 VanDerWaalsContact OD2-NE 3.08Å; D56-R58 IonicContact OD2-NH2 3.09Å; D56-R58 PolarHBondContact OD2-NH2 3.08Å; R58-M60 PolarHBondContact O-N 2.94Å; R58-L91 HydrophobicContact CG-CD2 4.11Å; R58-W94 HydrophobicContact CB-CD2 4.37Å; R58-W94 HydrophobicContact CB-CZ2 4.36Å; R58-W94 HydrophobicContact CG-CD2 3.82Å; R58-W94 HydrophobicContact CG-CE3 4.36Å; R58-W94 HydrophobicContact CG-CG 3.89Å; R58-W94 PolarHBondContact O-NE1 3.04Å
59A93.2Very high91.6Very high0 Ų068.3 Ų68.30%034%0.338CS..THydrogen-bonded Turntrans-83.313.2-179.300000113.8R57 E61 I62 V63 W94R57-A59 PolarHBondContact O-N 2.89Å; R57-A59 VanDerWaalsContact O-N 3.11Å; A59-E61 VanDerWaalsContact C-N 3.33Å; A59-E61 PolarHBondContact O-N 3.24Å; A59-I62 HydrophobicContact CB-CD1 4.5Å; A59-I62 WeakPolarHBondContact O-CB 3.34Å; A59-I62 PolarHBondContact O-N 3.18Å; A59-I62 VanDerWaalsContact O-N 3.15Å; A59-V63 WeakPolarHBondContact O-CG2 3.11Å; A59-V63 PolarHBondContact O-N 2.66Å; A59-W94 HydrophobicContact CB-CB 4.19Å
60M90.1Very high91.7Very high53 Ų5367.4 Ų67.426%0.26133%0.328SS..Hα-helixtrans-56-43.6-177.6-171.666.268.500113.3R57 R58 I62 V63 R64 T85R57-M60 HydrophobicContact CB-CE 4.32Å; R57-M60 HydrophobicContact CG-CE 4.4Å; R57-M60 VanDerWaalsContact O-CB 3.3Å; R57-M60 WeakPolarHBondContact O-CB 3.26Å; R57-M60 PolarHBondContact O-N 3.4Å; R58-M60 PolarHBondContact O-N 2.94Å; M60-I62 VanDerWaalsContact C-N 3.31Å; M60-I62 PolarHBondContact O-N 3.1Å; M60-V63 PolarHBondContact O-N 3.37Å; M60-R64 WeakPolarHBondContact O-CG 3.47Å; M60-R64 PolarHBondContact O-N 3.28Å; M60-T85 HydrophobicContact CB-CG2 4.11Å; M60-T85 HydrophobicContact CE-CG2 3.94Å; M60-T85 HydrophobicContact SD-CG2 4.02Å
61E93.2Very high91.7Very high124 Ų12461.8 Ų61.858%0.57930%0.298SS*.Hα-helixtrans-63.8-39179.3-167.2-169.214000111.8A59 R64 R65A59-E61 VanDerWaalsContact C-N 3.33Å; A59-E61 PolarHBondContact O-N 3.24Å; E61-R64 PolarHBondContact O-N 2.95Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 PolarHBondContact O-N 3.49Å; E61-R65 IonicContact OE1-NH2 3.97Å; E61-R65 PolarHBondContact OE1-NH2 3.32Å
62I95.6Very high91.6Very high3 Ų361.9 Ų61.92%0.01530%0.297CS..Hα-helixtrans-65.4-45.8178.3-68.5162.1000110.4A59 M60 R64 R65 W66 R93 W94A59-I62 HydrophobicContact CB-CD1 4.5Å; A59-I62 WeakPolarHBondContact O-CB 3.34Å; A59-I62 PolarHBondContact O-N 3.18Å; A59-I62 VanDerWaalsContact O-N 3.15Å; M60-I62 VanDerWaalsContact C-N 3.31Å; M60-I62 PolarHBondContact O-N 3.1Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 2.75Å; I62-R65 PolarHBondContact O-N 3.45Å; I62-W66 HydrophobicContact CG2-CD2 3.74Å; I62-W66 HydrophobicContact CG2-CE3 3.56Å; I62-W66 HydrophobicContact CG2-CH2 3.59Å; I62-W66 HydrophobicContact CG2-CZ2 3.7Å; I62-W66 HydrophobicContact CG2-CZ3 3.51Å; I62-W66 WeakPolarHBondContact O-CB 3.31Å; I62-W66 PolarHBondContact O-N 3.41Å; I62-R93 HydrophobicContact CD1-CB 4.32Å; I62-R93 HydrophobicContact CD1-CG 3.97Å; I62-R93 HydrophobicContact CG1-CG 4.31Å; I62-R93 HydrophobicContact CG2-CB 4.12Å; I62-R93 HydrophobicContact CG2-CG 3.65Å; I62-W94 HydrophobicContact CD1-CB 3.6Å; I62-W94 HydrophobicContact CD1-CG 4.14Å
63V92.3Very high91.4Very high8 Ų867.8 Ų67.85%0.04832%0.324CS..Hα-helixtrans-62.9-41.1178.11760000111.3A59 M60 W66 Q67 L83 T85A59-V63 WeakPolarHBondContact O-CG2 3.11Å; A59-V63 PolarHBondContact O-N 2.66Å; M60-V63 PolarHBondContact O-N 3.37Å; V63-W66 PolarHBondContact O-N 3.27Å; V63-Q67 VanDerWaalsContact O-CG 3.32Å; V63-Q67 WeakPolarHBondContact O-CG 3.34Å; V63-Q67 PolarHBondContact O-N 3.33Å; V63-L83 HydrophobicContact CG2-CD2 4.14Å; V63-T85 HydrophobicContact CB-CG2 4.41Å; V63-T85 HydrophobicContact CG2-CG2 3.92Å
64R91Very high91.5Very high128 Ų12869.8 Ų69.848%0.48333%0.33SS..Hα-helixtrans-62-46.4175-74.2178.2-179.3-175.9-3112M60 E61 I62 W66 Q67 E68M60-R64 WeakPolarHBondContact O-CG 3.47Å; M60-R64 PolarHBondContact O-N 3.28Å; E61-R64 PolarHBondContact O-N 2.95Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 2.75Å; R64-W66 VanDerWaalsContact C-N 3.34Å; R64-W66 PolarHBondContact O-N 3.22Å; R64-Q67 WeakPolarHBondContact O-CB 3.24Å; R64-Q67 PolarHBondContact O-N 3.38Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.44Å
65R95.4Very high92Very high81 Ų8168.9 Ų68.931%0.30632%0.324SS..Hα-helixtrans-59.7-44.8177.1-164.9-173.7-52.4157.14.6111.4E61 I62 Q67 E68 D69 E97E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 PolarHBondContact O-N 3.49Å; E61-R65 IonicContact OE1-NH2 3.97Å; E61-R65 PolarHBondContact OE1-NH2 3.32Å; I62-R65 PolarHBondContact O-N 3.45Å; R65-Q67 PolarHBondContact O-N 2.89Å; R65-E68 PolarHBondContact O-N 3.34Å; R65-D69 WeakPolarHBondContact O-CB 3.05Å; R65-D69 VanDerWaalsContact O-CG 3.26Å; R65-D69 PolarHBondContact O-N 2.9Å; R65-E97 IonicContact CZ-OE2 2.65Å; R65-E97 IonicContact NH1-OE1 3.6Å; R65-E97 PolarHBondContact NH1-OE1 3.24Å; R65-E97 VanDerWaalsContact NH1-OE1 3.09Å; R65-E97 IonicContact NH1-OE2 3.45Å; R65-E97 PolarHBondContact NH1-OE2 3.24Å; R65-E97 IonicContact NH2-OE2 3.46Å
66W95.5Very high92.7Very high16 Ų1667 Ų676%0.06131%0.305CS..Hα-helixtrans-62.8-37.9175.3-77.6-23.2000113.3I62 V63 R64 D69 G70 I71 P72 L83 R93 L152I62-W66 HydrophobicContact CG2-CD2 3.74Å; I62-W66 HydrophobicContact CG2-CE3 3.56Å; I62-W66 HydrophobicContact CG2-CH2 3.59Å; I62-W66 HydrophobicContact CG2-CZ2 3.7Å; I62-W66 HydrophobicContact CG2-CZ3 3.51Å; I62-W66 WeakPolarHBondContact O-CB 3.31Å; I62-W66 PolarHBondContact O-N 3.41Å; V63-W66 PolarHBondContact O-N 3.27Å; R64-W66 VanDerWaalsContact C-N 3.34Å; R64-W66 PolarHBondContact O-N 3.22Å; W66-D69 PolarHBondContact O-N 3.16Å; W66-G70 PolarHBondContact O-N 2.81Å; W66-I71 HydrophobicContact CB-CB 3.91Å; W66-I71 HydrophobicContact CB-CG1 4.24Å; W66-I71 HydrophobicContact CB-CG2 4.25Å; W66-I71 HydrophobicContact CG-CB 4.19Å; W66-I71 HydrophobicContact CG-CG1 4.23Å; W66-I71 HydrophobicContact CG-CG2 4.17Å; W66-I71 WeakPolarHBondContact O-CB 3.39Å; W66-I71 PolarHBondContact O-N 2.94Å; W66-P72 WeakPolarHBondContact O-CD 3.27Å; W66-L83 HydrophobicContact CD2-CD2 4.38Å; W66-L83 HydrophobicContact CE3-CD1 4.4Å; W66-L83 HydrophobicContact CE3-CD2 3.27Å; W66-L83 HydrophobicContact CE3-CG 4.46Å; W66-L83 HydrophobicContact CZ3-CD2 3.56Å; W66-R93 HydrophobicContact CH2-CB 3.61Å; W66-R93 HydrophobicContact CH2-CG 3.95Å; W66-R93 HydrophobicContact CZ2-CB 3.76Å; W66-R93 HydrophobicContact CZ2-CG 3.6Å; W66-L152 HydrophobicContact CD2-CD2 4.12Å; W66-L152 HydrophobicContact CE3-CD2 4.12Å; W66-L152 HydrophobicContact CH2-CB 4.44Å; W66-L152 HydrophobicContact CH2-CD2 3.5Å; W66-L152 VanDerWaalsContact CH2-CD2 3.5Å; W66-L152 HydrophobicContact CZ2-CB 4.06Å; W66-L152 HydrophobicContact CZ2-CD2 3.51Å; W66-L152 HydrophobicContact CZ2-CG 4.43Å; W66-L152 WeakPolarHBondContact CZ2-O 3.41Å; W66-L152 HydrophobicContact CZ3-CD2 3.82Å
67Q91Very high93.1Very high101 Ų10168.2 Ų68.247%0.47232%0.315SS..Hα-helixtrans-62.6-43.8172.5-74.5171.1-14.900111.7V63 R64 R65 D69 G70 P72V63-Q67 VanDerWaalsContact O-CG 3.32Å; V63-Q67 WeakPolarHBondContact O-CG 3.34Å; V63-Q67 PolarHBondContact O-N 3.33Å; R64-Q67 WeakPolarHBondContact O-CB 3.24Å; R64-Q67 PolarHBondContact O-N 3.38Å; R65-Q67 PolarHBondContact O-N 2.89Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.49Å; Q67-G70 PolarHBondContact O-N 3.49Å; Q67-P72 HydrophobicContact CG-CG 3.99Å
68E94Very high93.6Very high164 Ų16463.1 Ų63.177%0.76630%0.299SS*.Hα-helixtrans-64.2-35.6176-69.6172.5-176.200112.4R64 R65 G70R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.44Å; R65-E68 PolarHBondContact O-N 3.34Å; E68-G70 VanDerWaalsContact C-N 3.27Å; E68-G70 PolarHBondContact O-N 3.38Å
69D94.7Very high93.7Very high99 Ų9958.9 Ų58.953%0.52928%0.283SS..THydrogen-bonded Turntrans-80-2.9179.2-69.7-25.7000114R65 W66 Q67 I71R65-D69 WeakPolarHBondContact O-CB 3.05Å; R65-D69 VanDerWaalsContact O-CG 3.26Å; R65-D69 PolarHBondContact O-N 2.9Å; W66-D69 PolarHBondContact O-N 3.16Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.49Å; D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 HydrophobicContact CB-CG1 3.97Å; D69-I71 PolarHBondContact O-N 3.01Å
70G94.8Very high93.8Very high24 Ų2459.7 Ų59.725%0.24729%0.286CS..THydrogen-bonded Turntrans67.629.8-178.300000114W66 Q67 E68 E73W66-G70 PolarHBondContact O-N 2.81Å; Q67-G70 PolarHBondContact O-N 3.49Å; E68-G70 VanDerWaalsContact C-N 3.27Å; E68-G70 PolarHBondContact O-N 3.38Å; G70-E73 WeakPolarHBondContact CA-OE2 3.16Å
71I95.7Very high93.9Very high15 Ų1557.3 Ų57.38%0.07727%0.274CS..Hα-helixtrans-71.9-42.2178.5-64.2-64.7000112.4W66 D69 E73 K74 L75 L83 L152W66-I71 HydrophobicContact CB-CB 3.91Å; W66-I71 HydrophobicContact CB-CG1 4.24Å; W66-I71 HydrophobicContact CB-CG2 4.25Å; W66-I71 HydrophobicContact CG-CB 4.19Å; W66-I71 HydrophobicContact CG-CG1 4.23Å; W66-I71 HydrophobicContact CG-CG2 4.17Å; W66-I71 WeakPolarHBondContact O-CB 3.39Å; W66-I71 PolarHBondContact O-N 2.94Å; D69-I71 VanDerWaalsContact C-N 3.33Å; D69-I71 HydrophobicContact CB-CG1 3.97Å; D69-I71 PolarHBondContact O-N 3.01Å; I71-E73 VanDerWaalsContact C-N 3.29Å; I71-E73 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact O-N 2.78Å; I71-K74 VanDerWaalsContact O-N 3.09Å; I71-L75 HydrophobicContact CG2-CD1 3.49Å; I71-L75 VanDerWaalsContact CG2-CD1 3.49Å; I71-L75 HydrophobicContact CG2-CG 4.15Å; I71-L75 PolarHBondContact O-N 3.02Å; I71-L83 HydrophobicContact CG2-CD1 4.22Å; I71-L152 HydrophobicContact CG2-CD2 4.25Å
72P93Very high93.7Very high27 Ų2754 Ų5418%0.17526%0.263CS..Hα-helixtrans-54.6-41.4176.4-2836000113.8W66 Q67 K74 L75 Y76 L83W66-P72 WeakPolarHBondContact O-CD 3.27Å; Q67-P72 HydrophobicContact CG-CG 3.99Å; P72-K74 VanDerWaalsContact C-N 3.26Å; P72-K74 PolarHBondContact O-N 3.06Å; P72-L75 PolarHBondContact O-N 3.23Å; P72-Y76 WeakPolarHBondContact O-CB 3.34Å; P72-Y76 PolarHBondContact O-N 3.31Å; P72-L83 HydrophobicContact CG-CB 4.35Å
73E92.6Very high93.4Very high128 Ų12854.6 Ų54.660%0.59827%0.266SS*.Hα-helixtrans-66.7-27.9-179.8-64.276.9-173.600112.3G70 I71 P77G70-E73 WeakPolarHBondContact CA-OE2 3.16Å; I71-E73 VanDerWaalsContact C-N 3.29Å; I71-E73 PolarHBondContact O-N 3.39Å; E73-P77 VanDerWaalsContact O-CD 3.26Å; E73-P77 WeakPolarHBondContact O-CD 3.41Å
74K93.3Very high93Very high114 Ų11458 Ų5850%0.49628%0.278SS..Hα-helixtrans-79.4-38.4174.8-68.3175.7-175.7169.40112.3I71 P72 W151I71-K74 PolarHBondContact O-N 2.78Å; I71-K74 VanDerWaalsContact O-N 3.09Å; P72-K74 VanDerWaalsContact C-N 3.26Å; P72-K74 PolarHBondContact O-N 3.06Å; K74-W151 HydrophobicContact CB-CE3 4.21Å; K74-W151 HydrophobicContact CB-CZ3 4.19Å
75L94.6Very high92.8Very high1 Ų152 Ų521%0.00526%0.255CS..Hα-helixtrans-79.1-42.5-175.8-70.9169000112.5I71 P72 P77 L78 T79 L83 L148 W151 L152I71-L75 HydrophobicContact CG2-CD1 3.49Å; I71-L75 VanDerWaalsContact CG2-CD1 3.49Å; I71-L75 HydrophobicContact CG2-CG 4.15Å; I71-L75 PolarHBondContact O-N 3.02Å; P72-L75 PolarHBondContact O-N 3.23Å; L75-P77 VanDerWaalsContact C-CD 3.47Å; L75-L78 PolarHBondContact O-N 3.12Å; L75-T79 HydrophobicContact CB-CG2 4.4Å; L75-T79 HydrophobicContact CD2-CG2 4.47Å; L75-T79 PolarHBondContact O-N 3.01Å; L75-T79 PolarHBondContact O-OG1 2.69Å; L75-L83 HydrophobicContact CD1-CD1 3.29Å; L75-L148 HydrophobicContact CD2-CB 4.28Å; L75-L148 HydrophobicContact CD2-CD2 3.52Å; L75-L148 HydrophobicContact CD2-CG 4.49Å; L75-W151 HydrophobicContact CD2-CE3 3.87Å; L75-W151 HydrophobicContact CD2-CZ3 4.47Å; L75-W151 HydrophobicContact CG-CE3 4.5Å; L75-L152 HydrophobicContact CD1-CD1 4.22Å; L75-L152 HydrophobicContact CD1-CD2 3.72Å; L75-L152 HydrophobicContact CD1-CG 4.03Å; L75-L152 HydrophobicContact CD2-CD1 4.41Å
76Y94.4Very high92.5Very high37 Ų3748.1 Ų48.115%0.14524%0.241CC..Hα-helixtrans-53.8-41.9-171.4-174.4-95.8000114.4P72 L78 R80 P236 Y237P72-Y76 WeakPolarHBondContact O-CB 3.34Å; P72-Y76 PolarHBondContact O-N 3.31Å; Y76-L78 PolarHBondContact O-N 3.49Å; Y76-R80 WeakPolarHBondContact O-CA 3.5Å; Y76-R80 WeakPolarHBondContact O-CD 3.41Å; Y76-R80 PolarHBondContact O-N 3.09Å; Y76-P236 HydrophobicContact CD1-CB 4.48Å; Y76-P236 HydrophobicContact CD2-CB 3.97Å; Y76-P236 HydrophobicContact CE1-CB 4.16Å; Y76-P236 HydrophobicContact CE2-CB 3.62Å; Y76-P236 HydrophobicContact CG-CB 4.4Å; Y76-P236 VanDerWaalsContact OH-CA 3.31Å; Y76-P236 WeakPolarHBondContact OH-CA 3.05Å; Y76-Y237 VanDerWaalsContact CE2-O 3.27Å; Y76-Y237 WeakPolarHBondContact CE2-O 3.41Å; Y76-Y237 PolarHBondContact OH-N 3.36Å; Y76-Y237 PolarHBondContact OH-O 2.93Å
77P93.1Very high92.4Very high66 Ų6647.5 Ų47.543%0.42924%0.238SC..Hα-helixtrans-58.4-31.1176.7-26.136.1000114.3E73 L75 R80E73-P77 VanDerWaalsContact O-CD 3.26Å; E73-P77 WeakPolarHBondContact O-CD 3.41Å; L75-P77 VanDerWaalsContact C-CD 3.47Å; P77-R80 PolarHBondContact O-NE 3.24Å
78L94.7Very high92.7Very high48 Ų4842.8 Ų42.825%0.25122%0.216SC..Hα-helixtrans-93-45.5-178-58-177.8000112.4L75 Y76 M139 L148 W151L75-L78 PolarHBondContact O-N 3.12Å; Y76-L78 PolarHBondContact O-N 3.49Å; L78-M139 WeakPolarHBondContact O-CB 3.46Å; L78-M139 PolarHBondContact O-N 3.09Å; L78-L148 HydrophobicContact CB-CD2 4.16Å; L78-L148 HydrophobicContact CD1-CD2 3.93Å; L78-W151 HydrophobicContact CD1-CH2 3.8Å; L78-W151 HydrophobicContact CD1-CZ3 3.72Å
79T95.3Very high92.8Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-89.2-27.2-173.866.90000112.4L75 Q81 N135 M139 L148L75-T79 HydrophobicContact CB-CG2 4.4Å; L75-T79 HydrophobicContact CD2-CG2 4.47Å; L75-T79 PolarHBondContact O-N 3.01Å; L75-T79 PolarHBondContact O-OG1 2.69Å; T79-Q81 WeakPolarHBondContact O-CG 3.33Å; T79-Q81 PolarHBondContact O-N 3.2Å; T79-Q81 PolarHBondContact OG1-N 2.89Å; T79-N135 PolarHBondContact OG1-OD1 3.06Å; T79-M139 WeakPolarHBondContact O-CE 3.39Å; T79-L148 HydrophobicContact CG2-CD1 3.78Å; T79-L148 HydrophobicContact CG2-CD2 3.79Å; T79-L148 HydrophobicContact CG2-CG 4.42Å
80R94.9Very high92.9Very high16 Ų1630.2 Ų30.26%0.0616%0.155CC..  trans5428-168.8-55.9-67.9176.2150.13.8113.2Y76 P77 M139 L229 R230 D231 Y239Y76-R80 WeakPolarHBondContact O-CA 3.5Å; Y76-R80 WeakPolarHBondContact O-CD 3.41Å; Y76-R80 PolarHBondContact O-N 3.09Å; P77-R80 PolarHBondContact O-NE 3.24Å; R80-M139 HydrophobicContact CB-CB 4.4Å; R80-M139 HydrophobicContact CB-CG 4.35Å; R80-M139 HydrophobicContact CG-CB 3.98Å; R80-M139 HydrophobicContact CG-CG 4.06Å; R80-L229 HydrophobicContact CG-CD2 4.32Å; R80-R230 PolarHBondContact NH1-O 3.28Å; R80-D231 IonicContact CZ-OD1 2.77Å; R80-D231 IonicContact NH1-OD1 3.51Å; R80-D231 IonicContact NH2-OD1 2.63Å; R80-D231 PolarHBondContact NH2-OD1 2.86Å; R80-Y239 HydrophobicContact CB-CD2 4.06Å; R80-Y239 HydrophobicContact CB-CG 4.07Å; R80-Y239 PolarHBondContact O-N 3.2Å
81Q93.4Very high93.1Very high3 Ų329.1 Ų29.11%0.01414%0.143CC..  trans-117.6134178.8-68.1-62.7-55.700109.5T79 E133 N135 V238 Y239T79-Q81 WeakPolarHBondContact O-CG 3.33Å; T79-Q81 PolarHBondContact O-N 3.2Å; T79-Q81 PolarHBondContact OG1-N 2.89Å; Q81-E133 VanDerWaalsContact CD-CA 3.45Å; Q81-E133 PolarHBondContact OE1-O 3.08Å; Q81-N135 VanDerWaalsContact CB-ND2 3.34Å; Q81-N135 WeakPolarHBondContact CB-ND2 3.29Å; Q81-V238 VanDerWaalsContact NE2-CG1 3.28Å; Q81-V238 VanDerWaalsContact OE1-CG1 3.29Å; Q81-Y239 PolarHBondContact NE2-O 3.01Å
82T89Confident93.2Very high55 Ų5528.4 Ų28.434%0.33714%0.139SC..  trans-70.1163.8163.3630000109.9H87 N135 P236 V238T82-H87 PolarHBondContact O-CE1 3.4Å; T82-H87 PolarHBondContact O-ND1 3.31Å; T82-N135 PolarHBondContact O-ND2 3.09Å; T82-P236 HydrophobicContact CG2-CB 4.13Å; T82-P236 HydrophobicContact CG2-CG 4.28Å; T82-P236 VanDerWaalsContact CG2-O 3.22Å; T82-P236 WeakPolarHBondContact CG2-O 3.11Å; T82-V238 HydrophobicContact CG2-CG2 4.41Å
83L87.9Confident93.4Very high15 Ų1529.8 Ų29.88%0.07914%0.141CC..  trans-108.3117.1-173.7-139.5149.8000110.9V63 W66 I71 P72 L75 L152V63-L83 HydrophobicContact CG2-CD2 4.14Å; W66-L83 HydrophobicContact CD2-CD2 4.38Å; W66-L83 HydrophobicContact CE3-CD1 4.4Å; W66-L83 HydrophobicContact CE3-CD2 3.27Å; W66-L83 HydrophobicContact CE3-CG 4.46Å; W66-L83 HydrophobicContact CZ3-CD2 3.56Å; I71-L83 HydrophobicContact CG2-CD1 4.22Å; P72-L83 HydrophobicContact CG-CB 4.35Å; L75-L83 HydrophobicContact CD1-CD1 3.29Å; L83-L152 HydrophobicContact CD1-CD2 4.24Å
84W85.3Confident93.7Very high80 Ų8025.7 Ų25.730%0.30312%0.12SC..  trans-135.4158.6-175.4171.338.9000111.8S54 G86 H87 S90 W219S54-W84 WeakPolarHBondContact O-CH2 3.45Å; S54-W84 WeakPolarHBondContact O-CZ2 3.38Å; W84-G86 VanDerWaalsContact C-N 3.26Å; W84-G86 PolarHBondContact O-N 3.09Å; W84-H87 PolarHBondContact O-N 3.33Å; W84-S90 WeakPolarHBondContact O-CB 3.44Å; W84-S90 PolarHBondContact O-OG 3.1Å; W84-W219 AromaticContact CH2-CH2 3.71Å; W84-W219 HydrophobicContact CH2-CH2 3.71Å; W84-W219 HydrophobicContact CH2-CZ2 4.25Å; W84-W219 HydrophobicContact CZ2-CH2 4.21Å; W84-W219 HydrophobicContact CZ3-CH2 4.35Å
85T87.2Confident93.9Very high1 Ų120.2 Ų20.21%0.00610%0.097CC..THydrogen-bonded Turntrans-60.2-30.5-174.162.80000113.9D56 M60 V63 H87 L91D56-T85 PolarHBondContact O-OG1 3.22Å; M60-T85 HydrophobicContact CB-CG2 4.11Å; M60-T85 HydrophobicContact CE-CG2 3.94Å; M60-T85 HydrophobicContact SD-CG2 4.02Å; V63-T85 HydrophobicContact CB-CG2 4.41Å; V63-T85 HydrophobicContact CG2-CG2 3.92Å; T85-H87 VanDerWaalsContact C-N 3.35Å; T85-L91 WeakPolarHBondContact O-CD2 3.45Å
86G87.9Confident94.1Very high0 Ų022.8 Ų22.80%011%0.107CC..THydrogen-bonded Turntrans-83.3-3.5-179.100000115.5G37 S54 W84G37-G86 PolarHBondContact N-O 2.97Å; S54-G86 VanDerWaalsContact O-CA 3.26Å; S54-G86 WeakPolarHBondContact O-CA 3.46Å; W84-G86 VanDerWaalsContact C-N 3.26Å; W84-G86 PolarHBondContact O-N 3.09Å
87H94.1Very high94.3Very high3 Ų324.1 Ų24.11%0.01412%0.115CC..SBendtrans-72.3145.1179-73.7176.9000111.7K36 T82 W84 T85 V89 S90 L91 N135K36-H87 VanDerWaalsContact CE-NE2 3.32Å; K36-H87 WeakPolarHBondContact CE-NE2 3.39Å; T82-H87 PolarHBondContact O-CE1 3.4Å; T82-H87 PolarHBondContact O-ND1 3.31Å; W84-H87 PolarHBondContact O-N 3.33Å; T85-H87 VanDerWaalsContact C-N 3.35Å; H87-V89 HydrophobicContact CB-CG2 4.06Å; H87-V89 PolarHBondContact O-N 3.02Å; H87-V89 VanDerWaalsContact O-N 3.14Å; H87-S90 PolarHBondContact O-N 3.46Å; H87-L91 WeakPolarHBondContact O-CG 3.3Å; H87-L91 PolarHBondContact O-N 2.97Å; H87-L91 VanDerWaalsContact O-N 3.07Å; H87-N135 PolarHBondContact CE1-ND2 3.29Å; H87-N135 PolarHBondContact ND1-ND2 3.09Å
88P96.2Very high94.5Very high2 Ų225.4 Ų25.41%0.01312%0.115CC..Hα-helixtrans-47.6-43.5175.3-28.332.6000112.9G37 L38 S90 L91 L92 M111 L136G37-P88 VanDerWaalsContact O-CG 3.31Å; G37-P88 WeakPolarHBondContact O-CG 3.46Å; L38-P88 HydrophobicContact CD1-CB 4.24Å; P88-S90 PolarHBondContact O-N 3.24Å; P88-L91 PolarHBondContact O-N 3.35Å; P88-L92 WeakPolarHBondContact O-CB 3.37Å; P88-L92 WeakPolarHBondContact O-CG 3.17Å; P88-L92 PolarHBondContact O-N 3.27Å; P88-M111 HydrophobicContact CG-CG 4.44Å; P88-M111 HydrophobicContact CG-SD 4.35Å; P88-L136 HydrophobicContact CB-CD1 4.26Å
89V97.2Very high94.6Very high0 Ų026.1 Ų26.10%012%0.117CC..Hα-helixtrans-62.1-42.7179.5-62.70000113.6H87 L91 L92 R93 S134 N135 L136 L152 I154H87-V89 HydrophobicContact CB-CG2 4.06Å; H87-V89 PolarHBondContact O-N 3.02Å; H87-V89 VanDerWaalsContact O-N 3.14Å; V89-L91 VanDerWaalsContact C-N 3.35Å; V89-L92 PolarHBondContact O-N 2.79Å; V89-R93 WeakPolarHBondContact O-CB 3.32Å; V89-R93 PolarHBondContact O-N 2.79Å; V89-S134 WeakPolarHBondContact CG1-O 3.28Å; V89-N135 HydrophobicContact CB-CB 4.45Å; V89-N135 HydrophobicContact CG1-CB 3.93Å; V89-N135 HydrophobicContact CG2-CB 3.64Å; V89-L136 HydrophobicContact CG1-CD2 3.65Å; V89-L136 HydrophobicContact CG1-CG 3.63Å; V89-L152 HydrophobicContact CB-CD1 3.73Å; V89-L152 HydrophobicContact CG1-CD1 3.62Å; V89-L152 HydrophobicContact CG2-CD1 4.09Å; V89-L152 HydrophobicContact CG2-CD2 4.39Å; V89-I154 HydrophobicContact CB-CD1 4.06Å; V89-I154 HydrophobicContact CG1-CD1 4.11Å
90S97.1Very high94.7Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-66.7-41.3-179.9-55.20000110.6W84 H87 P88 W94W84-S90 WeakPolarHBondContact O-CB 3.44Å; W84-S90 PolarHBondContact O-OG 3.1Å; H87-S90 PolarHBondContact O-N 3.46Å; P88-S90 PolarHBondContact O-N 3.24Å; S90-W94 WeakPolarHBondContact O-CB 3.36Å; S90-W94 PolarHBondContact O-N 3.3Å
91L97.7Very high94.9Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-71.5-39.5179.2-64.2175.2000112L38 I52 R58 T85 H87 P88 V89 W94 L95L38-L91 HydrophobicContact CB-CB 4Å; L38-L91 HydrophobicContact CB-CD1 3.75Å; L38-L91 HydrophobicContact CD2-CB 3.73Å; L38-L91 HydrophobicContact CG-CB 4.44Å; I52-L91 HydrophobicContact CB-CD1 4.01Å; I52-L91 HydrophobicContact CB-CD2 4.42Å; I52-L91 HydrophobicContact CD1-CD2 4.47Å; I52-L91 HydrophobicContact CG2-CD1 3.81Å; I52-L91 HydrophobicContact CG2-CD2 3.6Å; I52-L91 HydrophobicContact CG2-CG 4.3Å; R58-L91 HydrophobicContact CG-CD2 4.11Å; T85-L91 WeakPolarHBondContact O-CD2 3.45Å; H87-L91 WeakPolarHBondContact O-CG 3.3Å; H87-L91 PolarHBondContact O-N 2.97Å; H87-L91 VanDerWaalsContact O-N 3.07Å; P88-L91 PolarHBondContact O-N 3.35Å; V89-L91 VanDerWaalsContact C-N 3.35Å; L91-W94 WeakPolarHBondContact O-CB 3.41Å; L91-W94 PolarHBondContact O-N 2.83Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.35Å
92L98.2Very high95Very high0 Ų038.9 Ų38.90%018%0.183CC..Hα-helixtrans-62-44.9173.2-77.2166.9000111.3L38 L40 P88 V89 W94 L95 K96 Y103 I106 V109 I154 I157L38-L92 HydrophobicContact CD1-CD1 4.4Å; L38-L92 HydrophobicContact CD1-CD2 4.1Å; L38-L92 HydrophobicContact CD1-CG 3.91Å; L38-L92 HydrophobicContact CD2-CD2 4.03Å; L38-L92 HydrophobicContact CD2-CG 4.03Å; L40-L92 HydrophobicContact CD2-CD2 4.33Å; P88-L92 WeakPolarHBondContact O-CB 3.37Å; P88-L92 WeakPolarHBondContact O-CG 3.17Å; P88-L92 PolarHBondContact O-N 3.27Å; V89-L92 PolarHBondContact O-N 2.79Å; L92-W94 VanDerWaalsContact C-N 3.28Å; L92-W94 PolarHBondContact O-N 3.03Å; L92-L95 PolarHBondContact O-N 3.21Å; L92-K96 PolarHBondContact O-N 2.92Å; L92-Y103 HydrophobicContact CB-CE2 4.45Å; L92-Y103 HydrophobicContact CD2-CE2 4.39Å; L92-Y103 WeakPolarHBondContact O-CE2 3.5Å; L92-I106 HydrophobicContact CD2-CD1 3.78Å; L92-V109 HydrophobicContact CD1-CG1 4.3Å; L92-V109 HydrophobicContact CD1-CG2 4.38Å; L92-V109 HydrophobicContact CD2-CG2 4.16Å; L92-I154 HydrophobicContact CB-CD1 4.14Å; L92-I154 HydrophobicContact CB-CG2 4.4Å; L92-I154 HydrophobicContact CD1-CD1 4.19Å; L92-I157 HydrophobicContact CD1-CG1 4.09Å; L92-I157 HydrophobicContact CD1-CG2 4.34Å; L92-I157 HydrophobicContact CD2-CD1 3.96Å; L92-I157 HydrophobicContact CD2-CG1 4Å
93R98.1Very high95.5Very high57 Ų5737.2 Ų37.222%0.21517%0.171CC..Hα-helixtrans-62.2-39.5175.9-178.362.6-171.9-158.9-0.3111.5I62 W66 V89 K96 E97 G153 I154I62-R93 HydrophobicContact CD1-CB 4.32Å; I62-R93 HydrophobicContact CD1-CG 3.97Å; I62-R93 HydrophobicContact CG1-CG 4.31Å; I62-R93 HydrophobicContact CG2-CB 4.12Å; I62-R93 HydrophobicContact CG2-CG 3.65Å; W66-R93 HydrophobicContact CH2-CB 3.61Å; W66-R93 HydrophobicContact CH2-CG 3.95Å; W66-R93 HydrophobicContact CZ2-CB 3.76Å; W66-R93 HydrophobicContact CZ2-CG 3.6Å; V89-R93 WeakPolarHBondContact O-CB 3.32Å; V89-R93 PolarHBondContact O-N 2.79Å; R93-K96 WeakPolarHBondContact O-CB 3.37Å; R93-K96 PolarHBondContact O-N 2.89Å; R93-E97 IonicContact CZ-OE1 2.74Å; R93-E97 IonicContact NE-OE1 2.69Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 IonicContact NH2-OE1 2.82Å; R93-E97 PolarHBondContact NH2-OE1 3.08Å; R93-E97 PolarHBondContact O-N 3.08Å; R93-E97 VanDerWaalsContact O-N 3.14Å; R93-G153 PolarHBondContact NH1-O 3.27Å; R93-I154 HydrophobicContact CB-CG2 3.96Å
94W98.3Very high96Very high41 Ų4139.1 Ų39.116%0.15519%0.188CC..Hα-helixtrans-62.4-46.7176-170.691.3000112.1R58 A59 I62 S90 L91 L92 K96 E97 H98 E99R58-W94 HydrophobicContact CB-CD2 4.37Å; R58-W94 HydrophobicContact CB-CZ2 4.36Å; R58-W94 HydrophobicContact CG-CD2 3.82Å; R58-W94 HydrophobicContact CG-CE3 4.36Å; R58-W94 HydrophobicContact CG-CG 3.89Å; R58-W94 PolarHBondContact O-NE1 3.04Å; A59-W94 HydrophobicContact CB-CB 4.19Å; I62-W94 HydrophobicContact CD1-CB 3.6Å; I62-W94 HydrophobicContact CD1-CG 4.14Å; S90-W94 WeakPolarHBondContact O-CB 3.36Å; S90-W94 PolarHBondContact O-N 3.3Å; L91-W94 WeakPolarHBondContact O-CB 3.41Å; L91-W94 PolarHBondContact O-N 2.83Å; L92-W94 VanDerWaalsContact C-N 3.28Å; L92-W94 PolarHBondContact O-N 3.03Å; W94-K96 VanDerWaalsContact C-N 3.29Å; W94-K96 PolarHBondContact O-N 3.33Å; W94-E97 PolarHBondContact O-N 2.81Å; W94-H98 AromaticContact CD1-CE1 3.67Å; W94-H98 AromaticContact CD1-ND1 3.6Å; W94-H98 HydrophobicContact CD2-CB 4.18Å; W94-H98 AromaticContact CD2-ND1 3.81Å; W94-H98 AromaticContact CE2-CG 3.62Å; W94-H98 AromaticContact CE2-ND1 3.63Å; W94-H98 HydrophobicContact CE3-CB 4.19Å; W94-H98 AromaticContact CG-ND1 3.8Å; W94-H98 HydrophobicContact CH2-CB 3.83Å; W94-H98 HydrophobicContact CZ2-CB 3.82Å; W94-H98 AromaticContact CZ2-CG 3.78Å; W94-H98 HydrophobicContact CZ3-CB 4.01Å; W94-H98 AromaticContact NE1-CE1 3.53Å; W94-H98 AromaticContact NE1-CG 3.84Å; W94-H98 AromaticContact NE1-ND1 3.5Å; W94-H98 PolarHBondContact NE1-ND1 2.79Å; W94-H98 AromaticContact NE1-NE2 3.84Å; W94-H98 WeakPolarHBondContact O-CB 3.44Å; W94-H98 PolarHBondContact O-N 3.15Å; W94-H98 PolarHBondContact O-ND1 3.32Å; W94-E99 HydrophobicContact CZ3-CG 4.18Å
95L97.8Very high96.6Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-61.6-37.5175.9-70.8178.1000112.1L38 L40 I52 L91 L92 E97 E99 Y103L38-L95 HydrophobicContact CD2-CD1 3.63Å; L40-L95 HydrophobicContact CD1-CD1 3.46Å; L40-L95 VanDerWaalsContact CD1-CD1 3.46Å; I52-L95 HydrophobicContact CD1-CD1 4.46Å; I52-L95 HydrophobicContact CD1-CD2 4.35Å; I52-L95 HydrophobicContact CD1-CG 4.45Å; L91-L95 WeakPolarHBondContact O-CG 3.3Å; L91-L95 PolarHBondContact O-N 3.35Å; L92-L95 PolarHBondContact O-N 3.21Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.86Å; L95-E99 HydrophobicContact CD2-CB 4.04Å; L95-E99 HydrophobicContact CD2-CG 4.19Å; L95-E99 VanDerWaalsContact CD2-OE2 3.27Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.45Å; L95-E99 CarbonylContact O-C 3.1Å; L95-E99 VanDerWaalsContact O-CA 3.27Å; L95-E99 WeakPolarHBondContact O-CA 3.28Å; L95-E99 PolarHBondContact O-N 3.27Å; L95-Y103 HydrophobicContact CB-CD2 4.3Å
96K98Very high97.1Very high54 Ų5439.8 Ų39.824%0.23520%0.195CC..Hα-helixtrans-60-42175.1-173.8174.9-178.9166.90112.3L92 R93 W94 Y103 G153 I154 E156L92-K96 PolarHBondContact O-N 2.92Å; R93-K96 WeakPolarHBondContact O-CB 3.37Å; R93-K96 PolarHBondContact O-N 2.89Å; W94-K96 VanDerWaalsContact C-N 3.29Å; W94-K96 PolarHBondContact O-N 3.33Å; K96-Y103 HydrophobicContact CB-CD1 4.2Å; K96-Y103 HydrophobicContact CB-CD2 3.75Å; K96-Y103 HydrophobicContact CB-CE1 4.24Å; K96-Y103 HydrophobicContact CB-CE2 3.8Å; K96-Y103 HydrophobicContact CB-CG 3.95Å; K96-Y103 HydrophobicContact CD-CE1 4.01Å; K96-Y103 HydrophobicContact CD-CE2 4.48Å; K96-Y103 HydrophobicContact CG-CD1 4.1Å; K96-Y103 HydrophobicContact CG-CE1 3.99Å; K96-Y103 HydrophobicContact CG-CE2 4.4Å; K96-Y103 HydrophobicContact CG-CG 4.35Å; K96-G153 WeakPolarHBondContact CD-O 3.25Å; K96-G153 PolarHBondContact NZ-O 2.86Å; K96-I154 HydrophobicContact CD-CG2 4.42Å; K96-E156 IonicContact NZ-OE1 3.47Å; K96-E156 PolarHBondContact NZ-OE1 3.06Å; K96-E156 IonicContact NZ-OE2 3.51Å; K96-E156 PolarHBondContact NZ-OE2 3.32Å
97E98.2Very high97.6Very high66 Ų6640.6 Ų40.631%0.30820%0.203SC..Hα-helixtrans-79.7-33-178.2-69.5-173.6-17300113.1R65 R93 W94 L95R65-E97 IonicContact CZ-OE2 2.65Å; R65-E97 IonicContact NH1-OE1 3.6Å; R65-E97 PolarHBondContact NH1-OE1 3.24Å; R65-E97 VanDerWaalsContact NH1-OE1 3.09Å; R65-E97 IonicContact NH1-OE2 3.45Å; R65-E97 PolarHBondContact NH1-OE2 3.24Å; R65-E97 IonicContact NH2-OE2 3.46Å; R93-E97 IonicContact CZ-OE1 2.74Å; R93-E97 IonicContact NE-OE1 2.69Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 IonicContact NH2-OE1 2.82Å; R93-E97 PolarHBondContact NH2-OE1 3.08Å; R93-E97 PolarHBondContact O-N 3.08Å; R93-E97 VanDerWaalsContact O-N 3.14Å; W94-E97 PolarHBondContact O-N 2.81Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.86Å
98H97.9Very high97.8Very high92 Ų9240.5 Ų40.543%0.42620%0.203SC..Hα-helixtrans-112.8-24.9-168.8-60.178.6000114.5W94W94-H98 AromaticContact CD1-CE1 3.67Å; W94-H98 AromaticContact CD1-ND1 3.6Å; W94-H98 HydrophobicContact CD2-CB 4.18Å; W94-H98 AromaticContact CD2-ND1 3.81Å; W94-H98 AromaticContact CE2-CG 3.62Å; W94-H98 AromaticContact CE2-ND1 3.63Å; W94-H98 HydrophobicContact CE3-CB 4.19Å; W94-H98 AromaticContact CG-ND1 3.8Å; W94-H98 HydrophobicContact CH2-CB 3.83Å; W94-H98 HydrophobicContact CZ2-CB 3.82Å; W94-H98 AromaticContact CZ2-CG 3.78Å; W94-H98 HydrophobicContact CZ3-CB 4.01Å; W94-H98 AromaticContact NE1-CE1 3.53Å; W94-H98 AromaticContact NE1-CG 3.84Å; W94-H98 AromaticContact NE1-ND1 3.5Å; W94-H98 PolarHBondContact NE1-ND1 2.79Å; W94-H98 AromaticContact NE1-NE2 3.84Å; W94-H98 WeakPolarHBondContact O-CB 3.44Å; W94-H98 PolarHBondContact O-N 3.15Å; W94-H98 PolarHBondContact O-ND1 3.32Å
99E97.6Very high97.9Very high63 Ų6340.6 Ų40.629%0.29420%0.204SC..  trans-133.257.6-179-63.1-177.9-165.500110.8W94 L95 E101 R102 Y103W94-E99 HydrophobicContact CZ3-CG 4.18Å; L95-E99 HydrophobicContact CD2-CB 4.04Å; L95-E99 HydrophobicContact CD2-CG 4.19Å; L95-E99 VanDerWaalsContact CD2-OE2 3.27Å; L95-E99 WeakPolarHBondContact CD2-OE2 3.45Å; L95-E99 CarbonylContact O-C 3.1Å; L95-E99 VanDerWaalsContact O-CA 3.27Å; L95-E99 WeakPolarHBondContact O-CA 3.28Å; L95-E99 PolarHBondContact O-N 3.27Å; E99-E101 VanDerWaalsContact C-N 3.26Å; E99-E101 PolarHBondContact O-N 3.13Å; E99-R102 HydrophobicContact CB-CB 3.99Å; E99-R102 WeakPolarHBondContact O-CB 3.42Å; E99-R102 PolarHBondContact O-N 3.02Å; E99-R102 WeakPolarHBondContact OE2-CD 3.45Å; E99-R102 IonicContact OE2-CZ 3.34Å; E99-R102 IonicContact OE2-NE 3.21Å; E99-R102 IonicContact OE2-NH1 3.54Å; E99-R102 PolarHBondContact OE2-NH1 3.15Å; E99-Y103 PolarHBondContact O-N 3.44Å
100P97.5Very high97.9Very high81 Ų8140.7 Ų40.753%0.52620%0.204SC..Hα-helixtrans-60.6-32.4-170.624.1-35.2000113.5Y103 A104P100-Y103 PolarHBondContact O-N 3.29Å; P100-A104 WeakPolarHBondContact O-CB 3.42Å; P100-A104 PolarHBondContact O-N 2.9Å
101E97.4Very high97.9Very high169 Ų16940.8 Ų40.879%0.7921%0.205SC*.Hα-helixtrans-63.9-43.1174.5-65.9-175.8177.900111.6E99 A104 Q105E99-E101 VanDerWaalsContact C-N 3.26Å; E99-E101 PolarHBondContact O-N 3.13Å; E101-A104 PolarHBondContact O-N 2.85Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.43Å
102R97.5Very high97.8Very high37 Ų3741.1 Ų41.114%0.1421%0.207CC..Hα-helixtrans-67.2-45.3175.6-173.1-175.2177.5-170.5-3.8110.6L48 N50 E99 A104 Q105L48-R102 HydrophobicContact CD1-CG 3.99Å; L48-R102 HydrophobicContact CD2-CG 4.19Å; L48-R102 WeakPolarHBondContact CD2-O 3.38Å; L48-R102 HydrophobicContact CG-CG 3.81Å; L48-R102 VanDerWaalsContact O-CZ 3.27Å; L48-R102 PolarHBondContact O-NE 2.84Å; L48-R102 PolarHBondContact O-NH2 3.24Å; N50-R102 PolarHBondContact O-NH2 3.35Å; E99-R102 HydrophobicContact CB-CB 3.99Å; E99-R102 WeakPolarHBondContact O-CB 3.42Å; E99-R102 PolarHBondContact O-N 3.02Å; E99-R102 WeakPolarHBondContact OE2-CD 3.45Å; E99-R102 IonicContact OE2-CZ 3.34Å; E99-R102 IonicContact OE2-NE 3.21Å; E99-R102 IonicContact OE2-NH1 3.54Å; E99-R102 PolarHBondContact OE2-NH1 3.15Å; R102-A104 VanDerWaalsContact C-N 3.27Å; R102-A104 PolarHBondContact O-N 2.97Å; R102-Q105 PolarHBondContact O-N 3Å
103Y98.4Very high97.6Very high20 Ų2041.1 Ų41.18%0.07821%0.207CC..Hα-helixtrans-56.7-41.7177.6-175.2-92.5000112L92 L95 K96 E99 P100 Q105 I106 I154 E156L92-Y103 HydrophobicContact CB-CE2 4.45Å; L92-Y103 HydrophobicContact CD2-CE2 4.39Å; L92-Y103 WeakPolarHBondContact O-CE2 3.5Å; L95-Y103 HydrophobicContact CB-CD2 4.3Å; K96-Y103 HydrophobicContact CB-CD1 4.2Å; K96-Y103 HydrophobicContact CB-CD2 3.75Å; K96-Y103 HydrophobicContact CB-CE1 4.24Å; K96-Y103 HydrophobicContact CB-CE2 3.8Å; K96-Y103 HydrophobicContact CB-CG 3.95Å; K96-Y103 HydrophobicContact CD-CE1 4.01Å; K96-Y103 HydrophobicContact CD-CE2 4.48Å; K96-Y103 HydrophobicContact CG-CD1 4.1Å; K96-Y103 HydrophobicContact CG-CE1 3.99Å; K96-Y103 HydrophobicContact CG-CE2 4.4Å; K96-Y103 HydrophobicContact CG-CG 4.35Å; E99-Y103 PolarHBondContact O-N 3.44Å; P100-Y103 PolarHBondContact O-N 3.29Å; Y103-Q105 PolarHBondContact O-N 3.19Å; Y103-I106 HydrophobicContact CD2-CD1 3.84Å; Y103-I106 HydrophobicContact CE2-CD1 4.36Å; Y103-I106 HydrophobicContact CG-CD1 4.31Å; Y103-I106 WeakPolarHBondContact O-CG1 3.44Å; Y103-I106 PolarHBondContact O-N 2.86Å; Y103-I154 WeakPolarHBondContact OH-CA 3.45Å; Y103-I154 PolarHBondContact OH-O 3.4Å; Y103-E156 HydrophobicContact CE1-CB 4.22Å; Y103-E156 PolarHBondContact OH-OE2 3.33Å
104A97.8Very high97.6Very high55 Ų5538.4 Ų38.446%0.45520%0.197SC..Hα-helixtrans-67.3-17.4178.200000114.6K43 P100 E101 R102K43-A104 PolarHBondContact NZ-O 3.14Å; P100-A104 WeakPolarHBondContact O-CB 3.42Å; P100-A104 PolarHBondContact O-N 2.9Å; E101-A104 PolarHBondContact O-N 2.85Å; R102-A104 VanDerWaalsContact C-N 3.27Å; R102-A104 PolarHBondContact O-N 2.97Å
105Q98.2Very high97.5Very high92 Ų9236.7 Ų36.743%0.4319%0.19SC..THydrogen-bonded Turntrans-93.4-5.3178.7-67.4-58.3-37.800113.7D42 K43 L48 E101 R102 Y103 G107D42-Q105 CarbonylContact C-O 3.59Å; D42-Q105 VanDerWaalsContact CA-O 3.25Å; D42-Q105 WeakPolarHBondContact CA-O 3.34Å; K43-Q105 PolarHBondContact N-O 3.22Å; L48-Q105 HydrophobicContact CD1-CB 4.07Å; L48-Q105 HydrophobicContact CD2-CB 4.01Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.43Å; R102-Q105 PolarHBondContact O-N 3Å; Y103-Q105 PolarHBondContact O-N 3.19Å; Q105-G107 PolarHBondContact O-N 3.45Å
106I98.6Very high97.5Very high3 Ų337.6 Ų37.62%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-60.5125.7-178.1-59.4169.6000109.9L40 L48 L92 Y103 V109 I157 A160L40-I106 HydrophobicContact CD1-CD1 3.89Å; L40-I106 HydrophobicContact CD1-CG1 4Å; L40-I106 HydrophobicContact CD2-CD1 4.13Å; L40-I106 HydrophobicContact CD2-CG1 4.27Å; L40-I106 HydrophobicContact CD2-CG2 3.93Å; L48-I106 HydrophobicContact CD2-CB 4.33Å; L48-I106 HydrophobicContact CD2-CG1 3.78Å; L92-I106 HydrophobicContact CD2-CD1 3.78Å; Y103-I106 HydrophobicContact CD2-CD1 3.84Å; Y103-I106 HydrophobicContact CE2-CD1 4.36Å; Y103-I106 HydrophobicContact CG-CD1 4.31Å; Y103-I106 WeakPolarHBondContact O-CG1 3.44Å; Y103-I106 PolarHBondContact O-N 2.86Å; I106-V109 HydrophobicContact CG2-CG2 3.97Å; I106-I157 HydrophobicContact CB-CD1 3.84Å; I106-I157 HydrophobicContact CD1-CD1 3.73Å; I106-I157 HydrophobicContact CG1-CD1 4.39Å; I106-I157 HydrophobicContact CG2-CD1 3.54Å; I106-A160 HydrophobicContact CG2-CB 4.04Å
107G98Very high97.4Very high17 Ų1735 Ų3518%0.17518%0.184CC..EExtended strand (participates in β ladder)trans-115.7-19.8173.900000113.6L41 Q105L41-G107 PolarHBondContact O-N 3.28Å; Q105-G107 PolarHBondContact O-N 3.45Å
108C98.3Very high97.4Very high2 Ų233.8 Ų33.81%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-151.1136.3173.1-1630000111.2L40 L41 K124 A160L40-C108 WeakPolarHBondContact CA-O 3.44Å; L41-C108 HydrophobicContact CB-CB 3.94Å; L41-C108 HydrophobicContact CD1-CB 4.25Å; L41-C108 HydrophobicContact CG-CB 4.33Å; L41-C108 PolarHBondContact N-O 2.56Å; L41-C108 PolarHBondContact O-N 3.48Å; L41-C108 VanDerWaalsContact O-N 3.12Å; C108-K124 HydrophobicContact CB-CD 4.41Å; C108-A160 CarbonylContact C-O 3.52Å; C108-A160 WeakPolarHBondContact CA-O 3.45Å
109V98.2Very high97.4Very high4 Ų430.3 Ų30.32%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-105.3122.9172.1178.40000109.6L38 L40 L92 I106 I157 A160 L161 P162L38-V109 HydrophobicContact CD1-CG1 3.76Å; L40-V109 HydrophobicContact CD2-CB 4.45Å; L40-V109 HydrophobicContact CD2-CG2 3.96Å; L92-V109 HydrophobicContact CD1-CG1 4.3Å; L92-V109 HydrophobicContact CD1-CG2 4.38Å; L92-V109 HydrophobicContact CD2-CG2 4.16Å; I106-V109 HydrophobicContact CG2-CG2 3.97Å; V109-I157 HydrophobicContact CG2-CD1 3.75Å; V109-I157 HydrophobicContact CG2-CG1 3.49Å; V109-I157 VanDerWaalsContact CG2-CG1 3.49Å; V109-A160 HydrophobicContact CG2-CB 4.44Å; V109-A160 PolarHBondContact N-O 3.39Å; V109-L161 HydrophobicContact CB-CD2 4.19Å; V109-L161 HydrophobicContact CG2-CD2 4.44Å; V109-P162 WeakPolarHBondContact O-CD 3.19Å; V109-P162 WeakPolarHBondContact O-CG 3.36Å
110M97.3Very high97.4Very high1 Ų127.4 Ų27.41%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-138.5169.9-178.8-72.7-172.7-66.700111.7F39 L41 D114 Y115 W118 P162F39-M110 HydrophobicContact CB-CB 4.39Å; F39-M110 PolarHBondContact N-O 3.23Å; F39-M110 WeakPolarHBondContact O-CA 3.4Å; F39-M110 PolarHBondContact O-N 2.89Å; L41-M110 HydrophobicContact CD1-CE 3.41Å; L41-M110 VanDerWaalsContact CD1-CE 3.41Å; L41-M110 HydrophobicContact CD2-CE 4.18Å; L41-M110 HydrophobicContact CG-CE 3.48Å; L41-M110 VanDerWaalsContact CG-CE 3.48Å; M110-D114 HydrophobicContact CB-CB 3.92Å; M110-D114 HydrophobicContact CG-CB 4.05Å; M110-D114 HydrophobicContact SD-CB 4.14Å; M110-Y115 HydrophobicContact CE-CD2 4.29Å; M110-W118 HydrophobicContact CE-CB 4.49Å; M110-W118 HydrophobicContact CE-CG 4.49Å; M110-W118 HydrophobicContact SD-CB 4.16Å; M110-P162 HydrophobicContact CG-CG 4.47Å
111M96.7Very high97.4Very high2 Ų224 Ų241%0.0113%0.126CC..  trans-112.5-175.7167.1-64.4158.8-66.100110.3K36 P88 H113 D114 Y115 C126 N130 I131K36-M111 WeakPolarHBondContact O-CG 3.32Å; P88-M111 HydrophobicContact CG-CG 4.44Å; P88-M111 HydrophobicContact CG-SD 4.35Å; M111-H113 PolarHBondContact O-N 3.44Å; M111-D114 WeakPolarHBondContact CE-OD2 3.41Å; M111-D114 PolarHBondContact N-OD2 3.41Å; M111-D114 PolarHBondContact O-N 3.43Å; M111-Y115 PolarHBondContact O-N 3.23Å; M111-C126 HydrophobicContact CE-CB 4.5Å; M111-N130 HydrophobicContact CE-CB 3.92Å; M111-N130 HydrophobicContact SD-CB 4.14Å; M111-N130 PolarHBondContact SD-OD1 3.38Å; M111-I131 HydrophobicContact CE-CB 3.85Å; M111-I131 HydrophobicContact CE-CD1 3.64Å; M111-I131 HydrophobicContact CE-CG1 4.33Å; M111-I131 HydrophobicContact SD-CD1 4.5Å
112T95.6Very high97.3Very high8 Ų818.3 Ų18.35%0.04911%0.113CC..Hα-helixtrans-60.2-51.9-167.3-48.70000113.8L4 A33 F39 Y115 L116L4-T112 HydrophobicContact CD2-CG2 4.18Å; A33-T112 HydrophobicContact CB-CG2 3.88Å; F39-T112 HydrophobicContact CE1-CG2 4.29Å; F39-T112 HydrophobicContact CE2-CG2 4.47Å; F39-T112 WeakPolarHBondContact CE2-OG1 3.38Å; F39-T112 HydrophobicContact CZ-CG2 3.9Å; F39-T112 VanDerWaalsContact CZ-OG1 3.26Å; F39-T112 WeakPolarHBondContact CZ-OG1 3.4Å; T112-Y115 PolarHBondContact O-N 3.21Å; T112-L116 PolarHBondContact O-N 3.02Å; T112-L116 VanDerWaalsContact O-N 3.14Å
113H94.2Very high97.4Very high0 Ų019.5 Ų19.50%012%0.124CC..Hα-helixtrans-70.6-34.7-176.965.3-71.8000111.1I31 A33 M111 L116 R117 E127 N130I31-H113 HydrophobicContact CB-CB 4.15Å; I31-H113 HydrophobicContact CG2-CB 3.67Å; A33-H113 HydrophobicContact CB-CB 3.81Å; M111-H113 PolarHBondContact O-N 3.44Å; H113-L116 PolarHBondContact O-N 2.92Å; H113-R117 WeakPolarHBondContact O-CB 3.32Å; H113-R117 PolarHBondContact O-N 3.3Å; H113-E127 WeakPolarHBondContact NE2-CB 3.35Å; H113-N130 VanDerWaalsContact CE1-CB 3.44Å; H113-N130 WeakPolarHBondContact CE1-CB 3.39Å; H113-N130 PolarHBondContact CE1-ND2 3.23Å; H113-N130 PolarHBondContact ND1-ND2 2.92Å
114D97.4Very high97.3Very high0 Ų021.9 Ų21.90%014%0.135CC..Hα-helixtrans-60.2-45.2172.6-58.7-51.8000112.4M110 M111 L116 R117 W118 C126 E127M110-D114 HydrophobicContact CB-CB 3.92Å; M110-D114 HydrophobicContact CG-CB 4.05Å; M110-D114 HydrophobicContact SD-CB 4.14Å; M111-D114 WeakPolarHBondContact CE-OD2 3.41Å; M111-D114 PolarHBondContact N-OD2 3.41Å; M111-D114 PolarHBondContact O-N 3.43Å; D114-L116 PolarHBondContact O-N 3.19Å; D114-R117 PolarHBondContact O-N 3.38Å; D114-R117 IonicContact OD1-CZ 2.77Å; D114-R117 IonicContact OD1-NH1 2.72Å; D114-R117 PolarHBondContact OD1-NH1 3.5Å; D114-R117 IonicContact OD1-NH2 2.6Å; D114-R117 PolarHBondContact OD1-NH2 2.93Å; D114-W118 WeakPolarHBondContact O-CB 3.47Å; D114-W118 PolarHBondContact O-N 3.46Å; D114-C126 VanDerWaalsContact OD1-CA 3.28Å; D114-C126 WeakPolarHBondContact OD1-CA 3.44Å; D114-E127 PolarHBondContact OD1-N 3.5Å
115Y97.5Very high97.3Very high5 Ų519.3 Ų19.32%0.0211%0.113CC..Hα-helixtrans-61.7-44.1176.5170.7-110.3000111.8M1 L4 F39 L41 P47 M110 M111 T112 W118 C119M1-Y115 HydrophobicContact CB-CE1 4.04Å; M1-Y115 HydrophobicContact CE-CD1 4.21Å; M1-Y115 HydrophobicContact CE-CD2 3.39Å; M1-Y115 HydrophobicContact CE-CE1 4.1Å; M1-Y115 HydrophobicContact CE-CE2 3.27Å; M1-Y115 HydrophobicContact CE-CG 3.88Å; M1-Y115 HydrophobicContact CG-CE1 4.33Å; L4-Y115 HydrophobicContact CD2-CD1 4.38Å; F39-Y115 AromaticContact CD1-CD1 3.96Å; F39-Y115 HydrophobicContact CD1-CD1 3.96Å; F39-Y115 HydrophobicContact CD1-CG 4.03Å; F39-Y115 HydrophobicContact CE1-CD1 4.36Å; L41-Y115 HydrophobicContact CD2-CE2 4.41Å; P47-Y115 HydrophobicContact CG-CE2 4.37Å; M110-Y115 HydrophobicContact CE-CD2 4.29Å; M111-Y115 PolarHBondContact O-N 3.23Å; T112-Y115 PolarHBondContact O-N 3.21Å; Y115-W118 HydrophobicContact CD2-CE3 4.1Å; Y115-W118 HydrophobicContact CD2-CZ3 4.48Å; Y115-W118 HydrophobicContact CE2-CE3 4.05Å; Y115-W118 HydrophobicContact CE2-CZ3 4Å; Y115-W118 PolarHBondContact O-N 3.3Å; Y115-C119 VanDerWaalsContact CE2-SG 3.55Å; Y115-C119 PolarHBondContact O-N 2.84Å; Y115-C119 PolarHBondContact O-SG 2.97Å; Y115-C119 VanDerWaalsContact O-SG 3.35Å
116L96.8Very high97.2Very high18 Ų1815 Ų159%0.0949%0.093CC..Hα-helixtrans-65.6-40.9177.7-71.5176.3000112L4 W5 C8 I31 T112 H113 D114 C119 L120L4-L116 HydrophobicContact CD2-CD2 4.31Å; L4-L116 HydrophobicContact CG-CD2 4.12Å; W5-L116 HydrophobicContact CE3-CD2 4.25Å; C8-L116 HydrophobicContact CB-CD2 4.08Å; I31-L116 HydrophobicContact CD1-CB 3.83Å; I31-L116 HydrophobicContact CG2-CB 4.47Å; I31-L116 HydrophobicContact CG2-CD1 4.25Å; T112-L116 PolarHBondContact O-N 3.02Å; T112-L116 VanDerWaalsContact O-N 3.14Å; H113-L116 PolarHBondContact O-N 2.92Å; D114-L116 PolarHBondContact O-N 3.19Å; L116-C119 WeakPolarHBondContact O-CB 3.44Å; L116-C119 PolarHBondContact O-N 3.34Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.43Å; L116-L120 VanDerWaalsContact O-N 3.09Å
117R97.5Very high97.2Very high1 Ų114.8 Ų14.80%0.0049%0.093CC..Hα-helixtrans-61.1-47.9174.4-174174.469.7-105.9-11.6111I31 H113 D114 C119 L120 T121 G125 C171 V190 V191 G192I31-R117 HydrophobicContact CD1-CB 3.88Å; H113-R117 WeakPolarHBondContact O-CB 3.32Å; H113-R117 PolarHBondContact O-N 3.3Å; D114-R117 PolarHBondContact O-N 3.38Å; D114-R117 IonicContact OD1-CZ 2.77Å; D114-R117 IonicContact OD1-NH1 2.72Å; D114-R117 PolarHBondContact OD1-NH1 3.5Å; D114-R117 IonicContact OD1-NH2 2.6Å; D114-R117 PolarHBondContact OD1-NH2 2.93Å; R117-C119 VanDerWaalsContact C-N 3.29Å; R117-C119 PolarHBondContact O-N 3.29Å; R117-L120 WeakPolarHBondContact O-CA 3.34Å; R117-L120 WeakPolarHBondContact O-CB 3.04Å; R117-L120 PolarHBondContact O-N 3.47Å; R117-T121 HydrophobicContact CG-CG2 4.41Å; R117-T121 PolarHBondContact O-N 3.33Å; R117-T121 PolarHBondContact O-OG1 2.86Å; R117-G125 PolarHBondContact NH2-O 3.23Å; R117-C171 PolarHBondContact NE-SG 2.93Å; R117-C171 VanDerWaalsContact NE-SG 3.4Å; R117-V190 HydrophobicContact CG-CG1 3.87Å; R117-V191 WeakPolarHBondContact CD-O 3.43Å; R117-G192 PolarHBondContact NH1-O 2.77Å
118W97.8Very high97.1Very high40 Ų4016 Ų1615%0.1529%0.094CC..Hα-helixtrans-59.6-38.1174.7173.780000112.3L41 D45 M110 D114 Y115 L120 T121 G122L41-W118 HydrophobicContact CD1-CD2 3.85Å; L41-W118 HydrophobicContact CD1-CE3 4.11Å; L41-W118 HydrophobicContact CD1-CG 4.46Å; L41-W118 HydrophobicContact CD1-CH2 4.05Å; L41-W118 HydrophobicContact CD1-CZ2 3.8Å; L41-W118 HydrophobicContact CD1-CZ3 4.2Å; L41-W118 HydrophobicContact CD2-CE3 4.32Å; L41-W118 HydrophobicContact CD2-CH2 4.08Å; L41-W118 HydrophobicContact CD2-CZ3 3.9Å; D45-W118 HydrophobicContact CB-CZ2 3.99Å; D45-W118 VanDerWaalsContact O-CH2 3.29Å; D45-W118 WeakPolarHBondContact O-CH2 3.35Å; M110-W118 HydrophobicContact CE-CB 4.49Å; M110-W118 HydrophobicContact CE-CG 4.49Å; M110-W118 HydrophobicContact SD-CB 4.16Å; D114-W118 WeakPolarHBondContact O-CB 3.47Å; D114-W118 PolarHBondContact O-N 3.46Å; Y115-W118 HydrophobicContact CD2-CE3 4.1Å; Y115-W118 HydrophobicContact CD2-CZ3 4.48Å; Y115-W118 HydrophobicContact CE2-CE3 4.05Å; Y115-W118 HydrophobicContact CE2-CZ3 4Å; Y115-W118 PolarHBondContact O-N 3.3Å; W118-L120 VanDerWaalsContact C-N 3.27Å; W118-L120 PolarHBondContact O-N 2.67Å; W118-T121 PolarHBondContact O-N 2.97Å; W118-G122 VanDerWaalsContact O-CA 3.28Å; W118-G122 WeakPolarHBondContact O-CA 3.32Å; W118-G122 PolarHBondContact O-N 3.43Å
119C97Very high96.9Very high18 Ų1816 Ų1612%0.1229%0.093CC..Hα-helixtrans-63.6-32173.6-74.40000113.2W5 Y115 L116 R117 I178W5-C119 HydrophobicContact CD2-CB 3.62Å; W5-C119 HydrophobicContact CE3-CB 3.52Å; W5-C119 HydrophobicContact CG-CB 4.28Å; W5-C119 HydrophobicContact CH2-CB 4.08Å; W5-C119 HydrophobicContact CZ2-CB 4.13Å; W5-C119 HydrophobicContact CZ3-CB 3.77Å; Y115-C119 VanDerWaalsContact CE2-SG 3.55Å; Y115-C119 PolarHBondContact O-N 2.84Å; Y115-C119 PolarHBondContact O-SG 2.97Å; Y115-C119 VanDerWaalsContact O-SG 3.35Å; L116-C119 WeakPolarHBondContact O-CB 3.44Å; L116-C119 PolarHBondContact O-N 3.34Å; R117-C119 VanDerWaalsContact C-N 3.29Å; R117-C119 PolarHBondContact O-N 3.29Å; C119-I178 WeakPolarHBondContact O-CG1 3.35Å
120L97.4Very high96.8Very high3 Ų315.8 Ų15.82%0.0169%0.092CC..Hα-helixtrans-77.6-40177.5-70.2165.9000112.4W5 I12 I31 L116 R117 W118 I174 T175 I178 V190W5-L120 HydrophobicContact CH2-CD2 3.67Å; W5-L120 HydrophobicContact CH2-CG 4.09Å; W5-L120 HydrophobicContact CZ3-CD2 3.95Å; W5-L120 HydrophobicContact CZ3-CG 4.07Å; I12-L120 HydrophobicContact CD1-CD2 4.24Å; I31-L120 HydrophobicContact CD1-CD1 3.83Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.43Å; L116-L120 VanDerWaalsContact O-N 3.09Å; R117-L120 WeakPolarHBondContact O-CA 3.34Å; R117-L120 WeakPolarHBondContact O-CB 3.04Å; R117-L120 PolarHBondContact O-N 3.47Å; W118-L120 VanDerWaalsContact C-N 3.27Å; W118-L120 PolarHBondContact O-N 2.67Å; L120-I174 HydrophobicContact CB-CD1 3.92Å; L120-I174 HydrophobicContact CD2-CD1 3.75Å; L120-I174 HydrophobicContact CG-CD1 4.3Å; L120-T175 PolarHBondContact O-N 3.5Å; L120-I178 HydrophobicContact CD2-CG2 3.83Å; L120-V190 HydrophobicContact CD1-CG1 4.4Å
121T97.6Very high96.8Very high10 Ų1015.9 Ų15.96%0.0619%0.093CC..Hα-helixtrans-114.2-22.9-166.2720000115.5R117 W118 V123 C171 E173 T175 V190R117-T121 HydrophobicContact CG-CG2 4.41Å; R117-T121 PolarHBondContact O-N 3.33Å; R117-T121 PolarHBondContact O-OG1 2.86Å; W118-T121 PolarHBondContact O-N 2.97Å; T121-V123 PolarHBondContact O-N 3.47Å; T121-V123 PolarHBondContact OG1-N 2.99Å; T121-V123 VanDerWaalsContact OG1-N 3.09Å; T121-C171 PolarHBondContact OG1-O 3.23Å; T121-E173 VanDerWaalsContact CA-O 3.32Å; T121-E173 WeakPolarHBondContact CA-O 3.23Å; T121-T175 WeakPolarHBondContact O-CG2 3.28Å; T121-V190 HydrophobicContact CG2-CB 3.6Å; T121-V190 HydrophobicContact CG2-CG1 4.25Å; T121-V190 HydrophobicContact CG2-CG2 3.5Å
122G96.6Very high96.7Very high49 Ų4915.8 Ų15.851%0.5059%0.092SC..  trans731.8-169.600000114.7W118W118-G122 VanDerWaalsContact O-CA 3.28Å; W118-G122 WeakPolarHBondContact O-CA 3.32Å; W118-G122 PolarHBondContact O-N 3.43Å
123V97.9Very high96.7Very high62 Ų6215.4 Ų15.438%0.3769%0.09SC..  trans-96.3131.3-178.4-176.90000109.9T121T121-V123 PolarHBondContact O-N 3.47Å; T121-V123 PolarHBondContact OG1-N 2.99Å; T121-V123 VanDerWaalsContact OG1-N 3.09Å
124K97.6Very high96.7Very high69 Ų6915.4 Ų15.430%0.39%0.09SC..  trans-87.9134.8178.3-66.4174.2-179.71740110.3D45 C108 P162D45-K124 WeakPolarHBondContact OD1-CE 3.38Å; D45-K124 IonicContact OD1-NZ 3.05Å; D45-K124 PolarHBondContact OD1-NZ 3.41Å; D45-K124 IonicContact OD2-NZ 3.42Å; C108-K124 HydrophobicContact CB-CD 4.41Å; K124-P162 HydrophobicContact CB-CB 4.05Å
125G96.8Very high96.6Very high1 Ų115.4 Ų15.41%0.019%0.09CC..  trans-166.3163.7170.400000109.5R117 P163R117-G125 PolarHBondContact NH2-O 3.23Å; G125-P163 CarbonylContact C-O 3.49Å; G125-P163 WeakPolarHBondContact CA-O 3.29Å
126C97.4Very high96.5Very high1 Ų115.2 Ų15.21%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-121.3122167.9-86.10000108.7M111 D114 I131 Y144 P162 P163 V164 V165M111-C126 HydrophobicContact CE-CB 4.5Å; D114-C126 VanDerWaalsContact OD1-CA 3.28Å; D114-C126 WeakPolarHBondContact OD1-CA 3.44Å; C126-I131 HydrophobicContact CB-CB 4.02Å; C126-I131 HydrophobicContact CB-CD1 4.13Å; C126-I131 HydrophobicContact CB-CG1 4.01Å; C126-I131 HydrophobicContact CB-CG2 4.46Å; C126-Y144 WeakPolarHBondContact CB-OH 3.39Å; C126-P162 HydrophobicContact CB-CG 4.11Å; C126-P162 WeakPolarHBondContact SG-CG 3.45Å; C126-P163 PolarHBondContact N-O 3.01Å; C126-V164 CarbonylContact O-C 3.58Å; C126-V164 VanDerWaalsContact O-CA 3.31Å; C126-V164 WeakPolarHBondContact O-CA 3.46Å; C126-V165 PolarHBondContact O-N 3.47Å
127E97.3Very high96.5Very high0 Ų014.4 Ų14.40%09%0.085CC..EExtended strand (participates in β ladder)trans-70.5138.3-178.7-169.6-81.4142.400111.8H113 D114 S129 N130 I131 V165 S167 G193H113-E127 WeakPolarHBondContact NE2-CB 3.35Å; D114-E127 PolarHBondContact OD1-N 3.5Å; E127-S129 VanDerWaalsContact CD-N 3.27Å; E127-S129 VanDerWaalsContact CD-OG 3.24Å; E127-S129 PolarHBondContact O-N 3.1Å; E127-S129 VanDerWaalsContact OE1-CB 3.24Å; E127-S129 WeakPolarHBondContact OE1-CB 3.29Å; E127-S129 PolarHBondContact OE1-N 3.09Å; E127-S129 PolarHBondContact OE1-OG 3.27Å; E127-S129 VanDerWaalsContact OE2-CB 3.31Å; E127-S129 WeakPolarHBondContact OE2-CB 3.29Å; E127-S129 PolarHBondContact OE2-N 3.03Å; E127-S129 VanDerWaalsContact OE2-N 3.16Å; E127-S129 PolarHBondContact OE2-OG 2.97Å; E127-N130 PolarHBondContact O-N 3.37Å; E127-N130 PolarHBondContact OE2-N 3.27Å; E127-I131 WeakPolarHBondContact O-CG2 2.9Å; E127-I131 PolarHBondContact O-N 3.25Å; E127-V165 CarbonylContact C-O 3.56Å; E127-V165 VanDerWaalsContact CA-O 3.31Å; E127-V165 WeakPolarHBondContact CA-O 3.24Å; E127-V165 HydrophobicContact CB-CG2 4.33Å; E127-S167 WeakPolarHBondContact OE1-CB 3.49Å; E127-S167 PolarHBondContact OE1-OG 2.97Å; E127-G193 VanDerWaalsContact CD-O 3.3Å; E127-G193 WeakPolarHBondContact CG-O 3.48Å
128E96.3Very high96.5Very high42 Ų4214.7 Ų14.720%0.1969%0.086CC..Hα-helixtrans-62.8-42-166.3-168.3171.5-146.500113.9N130 I131 S132 Y137 V164 V165 R241E128-N130 PolarHBondContact O-N 2.97Å; E128-I131 PolarHBondContact O-N 2.94Å; E128-S132 WeakPolarHBondContact O-CB 3.34Å; E128-S132 PolarHBondContact O-N 2.73Å; E128-S132 PolarHBondContact O-OG 3.39Å; E128-Y137 HydrophobicContact CG-CE2 4.31Å; E128-Y137 PolarHBondContact OE1-OH 2.91Å; E128-V164 HydrophobicContact CB-CG1 3.78Å; E128-V164 HydrophobicContact CG-CG1 3.93Å; E128-V165 PolarHBondContact N-O 3.06Å; E128-R241 HydrophobicContact CG-CB 3.85Å; E128-R241 HydrophobicContact CG-CG 3.81Å; E128-R241 IonicContact OE1-NE 2.73Å
129S95Very high96.3Very high1 Ų112.8 Ų12.81%0.0078%0.079CC..Hα-helixtrans-62.6-27.3-178.586.20000112.6E127 S132 F195E127-S129 VanDerWaalsContact CD-N 3.27Å; E127-S129 VanDerWaalsContact CD-OG 3.24Å; E127-S129 PolarHBondContact O-N 3.1Å; E127-S129 VanDerWaalsContact OE1-CB 3.24Å; E127-S129 WeakPolarHBondContact OE1-CB 3.29Å; E127-S129 PolarHBondContact OE1-N 3.09Å; E127-S129 PolarHBondContact OE1-OG 3.27Å; E127-S129 VanDerWaalsContact OE2-CB 3.31Å; E127-S129 WeakPolarHBondContact OE2-CB 3.29Å; E127-S129 PolarHBondContact OE2-N 3.03Å; E127-S129 VanDerWaalsContact OE2-N 3.16Å; E127-S129 PolarHBondContact OE2-OG 2.97Å; S129-S132 PolarHBondContact O-OG 3.04Å; S129-F195 WeakPolarHBondContact OG-CB 3.19Å; S129-F195 PolarHBondContact OG-N 3.24Å
130N95.6Very high96.1Very high0 Ų015.6 Ų15.60%010%0.099CC..Hα-helixtrans-93.5-45.7177.6-152-27.3000112.5G35 K36 M111 H113 E127 E128 S132 E133 F195G35-N130 VanDerWaalsContact CA-OD1 3.24Å; G35-N130 WeakPolarHBondContact CA-OD1 3.37Å; K36-N130 PolarHBondContact N-OD1 2.59Å; M111-N130 HydrophobicContact CE-CB 3.92Å; M111-N130 HydrophobicContact SD-CB 4.14Å; M111-N130 PolarHBondContact SD-OD1 3.38Å; H113-N130 VanDerWaalsContact CE1-CB 3.44Å; H113-N130 WeakPolarHBondContact CE1-CB 3.39Å; H113-N130 PolarHBondContact CE1-ND2 3.23Å; H113-N130 PolarHBondContact ND1-ND2 2.92Å; E127-N130 PolarHBondContact O-N 3.37Å; E127-N130 PolarHBondContact OE2-N 3.27Å; E128-N130 PolarHBondContact O-N 2.97Å; N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 3.25Å; N130-E133 PolarHBondContact O-N 3.19Å; N130-F195 HydrophobicContact CB-CB 4.14Å
131I96.7Very high95.8Very high4 Ų420.4 Ų20.42%0.02112%0.124CC..Hα-helixtrans-69-27.4-176.6-162.464.7000112.2M111 C126 E127 E128 E133 S134 Y137 Y144 V164M111-I131 HydrophobicContact CE-CB 3.85Å; M111-I131 HydrophobicContact CE-CD1 3.64Å; M111-I131 HydrophobicContact CE-CG1 4.33Å; M111-I131 HydrophobicContact SD-CD1 4.5Å; C126-I131 HydrophobicContact CB-CB 4.02Å; C126-I131 HydrophobicContact CB-CD1 4.13Å; C126-I131 HydrophobicContact CB-CG1 4.01Å; C126-I131 HydrophobicContact CB-CG2 4.46Å; E127-I131 WeakPolarHBondContact O-CG2 2.9Å; E127-I131 PolarHBondContact O-N 3.25Å; E128-I131 PolarHBondContact O-N 2.94Å; I131-E133 PolarHBondContact O-N 2.86Å; I131-E133 VanDerWaalsContact O-N 3.16Å; I131-S134 WeakPolarHBondContact O-CB 3.44Å; I131-S134 PolarHBondContact O-N 3.4Å; I131-S134 PolarHBondContact O-OG 3.48Å; I131-Y137 HydrophobicContact CG2-CD2 4.11Å; I131-Y137 WeakPolarHBondContact O-CB 3.32Å; I131-Y144 HydrophobicContact CD1-CE1 3.96Å; I131-Y144 HydrophobicContact CG1-CE1 3.53Å; I131-V164 HydrophobicContact CG2-CG1 4.17Å; I131-V164 HydrophobicContact CG2-CG2 4.23Å
132S95.7Very high95.6Very high0 Ų021 Ų210%013%0.132CC..THydrogen-bonded Turntrans-60.7-2117260.20000112.9E128 S129 N130 R241E128-S132 WeakPolarHBondContact O-CB 3.34Å; E128-S132 PolarHBondContact O-N 2.73Å; E128-S132 PolarHBondContact O-OG 3.39Å; S129-S132 PolarHBondContact O-OG 3.04Å; N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 3.25Å; S132-R241 PolarHBondContact OG-N 2.74Å
133E94.3Very high95.6Very high0 Ų024 Ų240%013%0.133CC..THydrogen-bonded Turntrans-99.815.3176.3-58.3-165.7-16200114.6K36 Q81 N130 I131 F195 H251K36-E133 VanDerWaalsContact CE-OE2 3.3Å; K36-E133 WeakPolarHBondContact CE-OE2 3.35Å; K36-E133 IonicContact NZ-OE2 2.7Å; K36-E133 PolarHBondContact NZ-OE2 3.35Å; Q81-E133 VanDerWaalsContact CD-CA 3.45Å; Q81-E133 PolarHBondContact OE1-O 3.08Å; N130-E133 PolarHBondContact O-N 3.19Å; I131-E133 PolarHBondContact O-N 2.86Å; I131-E133 VanDerWaalsContact O-N 3.16Å; E133-F195 WeakPolarHBondContact OE1-CE1 3.42Å; E133-F195 WeakPolarHBondContact OE2-CE1 3.32Å; E133-H251 IonicContact OE1-CE1 3.82Å; E133-H251 PolarHBondContact OE1-CE1 3.09Å; E133-H251 VanDerWaalsContact OE1-CE1 3.24Å; E133-H251 IonicContact OE1-ND1 3.83Å; E133-H251 IonicContact OE2-CE1 3.37Å; E133-H251 PolarHBondContact OE2-CE1 3.46Å; E133-H251 IonicContact OE2-NE2 3.95Å
134S94.2Very high95.5Very high0 Ų023.2 Ų23.20%012%0.124CC..THydrogen-bonded Turntrans-90.3-15-173.666.10000115.5V89 I131 L136V89-S134 WeakPolarHBondContact CG1-O 3.28Å; I131-S134 WeakPolarHBondContact O-CB 3.44Å; I131-S134 PolarHBondContact O-N 3.4Å; I131-S134 PolarHBondContact O-OG 3.48Å; S134-L136 PolarHBondContact O-N 3.32Å; S134-L136 WeakPolarHBondContact OG-CB 3.16Å; S134-L136 PolarHBondContact OG-N 3.12Å
135N95.5Very high95.5Very high0 Ų021.2 Ų21.20%012%0.117CC..THydrogen-bonded Turntrans6411.5-159.5-77.5-82.7000115.7T79 Q81 T82 H87 V89T79-N135 PolarHBondContact OG1-OD1 3.06Å; Q81-N135 VanDerWaalsContact CB-ND2 3.34Å; Q81-N135 WeakPolarHBondContact CB-ND2 3.29Å; T82-N135 PolarHBondContact O-ND2 3.09Å; H87-N135 PolarHBondContact CE1-ND2 3.29Å; H87-N135 PolarHBondContact ND1-ND2 3.09Å; V89-N135 HydrophobicContact CB-CB 4.45Å; V89-N135 HydrophobicContact CG1-CB 3.93Å; V89-N135 HydrophobicContact CG2-CB 3.64Å
136L96Very high95.4Very high1 Ų124.6 Ų24.61%0.00514%0.138CC..SBendtrans-96.4-10.7167.7-65.2163.5000112.8P88 V89 S134 Y144 D145 T149 I154 L161P88-L136 HydrophobicContact CB-CD1 4.26Å; V89-L136 HydrophobicContact CG1-CD2 3.65Å; V89-L136 HydrophobicContact CG1-CG 3.63Å; S134-L136 PolarHBondContact O-N 3.32Å; S134-L136 WeakPolarHBondContact OG-CB 3.16Å; S134-L136 PolarHBondContact OG-N 3.12Å; L136-Y144 HydrophobicContact CB-CD1 4.12Å; L136-Y144 HydrophobicContact CB-CE1 4.38Å; L136-Y144 WeakPolarHBondContact O-CA 3.46Å; L136-D145 PolarHBondContact O-N 3.44Å; L136-T149 HydrophobicContact CD2-CG2 3.45Å; L136-T149 VanDerWaalsContact CD2-CG2 3.45Å; L136-I154 HydrophobicContact CD2-CD1 4.41Å; L136-L161 HydrophobicContact CD1-CD2 3.85Å
137Y96.9Very high95.3Very high0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-109.8132.9-170.8-176.2-84.8000110.5E128 I131 M139 G142 V164 R241E128-Y137 HydrophobicContact CG-CE2 4.31Å; E128-Y137 PolarHBondContact OE1-OH 2.91Å; I131-Y137 HydrophobicContact CG2-CD2 4.11Å; I131-Y137 WeakPolarHBondContact O-CB 3.32Å; Y137-M139 HydrophobicContact CD1-CE 4.5Å; Y137-M139 HydrophobicContact CE1-SD 4.25Å; Y137-G142 VanDerWaalsContact CE2-C 3.44Å; Y137-G142 WeakPolarHBondContact CE2-O 3.5Å; Y137-G142 VanDerWaalsContact CZ-CA 3.49Å; Y137-G142 WeakPolarHBondContact OH-CA 3.36Å; Y137-G142 PolarHBondContact OH-O 3.5Å; Y137-V164 HydrophobicContact CE2-CG1 4.45Å; Y137-V164 HydrophobicContact CE2-CG2 4.45Å; Y137-R241 HydrophobicContact CE1-CG 4.14Å; Y137-R241 PolarHBondContact OH-NE 2.78Å
138N96.7Very high95.3Very high7 Ų726.2 Ų26.24%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-90.1112.5173.7-177.5-39.7000109.2S140 L141 G142 E143 D145N138-S140 PolarHBondContact O-N 3.45Å; N138-S140 PolarHBondContact OD1-N 2.86Å; N138-S140 VanDerWaalsContact OD1-N 3.12Å; N138-L141 HydrophobicContact CB-CB 4.13Å; N138-L141 HydrophobicContact CB-CD1 4.22Å; N138-L141 HydrophobicContact CB-CG 4.3Å; N138-L141 WeakPolarHBondContact ND2-CD1 3.48Å; N138-L141 PolarHBondContact O-N 3.25Å; N138-L141 PolarHBondContact OD1-N 3.22Å; N138-L141 VanDerWaalsContact OD1-N 3.14Å; N138-G142 PolarHBondContact O-N 2.77Å; N138-E143 PolarHBondContact N-O 3.45Å; N138-D145 HydrophobicContact CB-CB 3.72Å; N138-D145 PolarHBondContact ND2-OD2 3.32Å
139M95.1Very high95.4Very high1 Ų124.2 Ų24.21%0.00514%0.14CC..THydrogen-bonded Turntrans-62.1-32.7-172.1-165.360.96200112.7L78 T79 R80 Y137 L229 Y239 R241 F248L78-M139 WeakPolarHBondContact O-CB 3.46Å; L78-M139 PolarHBondContact O-N 3.09Å; T79-M139 WeakPolarHBondContact O-CE 3.39Å; R80-M139 HydrophobicContact CB-CB 4.4Å; R80-M139 HydrophobicContact CB-CG 4.35Å; R80-M139 HydrophobicContact CG-CB 3.98Å; R80-M139 HydrophobicContact CG-CG 4.06Å; Y137-M139 HydrophobicContact CD1-CE 4.5Å; Y137-M139 HydrophobicContact CE1-SD 4.25Å; M139-L229 HydrophobicContact CB-CD1 4.39Å; M139-L229 HydrophobicContact CG-CD1 3.93Å; M139-L229 HydrophobicContact CG-CD2 3.9Å; M139-Y239 WeakPolarHBondContact CE-O 3.48Å; M139-R241 PolarHBondContact O-NH2 3.18Å; M139-R241 HydrophobicContact SD-CG 4.15Å; M139-F248 HydrophobicContact CG-CD1 4.24Å; M139-F248 HydrophobicContact CG-CE1 3.84Å; M139-F248 HydrophobicContact SD-CD1 3.79Å; M139-F248 HydrophobicContact SD-CE1 3.68Å
140S90.9Very high95.5Very high77 Ų7728.9 Ų28.954%0.53817%0.165SC..THydrogen-bonded Turntrans-80.8-38.4179.7-61.20000112.8N138N138-S140 PolarHBondContact O-N 3.45Å; N138-S140 PolarHBondContact OD1-N 2.86Å; N138-S140 VanDerWaalsContact OD1-N 3.12Å
141L92.5Very high95.5Very high104 Ų10434.1 Ų34.155%0.54519%0.185SC..THydrogen-bonded Turntrans-78.1-29.4179.5-62.7179.6000112.6N138 E143N138-L141 HydrophobicContact CB-CB 4.13Å; N138-L141 HydrophobicContact CB-CD1 4.22Å; N138-L141 HydrophobicContact CB-CG 4.3Å; N138-L141 WeakPolarHBondContact ND2-CD1 3.48Å; N138-L141 PolarHBondContact O-N 3.25Å; N138-L141 PolarHBondContact OD1-N 3.22Å; N138-L141 VanDerWaalsContact OD1-N 3.14Å; L141-E143 HydrophobicContact CB-CG 3.87Å
142G93Very high95.5Very high22 Ų2234 Ų3423%0.22718%0.184CC..THydrogen-bonded Turntrans82.119.9-177.400000114.4Y137 N138Y137-G142 VanDerWaalsContact CE2-C 3.44Å; Y137-G142 WeakPolarHBondContact CE2-O 3.5Å; Y137-G142 VanDerWaalsContact CZ-CA 3.49Å; Y137-G142 WeakPolarHBondContact OH-CA 3.36Å; Y137-G142 PolarHBondContact OH-O 3.5Å; N138-G142 PolarHBondContact O-N 2.77Å
143E95.6Very high95.6Very high113 Ų11335 Ų3553%0.52819%0.194SC..EExtended strand (participates in β ladder)trans-151.2174.2-172.759.7-177.5-171.700111.8N138 L141N138-E143 PolarHBondContact N-O 3.45Å; L141-E143 HydrophobicContact CB-CG 3.87Å
144Y97.5Very high95.7Very high44 Ų4435 Ų3517%0.17319%0.194CC..EExtended strand (participates in β ladder)trans-65.8142.4170.9-58.4-65.5000111.3C126 I131 L136 L161 P162 V164C126-Y144 WeakPolarHBondContact CB-OH 3.39Å; I131-Y144 HydrophobicContact CD1-CE1 3.96Å; I131-Y144 HydrophobicContact CG1-CE1 3.53Å; L136-Y144 HydrophobicContact CB-CD1 4.12Å; L136-Y144 HydrophobicContact CB-CE1 4.38Å; L136-Y144 WeakPolarHBondContact O-CA 3.46Å; Y144-L161 HydrophobicContact CD1-CD1 3.79Å; Y144-L161 HydrophobicContact CD2-CB 4.17Å; Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CE1-CB 4.33Å; Y144-L161 HydrophobicContact CE1-CD1 4.21Å; Y144-L161 HydrophobicContact CE2-CB 3.96Å; Y144-L161 HydrophobicContact CG-CB 4.46Å; Y144-L161 HydrophobicContact CG-CD1 3.85Å; Y144-P162 WeakPolarHBondContact CE2-O 3.41Å; Y144-P162 PolarHBondContact OH-O 3.03Å; Y144-V164 HydrophobicContact CD2-CG2 4.31Å; Y144-V164 HydrophobicContact CE1-CG2 4.48Å; Y144-V164 HydrophobicContact CE2-CG2 3.72Å
145D95.8Very high95.9Very high28 Ų2836.5 Ų36.515%0.1521%0.206CC..  trans-125110.6178.7-174.6-15.7000110.6L136 N138 C147 L148L136-D145 PolarHBondContact O-N 3.44Å; N138-D145 HydrophobicContact CB-CB 3.72Å; N138-D145 PolarHBondContact ND2-OD2 3.32Å; D145-C147 PolarHBondContact O-N 3.21Å; D145-C147 VanDerWaalsContact O-N 3.09Å; D145-C147 WeakPolarHBondContact OD1-CB 3.36Å; D145-C147 PolarHBondContact OD1-N 2.83Å; D145-C147 PolarHBondContact OD1-SG 2.86Å; D145-C147 PolarHBondContact OD2-SG 2.77Å; D145-L148 HydrophobicContact CB-CD1 3.93Å; D145-L148 HydrophobicContact CB-CG 3.95Å; D145-L148 WeakPolarHBondContact O-CB 3.28Å; D145-L148 WeakPolarHBondContact O-CG 3.44Å; D145-L148 PolarHBondContact O-N 3.25Å
146P95.3Very high96Very high71 Ų7141 Ų4146%0.46123%0.227SC..Hα-helixtrans-56.5-23.7179.7-27.736000114.5L148 T149 D150P146-L148 PolarHBondContact O-N 2.92Å; P146-T149 PolarHBondContact O-N 2.85Å; P146-T149 PolarHBondContact O-OG1 3.47Å; P146-D150 PolarHBondContact O-N 3.1Å
147C96.3Very high96.1Very high35 Ų3541.1 Ų41.124%0.23623%0.228CC..Hα-helixtrans-65.2-30.1177.181.70000112D145 D150 W151D145-C147 PolarHBondContact O-N 3.21Å; D145-C147 VanDerWaalsContact O-N 3.09Å; D145-C147 WeakPolarHBondContact OD1-CB 3.36Å; D145-C147 PolarHBondContact OD1-N 2.83Å; D145-C147 PolarHBondContact OD1-SG 2.86Å; D145-C147 PolarHBondContact OD2-SG 2.77Å; C147-D150 PolarHBondContact O-N 3.31Å; C147-W151 VanDerWaalsContact O-CG 3.25Å; C147-W151 PolarHBondContact O-N 2.87Å
148L96.9Very high96.1Very high0 Ų043.6 Ų43.60%024%0.241CC..Hα-helixtrans-65.5-47.4177.6-54.8175.7000110L75 L78 T79 D145 P146 D150 W151 L152L75-L148 HydrophobicContact CD2-CB 4.28Å; L75-L148 HydrophobicContact CD2-CD2 3.52Å; L75-L148 HydrophobicContact CD2-CG 4.49Å; L78-L148 HydrophobicContact CB-CD2 4.16Å; L78-L148 HydrophobicContact CD1-CD2 3.93Å; T79-L148 HydrophobicContact CG2-CD1 3.78Å; T79-L148 HydrophobicContact CG2-CD2 3.79Å; T79-L148 HydrophobicContact CG2-CG 4.42Å; D145-L148 HydrophobicContact CB-CD1 3.93Å; D145-L148 HydrophobicContact CB-CG 3.95Å; D145-L148 WeakPolarHBondContact O-CB 3.28Å; D145-L148 WeakPolarHBondContact O-CG 3.44Å; D145-L148 PolarHBondContact O-N 3.25Å; P146-L148 PolarHBondContact O-N 2.92Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-D150 PolarHBondContact O-N 3.13Å; L148-W151 PolarHBondContact O-N 2.87Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CD1 3.3Å; L148-L152 WeakPolarHBondContact O-CD1 3.25Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.98Å
149T97.5Very high96.1Very high1 Ų149.6 Ų49.61%0.00627%0.269CS..Hα-helixtrans-69-31.3179.255.90000112.5L136 P146 G153 I154 A155 I157 N158L136-T149 HydrophobicContact CD2-CG2 3.45Å; L136-T149 VanDerWaalsContact CD2-CG2 3.45Å; P146-T149 PolarHBondContact O-N 2.85Å; P146-T149 PolarHBondContact O-OG1 3.47Å; T149-G153 PolarHBondContact O-N 3.29Å; T149-I154 HydrophobicContact CG2-CD1 4.41Å; T149-I154 HydrophobicContact CG2-CG1 4.19Å; T149-I154 CarbonylContact O-C 3.53Å; T149-I154 PolarHBondContact O-N 3.37Å; T149-A155 PolarHBondContact O-N 2.85Å; T149-I157 HydrophobicContact CG2-CG2 4.07Å; T149-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T149-N158 VanDerWaalsContact OG1-CG 3.23Å; T149-N158 PolarHBondContact OG1-ND2 2.98Å; T149-N158 PolarHBondContact OG1-OD1 3.17Å
150D96.9Very high96.2Very high98 Ų9849.7 Ų49.752%0.52427%0.27SS..Hα-helixtrans-62.5-50.7170.6-77.2-22.4000111.6P146 C147 L148 L152 G153 A155P146-D150 PolarHBondContact O-N 3.1Å; C147-D150 PolarHBondContact O-N 3.31Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-D150 PolarHBondContact O-N 3.13Å; D150-L152 VanDerWaalsContact C-N 3.3Å; D150-L152 PolarHBondContact O-N 3.12Å; D150-G153 PolarHBondContact O-N 3.17Å; D150-A155 WeakPolarHBondContact OD1-CB 3.48Å
151W96Very high96.5Very high111 Ų11147.4 Ų47.442%0.4225%0.251SS..Hα-helixtrans-64.3-34.8179.5-65.8-10.9000113K74 L75 L78 C147 L148 G153K74-W151 HydrophobicContact CB-CE3 4.21Å; K74-W151 HydrophobicContact CB-CZ3 4.19Å; L75-W151 HydrophobicContact CD2-CE3 3.87Å; L75-W151 HydrophobicContact CD2-CZ3 4.47Å; L75-W151 HydrophobicContact CG-CE3 4.5Å; L78-W151 HydrophobicContact CD1-CH2 3.8Å; L78-W151 HydrophobicContact CD1-CZ3 3.72Å; C147-W151 VanDerWaalsContact O-CG 3.25Å; C147-W151 PolarHBondContact O-N 2.87Å; L148-W151 PolarHBondContact O-N 2.87Å; W151-G153 PolarHBondContact O-N 2.9Å
152L97Very high96.7Very high1 Ų142.8 Ų42.81%0.00523%0.228CC..THydrogen-bonded Turntrans-79.9-5.3175.1-68.5160.9000112.5W66 I71 L75 L83 V89 L148 D150 I154W66-L152 HydrophobicContact CD2-CD2 4.12Å; W66-L152 HydrophobicContact CE3-CD2 4.12Å; W66-L152 HydrophobicContact CH2-CB 4.44Å; W66-L152 HydrophobicContact CH2-CD2 3.5Å; W66-L152 VanDerWaalsContact CH2-CD2 3.5Å; W66-L152 HydrophobicContact CZ2-CB 4.06Å; W66-L152 HydrophobicContact CZ2-CD2 3.51Å; W66-L152 HydrophobicContact CZ2-CG 4.43Å; W66-L152 WeakPolarHBondContact CZ2-O 3.41Å; W66-L152 HydrophobicContact CZ3-CD2 3.82Å; I71-L152 HydrophobicContact CG2-CD2 4.25Å; L75-L152 HydrophobicContact CD1-CD1 4.22Å; L75-L152 HydrophobicContact CD1-CD2 3.72Å; L75-L152 HydrophobicContact CD1-CG 4.03Å; L75-L152 HydrophobicContact CD2-CD1 4.41Å; L83-L152 HydrophobicContact CD1-CD2 4.24Å; V89-L152 HydrophobicContact CB-CD1 3.73Å; V89-L152 HydrophobicContact CG1-CD1 3.62Å; V89-L152 HydrophobicContact CG2-CD1 4.09Å; V89-L152 HydrophobicContact CG2-CD2 4.39Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CD1 3.3Å; L148-L152 WeakPolarHBondContact O-CD1 3.25Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.98Å; D150-L152 VanDerWaalsContact C-N 3.3Å; D150-L152 PolarHBondContact O-N 3.12Å; L152-I154 HydrophobicContact CB-CD1 4.2Å; L152-I154 HydrophobicContact CB-CG1 3.95Å; L152-I154 PolarHBondContact O-N 3.24Å
153G96.8Very high96.9Very high20 Ų2046 Ų4621%0.20624%0.244CC..THydrogen-bonded Turntrans64.137.5178.100000113.6R93 K96 T149 D150 W151R93-G153 PolarHBondContact NH1-O 3.27Å; K96-G153 WeakPolarHBondContact CD-O 3.25Å; K96-G153 PolarHBondContact NZ-O 2.86Å; T149-G153 PolarHBondContact O-N 3.29Å; D150-G153 PolarHBondContact O-N 3.17Å; W151-G153 PolarHBondContact O-N 2.9Å
154I97.9Very high97Very high0 Ų042.6 Ų42.60%023%0.231CC..  trans-130.423.5178.657.5172.9000112.1V89 L92 R93 K96 Y103 L136 T149 L152 E156 I157V89-I154 HydrophobicContact CB-CD1 4.06Å; V89-I154 HydrophobicContact CG1-CD1 4.11Å; L92-I154 HydrophobicContact CB-CD1 4.14Å; L92-I154 HydrophobicContact CB-CG2 4.4Å; L92-I154 HydrophobicContact CD1-CD1 4.19Å; R93-I154 HydrophobicContact CB-CG2 3.96Å; K96-I154 HydrophobicContact CD-CG2 4.42Å; Y103-I154 WeakPolarHBondContact OH-CA 3.45Å; Y103-I154 PolarHBondContact OH-O 3.4Å; L136-I154 HydrophobicContact CD2-CD1 4.41Å; T149-I154 HydrophobicContact CG2-CD1 4.41Å; T149-I154 HydrophobicContact CG2-CG1 4.19Å; T149-I154 CarbonylContact O-C 3.53Å; T149-I154 PolarHBondContact O-N 3.37Å; L152-I154 HydrophobicContact CB-CD1 4.2Å; L152-I154 HydrophobicContact CB-CG1 3.95Å; L152-I154 PolarHBondContact O-N 3.24Å; I154-E156 PolarHBondContact O-N 3.24Å; I154-I157 WeakPolarHBondContact O-CB 3.29Å; I154-I157 VanDerWaalsContact O-CG2 3.24Å; I154-I157 WeakPolarHBondContact O-CG2 3.41Å; I154-I157 PolarHBondContact O-N 3.17Å
155A97.9Very high97Very high32 Ų3241 Ų4126%0.26423%0.226SC..G310 helixtrans-50.2-27.6-177.400000115T149 D150 I157 N158T149-A155 PolarHBondContact O-N 2.85Å; D150-A155 WeakPolarHBondContact OD1-CB 3.48Å; A155-I157 PolarHBondContact O-N 2.98Å; A155-I157 VanDerWaalsContact O-N 3.12Å; A155-N158 PolarHBondContact O-N 3.39Å; A155-N158 PolarHBondContact O-ND2 2.93Å; A155-N158 VanDerWaalsContact O-ND2 3.13Å
156E97.4Very high97Very high95 Ų9540.4 Ų40.444%0.44423%0.227SC..G310 helixtrans-62.4-18.9178-52.385.7170.500112.4K96 Y103 I154 H159K96-E156 IonicContact NZ-OE1 3.47Å; K96-E156 PolarHBondContact NZ-OE1 3.06Å; K96-E156 IonicContact NZ-OE2 3.51Å; K96-E156 PolarHBondContact NZ-OE2 3.32Å; Y103-E156 HydrophobicContact CE1-CB 4.22Å; Y103-E156 PolarHBondContact OH-OE2 3.33Å; I154-E156 PolarHBondContact O-N 3.24Å; E156-H159 PolarHBondContact O-CE1 3.43Å; E156-H159 PolarHBondContact O-ND1 3.43Å
157I97.6Very high97.1Very high3 Ų337.3 Ų37.32%0.01521%0.207CC..G310 helixtrans-81-13.4-178-149.763.2000114.1L92 I106 V109 T149 I154 A155 H159 A160 L161L92-I157 HydrophobicContact CD1-CG1 4.09Å; L92-I157 HydrophobicContact CD1-CG2 4.34Å; L92-I157 HydrophobicContact CD2-CD1 3.96Å; L92-I157 HydrophobicContact CD2-CG1 4Å; I106-I157 HydrophobicContact CB-CD1 3.84Å; I106-I157 HydrophobicContact CD1-CD1 3.73Å; I106-I157 HydrophobicContact CG1-CD1 4.39Å; I106-I157 HydrophobicContact CG2-CD1 3.54Å; V109-I157 HydrophobicContact CG2-CD1 3.75Å; V109-I157 HydrophobicContact CG2-CG1 3.49Å; V109-I157 VanDerWaalsContact CG2-CG1 3.49Å; T149-I157 HydrophobicContact CG2-CG2 4.07Å; I154-I157 WeakPolarHBondContact O-CB 3.29Å; I154-I157 VanDerWaalsContact O-CG2 3.24Å; I154-I157 WeakPolarHBondContact O-CG2 3.41Å; I154-I157 PolarHBondContact O-N 3.17Å; A155-I157 PolarHBondContact O-N 2.98Å; A155-I157 VanDerWaalsContact O-N 3.12Å; I157-H159 PolarHBondContact O-N 3.35Å; I157-A160 HydrophobicContact CD1-CB 4.09Å; I157-A160 HydrophobicContact CG1-CB 4.37Å; I157-A160 WeakPolarHBondContact O-CA 3.46Å; I157-A160 WeakPolarHBondContact O-CB 2.99Å; I157-A160 PolarHBondContact O-N 3.05Å; I157-L161 HydrophobicContact CG2-CD2 4.48Å
158N97.7Very high97.1Very high52 Ų5237.5 Ų37.528%0.27821%0.207SC..G310 helixtrans-54-34-174-74.9-32.4000113.1T149 A155 A160T149-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T149-N158 VanDerWaalsContact OG1-CG 3.23Å; T149-N158 PolarHBondContact OG1-ND2 2.98Å; T149-N158 PolarHBondContact OG1-OD1 3.17Å; A155-N158 PolarHBondContact O-N 3.39Å; A155-N158 PolarHBondContact O-ND2 2.93Å; A155-N158 VanDerWaalsContact O-ND2 3.13Å; N158-A160 VanDerWaalsContact C-N 3.26Å; N158-A160 PolarHBondContact O-N 3.49Å
159H96.2Very high97.1Very high134 Ų13442.4 Ų42.462%0.6223%0.23SC*.G310 helixtrans-73-13.6177.975.5-79.6000114.7E156 I157E156-H159 PolarHBondContact O-CE1 3.43Å; E156-H159 PolarHBondContact O-ND1 3.43Å; I157-H159 PolarHBondContact O-N 3.35Å
160A97.8Very high97.1Very high3 Ų346 Ų463%0.02525%0.249CC..G310 helixtrans-105.34.5-176.900000112.9I106 C108 V109 I157 N158 P162I106-A160 HydrophobicContact CG2-CB 4.04Å; C108-A160 CarbonylContact C-O 3.52Å; C108-A160 WeakPolarHBondContact CA-O 3.45Å; V109-A160 HydrophobicContact CG2-CB 4.44Å; V109-A160 PolarHBondContact N-O 3.39Å; I157-A160 HydrophobicContact CD1-CB 4.09Å; I157-A160 HydrophobicContact CG1-CB 4.37Å; I157-A160 WeakPolarHBondContact O-CA 3.46Å; I157-A160 WeakPolarHBondContact O-CB 2.99Å; I157-A160 PolarHBondContact O-N 3.05Å; N158-A160 VanDerWaalsContact C-N 3.26Å; N158-A160 PolarHBondContact O-N 3.49Å; A160-P162 WeakPolarHBondContact O-CD 3.44Å
161L97.9Very high97.2Very high29 Ų2941.6 Ų41.615%0.15223%0.226CC..PPolyproline II helixtrans-80.4118.7174.6-58.3-178.4000109.4V109 L136 Y144 I157V109-L161 HydrophobicContact CB-CD2 4.19Å; V109-L161 HydrophobicContact CG2-CD2 4.44Å; L136-L161 HydrophobicContact CD1-CD2 3.85Å; Y144-L161 HydrophobicContact CD1-CD1 3.79Å; Y144-L161 HydrophobicContact CD2-CB 4.17Å; Y144-L161 HydrophobicContact CD2-CD1 4.36Å; Y144-L161 HydrophobicContact CE1-CB 4.33Å; Y144-L161 HydrophobicContact CE1-CD1 4.21Å; Y144-L161 HydrophobicContact CE2-CB 3.96Å; Y144-L161 HydrophobicContact CG-CB 4.46Å; Y144-L161 HydrophobicContact CG-CD1 3.85Å; I157-L161 HydrophobicContact CG2-CD2 4.48Å
162P96.9Very high97.2Very high7 Ų737.1 Ų37.15%0.04521%0.214CC..PPolyproline II helixtrans-77.1160.8178.834.1-36.5000111.1V109 M110 K124 C126 Y144 A160V109-P162 WeakPolarHBondContact O-CD 3.19Å; V109-P162 WeakPolarHBondContact O-CG 3.36Å; M110-P162 HydrophobicContact CG-CG 4.47Å; K124-P162 HydrophobicContact CB-CB 4.05Å; C126-P162 HydrophobicContact CB-CG 4.11Å; C126-P162 WeakPolarHBondContact SG-CG 3.45Å; Y144-P162 WeakPolarHBondContact CE2-O 3.41Å; Y144-P162 PolarHBondContact OH-O 3.03Å; A160-P162 WeakPolarHBondContact O-CD 3.44Å
163P97.2Very high97.3Very high88 Ų8842.3 Ų42.357%0.57124%0.238SC*.PPolyproline II helixtrans-53.3144.8177.9-25.234.5000113.1G125 C126G125-P163 CarbonylContact C-O 3.49Å; G125-P163 WeakPolarHBondContact CA-O 3.29Å; C126-P163 PolarHBondContact N-O 3.01Å
164V97.3Very high97.4Very high42 Ų4241.5 Ų41.526%0.25523%0.229SC..EExtended strand (participates in β ladder)trans-75.4136.9171.6-178.80000108.8C126 E128 I131 Y137 Y144C126-V164 CarbonylContact O-C 3.58Å; C126-V164 VanDerWaalsContact O-CA 3.31Å; C126-V164 WeakPolarHBondContact O-CA 3.46Å; E128-V164 HydrophobicContact CB-CG1 3.78Å; E128-V164 HydrophobicContact CG-CG1 3.93Å; I131-V164 HydrophobicContact CG2-CG1 4.17Å; I131-V164 HydrophobicContact CG2-CG2 4.23Å; Y137-V164 HydrophobicContact CE2-CG1 4.45Å; Y137-V164 HydrophobicContact CE2-CG2 4.45Å; Y144-V164 HydrophobicContact CD2-CG2 4.31Å; Y144-V164 HydrophobicContact CE1-CG2 4.48Å; Y144-V164 HydrophobicContact CE2-CG2 3.72Å
165V96.6Very high97.3Very high10 Ų1043.8 Ų43.86%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-127.3141.9177.2-62.80000110.8C126 E127 E128 E169 C171C126-V165 PolarHBondContact O-N 3.47Å; E127-V165 CarbonylContact C-O 3.56Å; E127-V165 VanDerWaalsContact CA-O 3.31Å; E127-V165 WeakPolarHBondContact CA-O 3.24Å; E127-V165 HydrophobicContact CB-CG2 4.33Å; E128-V165 PolarHBondContact N-O 3.06Å; V165-E169 WeakPolarHBondContact CA-OE2 3.11Å; V165-C171 HydrophobicContact CB-CB 4.48Å; V165-C171 HydrophobicContact CG1-CB 4.26Å; V165-C171 HydrophobicContact CG2-CB 4.29Å
166G96.2Very high97.3Very high17 Ų1745.6 Ų45.618%0.17526%0.258CS..  trans-71.5157.9177.600000112.9E169G166-E169 PolarHBondContact N-OE2 2.98Å; G166-E169 WeakPolarHBondContact O-CB 3.41Å; G166-E169 PolarHBondContact O-N 2.94Å
167S96.8Very high97.2Very high6 Ų648 Ų484%0.04227%0.269CS..THydrogen-bonded Turntrans-56.7-43.4-178.7-44.80000114.6E127 G192 G193E127-S167 WeakPolarHBondContact OE1-CB 3.49Å; E127-S167 PolarHBondContact OE1-OG 2.97Å; S167-G192 PolarHBondContact O-N 3.25Å; S167-G193 WeakPolarHBondContact CA-O 3.46Å; S167-G193 VanDerWaalsContact CB-O 3.23Å; S167-G193 WeakPolarHBondContact CB-O 3.27Å; S167-G193 PolarHBondContact O-N 3.38Å; S167-G193 VanDerWaalsContact O-N 3.08Å
168P96.8Very high97.2Very high38 Ų3848.3 Ų48.325%0.24727%0.271CS..THydrogen-bonded Turntrans-91.90.1175.337.9-33.2000113I170 V191 V393 G394 F401P168-I170 PolarHBondContact O-N 3.4Å; P168-V191 WeakPolarHBondContact O-CG1 3.28Å; P168-V393 HydrophobicContact CB-CB 4.02Å; P168-V393 HydrophobicContact CB-CG1 3.72Å; P168-V393 HydrophobicContact CG-CG1 4.25Å; P168-G394 WeakPolarHBondContact O-CA 3.37Å; P168-F401 HydrophobicContact CB-CE2 4.03Å; P168-F401 HydrophobicContact CB-CZ 4.11Å; P168-F401 HydrophobicContact CG-CE2 3.81Å; P168-F401 HydrophobicContact CG-CZ 4.33Å
169E97.3Very high97.1Very high103 Ų10346.6 Ų46.648%0.48126%0.264SS..SBendtrans-71.9129.8-177.6-171.5-177.2167.500110.6V165 G166 C171 V191 G192V165-E169 WeakPolarHBondContact CA-OE2 3.11Å; G166-E169 PolarHBondContact N-OE2 2.98Å; G166-E169 WeakPolarHBondContact O-CB 3.41Å; G166-E169 PolarHBondContact O-N 2.94Å; E169-C171 PolarHBondContact O-N 3.27Å; E169-V191 CarbonylContact O-C 3.37Å; E169-V191 WeakPolarHBondContact O-CA 3.27Å; E169-G192 PolarHBondContact O-N 3.39Å
170I98.1Very high97Very high76 Ų7646 Ų4639%0.3927%0.27SS..EExtended strand (participates in β ladder)trans-68115.5177.2-63.6170.3000109.2P168 P189 V191P168-I170 PolarHBondContact O-N 3.4Å; I170-P189 HydrophobicContact CD1-CB 3.94Å; I170-P189 HydrophobicContact CD1-CG 4.42Å; I170-P189 HydrophobicContact CG1-CB 4.1Å; I170-P189 HydrophobicContact CG2-CB 4.1Å; I170-V191 HydrophobicContact CG1-CG1 4.31Å
171C97.3Very high96.8Very high7 Ų748.8 Ų48.85%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-115.362.4179.3-174.30000109.9R117 T121 V165 E169 V190R117-C171 PolarHBondContact NE-SG 2.93Å; R117-C171 VanDerWaalsContact NE-SG 3.4Å; T121-C171 PolarHBondContact OG1-O 3.23Å; V165-C171 HydrophobicContact CB-CB 4.48Å; V165-C171 HydrophobicContact CG1-CB 4.26Å; V165-C171 HydrophobicContact CG2-CB 4.29Å; E169-C171 PolarHBondContact O-N 3.27Å; C171-V190 CarbonylContact C-O 3.46Å; C171-V190 PolarHBondContact N-O 3.28Å
172G97.6Very high96.7Very high16 Ų1647.4 Ų47.417%0.16528%0.277CS..EExtended strand (participates in β ladder)trans95.9-178.1179.600000114.1V190G172-V190 PolarHBondContact O-N 2.94Å
173E98.3Very high96.5Very high110 Ų11049.2 Ų49.251%0.51430%0.296SS..EExtended strand (participates in β ladder)trans-134.6156.6-174.2-65171.5-172.700110.1T121 T175 G187 T188T121-E173 VanDerWaalsContact CA-O 3.32Å; T121-E173 WeakPolarHBondContact CA-O 3.23Å; E173-T175 PolarHBondContact O-N 2.9Å; E173-T175 VanDerWaalsContact O-N 3.12Å; E173-G187 WeakPolarHBondContact OE2-CA 3.37Å; E173-T188 CarbonylContact C-O 3.49Å; E173-T188 VanDerWaalsContact CA-O 3.29Å; E173-T188 WeakPolarHBondContact CA-O 3.3Å
174I98.2Very high96.5Very high3 Ų345.6 Ų45.62%0.01527%0.272CS..  trans-56.2119.1173.8-64.4-59.4000110I29 L120 I178 A179 L184 K185 A186 G187 T188 V190I29-I174 HydrophobicContact CD1-CD1 3.72Å; I29-I174 HydrophobicContact CD1-CG1 3.79Å; L120-I174 HydrophobicContact CB-CD1 3.92Å; L120-I174 HydrophobicContact CD2-CD1 3.75Å; L120-I174 HydrophobicContact CG-CD1 4.3Å; I174-I178 HydrophobicContact CD1-CG2 4.28Å; I174-I178 HydrophobicContact CG2-CB 4.2Å; I174-I178 HydrophobicContact CG2-CG2 4.04Å; I174-A179 HydrophobicContact CG2-CB 4.19Å; I174-L184 HydrophobicContact CD1-CD1 3.89Å; I174-L184 HydrophobicContact CG1-CB 4.45Å; I174-L184 HydrophobicContact CG1-CD1 4.19Å; I174-L184 HydrophobicContact CG2-CB 4.17Å; I174-K185 WeakPolarHBondContact CB-O 3.48Å; I174-K185 WeakPolarHBondContact CG2-O 3.39Å; I174-A186 CarbonylContact O-C 3.58Å; I174-A186 WeakPolarHBondContact O-CA 3.28Å; I174-G187 PolarHBondContact O-N 2.86Å; I174-T188 HydrophobicContact CG1-CG2 4.41Å; I174-T188 PolarHBondContact N-O 3.22Å; I174-V190 HydrophobicContact CD1-CG2 3.82Å; I174-V190 HydrophobicContact CG1-CG2 4.13Å
175T97.3Very high96.5Very high49 Ų4947.9 Ų47.930%0.30128%0.279SS..  trans-72.3157.7178.472.30000111.6L120 T121 E173 Q177 I178 A179L120-T175 PolarHBondContact O-N 3.5Å; T121-T175 WeakPolarHBondContact O-CG2 3.28Å; E173-T175 PolarHBondContact O-N 2.9Å; E173-T175 VanDerWaalsContact O-N 3.12Å; T175-Q177 PolarHBondContact O-N 3.29Å; T175-I178 PolarHBondContact O-N 3.4Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.5Å; T175-I178 PolarHBondContact OG1-N 3.44Å; T175-A179 PolarHBondContact O-N 3.24Å
176A96.6Very high96.5Very high70 Ų7049.7 Ų49.758%0.57929%0.294SS*.Hα-helixtrans-56.7-34.6176.400000113.3V180 A186A176-V180 WeakPolarHBondContact O-CG2 3.37Å; A176-V180 PolarHBondContact O-N 3.14Å; A176-A186 HydrophobicContact CB-CB 4.47Å
177Q96Very high96.6Very high145 Ų14550.3 Ų50.368%0.67830%0.301SS*.Hα-helixtrans-66.7-42.9176-176.1178.96.300111.4T175 V180 L181T175-Q177 PolarHBondContact O-N 3.29Å; Q177-V180 PolarHBondContact O-N 3.08Å; Q177-L181 HydrophobicContact CG-CD1 4.38Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.8Å
178I96.5Very high96.6Very high9 Ų950.2 Ų50.25%0.04630%0.3CS..Hα-helixtrans-71.4-35.6-179.8-65.2-36.8000111.7W5 C119 L120 I174 T175 V180 L181 T182W5-I178 HydrophobicContact CH2-CD1 4.33Å; W5-I178 HydrophobicContact CH2-CG2 4.4Å; W5-I178 HydrophobicContact CZ2-CD1 3.63Å; W5-I178 HydrophobicContact CZ2-CG1 4.39Å; C119-I178 WeakPolarHBondContact O-CG1 3.35Å; L120-I178 HydrophobicContact CD2-CG2 3.83Å; I174-I178 HydrophobicContact CD1-CG2 4.28Å; I174-I178 HydrophobicContact CG2-CB 4.2Å; I174-I178 HydrophobicContact CG2-CG2 4.04Å; T175-I178 PolarHBondContact O-N 3.4Å; T175-I178 WeakPolarHBondContact OG1-CG1 3.5Å; T175-I178 PolarHBondContact OG1-N 3.44Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.48Å; I178-L181 HydrophobicContact CD1-CD1 4.17Å; I178-L181 PolarHBondContact O-N 2.92Å; I178-T182 HydrophobicContact CG2-CG2 3.84Å; I178-T182 WeakPolarHBondContact O-CB 3.22Å; I178-T182 PolarHBondContact O-N 2.89Å; I178-T182 PolarHBondContact O-OG1 2.92Å
179A96.4Very high96.7Very high16 Ų1649.8 Ų49.813%0.13230%0.297CS..Hα-helixtrans-53.3-4817300000111.8I174 T175 L181 T182 G183 L184 A186I174-A179 HydrophobicContact CG2-CB 4.19Å; T175-A179 PolarHBondContact O-N 3.24Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3.5Å; A179-T182 PolarHBondContact O-N 3.33Å; A179-G183 WeakPolarHBondContact O-CA 3.37Å; A179-G183 PolarHBondContact O-N 3.32Å; A179-L184 WeakPolarHBondContact CA-O 3.45Å; A179-L184 WeakPolarHBondContact CB-O 3.49Å; A179-A186 HydrophobicContact CB-CB 3.89Å
180V94.7Very high96.8Very high122 Ų12244.9 Ų44.974%0.73927%0.274SS*.Hα-helixtrans-62.4-36.5176.61750000112.3A176 Q177 I178A176-V180 WeakPolarHBondContact O-CG2 3.37Å; A176-V180 PolarHBondContact O-N 3.14Å; Q177-V180 PolarHBondContact O-N 3.08Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.48Å
181L93.4Very high96.8Very high62 Ų6241.2 Ų41.233%0.32526%0.256SS..Hα-helixtrans-80.6-27.5-176.9-67.3175.2000113.4M9 R13 Q177 I178 A179M9-L181 HydrophobicContact SD-CB 3.98Å; M9-L181 HydrophobicContact SD-CD1 3.89Å; R13-L181 PolarHBondContact NE-O 3.41Å; R13-L181 PolarHBondContact NH2-O 3.47Å; Q177-L181 HydrophobicContact CG-CD1 4.38Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 2.8Å; I178-L181 HydrophobicContact CD1-CD1 4.17Å; I178-L181 PolarHBondContact O-N 2.92Å; A179-L181 VanDerWaalsContact C-N 3.3Å; A179-L181 PolarHBondContact O-N 3.5Å
182T94.9Very high96.8Very high0 Ų040.9 Ų40.90%025%0.254CS..Hα-helixtrans-109.6-25.2-17257.50000113.3M9 I12 I178 A179 L184M9-T182 HydrophobicContact CB-CG2 4.36Å; M9-T182 HydrophobicContact CG-CG2 4.1Å; I12-T182 HydrophobicContact CD1-CG2 4.29Å; I12-T182 HydrophobicContact CG2-CG2 4.35Å; I178-T182 HydrophobicContact CG2-CG2 3.84Å; I178-T182 WeakPolarHBondContact O-CB 3.22Å; I178-T182 PolarHBondContact O-N 2.89Å; I178-T182 PolarHBondContact O-OG1 2.92Å; A179-T182 PolarHBondContact O-N 3.33Å; T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 WeakPolarHBondContact OG1-CB 3.48Å; T182-L184 PolarHBondContact OG1-N 2.97Å
183G93.9Very high96.7Very high45 Ų4540.1 Ų40.146%0.46425%0.246SC..SBendtrans86.8-1-16900000113.6G23 A179G23-G183 WeakPolarHBondContact CA-O 3.3Å; A179-G183 WeakPolarHBondContact O-CA 3.37Å; A179-G183 PolarHBondContact O-N 3.32Å
184L96.4Very high96.6Very high12 Ų1234.9 Ų34.96%0.06322%0.221CC..PPolyproline II helixtrans-71158.2172.1-66.6168.1000111.3I12 L16 I26 I29 I174 A179 T182I12-L184 HydrophobicContact CD1-CD1 4.48Å; I12-L184 HydrophobicContact CG2-CD1 3.82Å; I12-L184 HydrophobicContact CG2-CD2 4.29Å; I12-L184 HydrophobicContact CG2-CG 3.87Å; L16-L184 HydrophobicContact CD1-CD2 4.14Å; L16-L184 HydrophobicContact CD1-CG 4.36Å; I26-L184 HydrophobicContact CB-CD2 4.31Å; I26-L184 HydrophobicContact CG1-CD2 4.08Å; I26-L184 HydrophobicContact CG2-CD2 4.28Å; I29-L184 HydrophobicContact CD1-CD1 3.53Å; I29-L184 HydrophobicContact CD1-CD2 4.1Å; I29-L184 HydrophobicContact CD1-CG 4.4Å; I174-L184 HydrophobicContact CD1-CD1 3.89Å; I174-L184 HydrophobicContact CG1-CB 4.45Å; I174-L184 HydrophobicContact CG1-CD1 4.19Å; I174-L184 HydrophobicContact CG2-CB 4.17Å; A179-L184 WeakPolarHBondContact CA-O 3.45Å; A179-L184 WeakPolarHBondContact CB-O 3.49Å; T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 WeakPolarHBondContact OG1-CB 3.48Å; T182-L184 PolarHBondContact OG1-N 2.97Å
185K96.6Very high96.3Very high90 Ų9035.3 Ų35.339%0.39122%0.223SC..PPolyproline II helixtrans-75.6135.7174.1-176.8-167.8-174143.80110.9E24 I174 G187 T188E24-K185 WeakPolarHBondContact OE2-CD 3.46Å; E24-K185 WeakPolarHBondContact OE2-CE 3.25Å; E24-K185 IonicContact OE2-NZ 2.64Å; E24-K185 PolarHBondContact OE2-NZ 3.29Å; I174-K185 WeakPolarHBondContact CB-O 3.48Å; I174-K185 WeakPolarHBondContact CG2-O 3.39Å; K185-G187 PolarHBondContact O-N 3.15Å; K185-T188 WeakPolarHBondContact O-CB 3.44Å; K185-T188 PolarHBondContact O-N 3.27Å; K185-T188 PolarHBondContact O-OG1 3.26Å; K185-T188 VanDerWaalsContact O-OG1 3.12Å
186A97.5Very high96Very high47 Ų4735.7 Ų35.739%0.38822%0.223SC..THydrogen-bonded Turntrans-65.3133.9169.900000110I174 A176 A179I174-A186 CarbonylContact O-C 3.58Å; I174-A186 WeakPolarHBondContact O-CA 3.28Å; A176-A186 HydrophobicContact CB-CB 4.47Å; A179-A186 HydrophobicContact CB-CB 3.89Å
187G97.6Very high95.7Very high31 Ų3133.7 Ų33.732%0.3220%0.204SC..THydrogen-bonded Turntrans90.4-1.4-174.500000114.6E173 I174 K185 P189E173-G187 WeakPolarHBondContact OE2-CA 3.37Å; I174-G187 PolarHBondContact O-N 2.86Å; K185-G187 PolarHBondContact O-N 3.15Å; G187-P189 WeakPolarHBondContact O-CD 3.43Å
188T98.2Very high95.5Very high4 Ų426.8 Ų26.83%0.02517%0.172CC..  trans-61.7124.1171.7-66.40000109.8I26 I29 E173 I174 K185I26-T188 HydrophobicContact CG2-CG2 4.13Å; I26-T188 WeakPolarHBondContact O-CG2 3.42Å; I26-T188 PolarHBondContact O-OG1 3.26Å; I29-T188 HydrophobicContact CD1-CG2 3.96Å; I29-T188 HydrophobicContact CG1-CG2 4.05Å; E173-T188 CarbonylContact C-O 3.49Å; E173-T188 VanDerWaalsContact CA-O 3.29Å; E173-T188 WeakPolarHBondContact CA-O 3.3Å; I174-T188 HydrophobicContact CG1-CG2 4.41Å; I174-T188 PolarHBondContact N-O 3.22Å; K185-T188 WeakPolarHBondContact O-CB 3.44Å; K185-T188 PolarHBondContact O-N 3.27Å; K185-T188 PolarHBondContact O-OG1 3.26Å; K185-T188 VanDerWaalsContact O-OG1 3.12Å
189P98.3Very high95.3Very high28 Ų2826.4 Ų26.418%0.18217%0.169CC..EExtended strand (participates in β ladder)trans-61.1141178.7-22.932.2000113.1V27 G28 I29 I170 G187 T395V27-P189 WeakPolarHBondContact O-CD 3.22Å; G28-P189 WeakPolarHBondContact CA-O 3.35Å; I29-P189 PolarHBondContact N-O 3.41Å; I170-P189 HydrophobicContact CD1-CB 3.94Å; I170-P189 HydrophobicContact CD1-CG 4.42Å; I170-P189 HydrophobicContact CG1-CB 4.1Å; I170-P189 HydrophobicContact CG2-CB 4.1Å; G187-P189 WeakPolarHBondContact O-CD 3.43Å; P189-T395 HydrophobicContact CB-CG2 4.22Å; P189-T395 HydrophobicContact CG-CG2 4.32Å
190V98.5Very high95Very high0 Ų026.4 Ų26.40%017%0.168CC..EExtended strand (participates in β ladder)trans-122.2119.4172.3-168.60000109.1I29 R117 L120 T121 C171 G172 I174I29-V190 HydrophobicContact CB-CG1 4.29Å; I29-V190 HydrophobicContact CB-CG2 4.27Å; I29-V190 HydrophobicContact CG2-CG1 4.19Å; I29-V190 CarbonylContact O-C 3.57Å; I29-V190 WeakPolarHBondContact O-CA 3.31Å; R117-V190 HydrophobicContact CG-CG1 3.87Å; L120-V190 HydrophobicContact CD1-CG1 4.4Å; T121-V190 HydrophobicContact CG2-CB 3.6Å; T121-V190 HydrophobicContact CG2-CG1 4.25Å; T121-V190 HydrophobicContact CG2-CG2 3.5Å; C171-V190 CarbonylContact C-O 3.46Å; C171-V190 PolarHBondContact N-O 3.28Å; G172-V190 PolarHBondContact O-N 2.94Å; I174-V190 HydrophobicContact CD1-CG2 3.82Å; I174-V190 HydrophobicContact CG1-CG2 4.13Å
191V98.2Very high94.7Very high0 Ų020.6 Ų20.60%013%0.133CC..EExtended strand (participates in β ladder)trans-83.4170.1-178.2-580000112.2I29 R117 P168 E169 I170 G193 A390 A391I29-V191 PolarHBondContact O-N 3.1Å; R117-V191 WeakPolarHBondContact CD-O 3.43Å; P168-V191 WeakPolarHBondContact O-CG1 3.28Å; E169-V191 CarbonylContact O-C 3.37Å; E169-V191 WeakPolarHBondContact O-CA 3.27Å; I170-V191 HydrophobicContact CG1-CG1 4.31Å; V191-G193 VanDerWaalsContact C-N 3.27Å; V191-G193 PolarHBondContact O-N 3.13Å; V191-A390 HydrophobicContact CG2-CB 4.16Å; V191-A391 HydrophobicContact CG2-CB 4.41Å
192G97Very high94.6Very high0 Ų017.7 Ų17.70%012%0.118CC..  trans-49.3-46.7175.400000112.7R117 S167 E169R117-G192 PolarHBondContact NH1-O 2.77Å; S167-G192 PolarHBondContact O-N 3.25Å; E169-G192 PolarHBondContact O-N 3.39Å
193G95.9Very high94.2Very high0 Ų018.4 Ų18.40%012%0.122CC..  trans94.8-157-17900000112.2I31 E127 S167 V191I31-G193 CarbonylContact O-C 3.46Å; I31-G193 WeakPolarHBondContact O-CA 3.4Å; E127-G193 VanDerWaalsContact CD-O 3.3Å; E127-G193 WeakPolarHBondContact CG-O 3.48Å; S167-G193 WeakPolarHBondContact CA-O 3.46Å; S167-G193 VanDerWaalsContact CB-O 3.23Å; S167-G193 WeakPolarHBondContact CB-O 3.27Å; S167-G193 PolarHBondContact O-N 3.38Å; S167-G193 VanDerWaalsContact O-N 3.08Å; V191-G193 VanDerWaalsContact C-N 3.27Å; V191-G193 PolarHBondContact O-N 3.13Å
194L95.6Very high93.7Very high0 Ų016.5 Ų16.50%010%0.102CC..EExtended strand (participates in β ladder)trans-146.4143.5-172.2-63.9170.7000112.5I31 S32 A33 V198 L202 V243 G386 A390I31-L194 PolarHBondContact O-N 3.13Å; S32-L194 VanDerWaalsContact CA-O 3.24Å; S32-L194 WeakPolarHBondContact CA-O 3.29Å; S32-L194 PolarHBondContact OG-O 2.85Å; A33-L194 PolarHBondContact N-O 3.31Å; L194-V198 HydrophobicContact CD2-CG1 4.07Å; L194-L202 HydrophobicContact CD1-CD2 3.95Å; L194-V243 HydrophobicContact CD2-CG1 3.4Å; L194-G386 VanDerWaalsContact CD1-O 3.24Å; L194-G386 WeakPolarHBondContact CD1-O 3.49Å; L194-A390 HydrophobicContact CD1-CB 4.25Å; L194-A390 HydrophobicContact CG-CB 4.27Å
195F93.8Very high93.2Very high11 Ų1116.3 Ų16.35%0.04810%0.103CC..EExtended strand (participates in β ladder)trans-60.5134.4154.8175.4-152.9000109.9G35 S129 N130 E133 V197 V198 S199G35-F195 VanDerWaalsContact N-CD2 3.31Å; S129-F195 WeakPolarHBondContact OG-CB 3.19Å; S129-F195 PolarHBondContact OG-N 3.24Å; N130-F195 HydrophobicContact CB-CB 4.14Å; E133-F195 WeakPolarHBondContact OE1-CE1 3.42Å; E133-F195 WeakPolarHBondContact OE2-CE1 3.32Å; F195-V197 VanDerWaalsContact C-N 3.3Å; F195-V197 HydrophobicContact CD1-CB 4.07Å; F195-V197 HydrophobicContact CE1-CB 3.59Å; F195-V197 HydrophobicContact CE1-CG1 4.38Å; F195-V197 HydrophobicContact CE1-CG2 3.87Å; F195-V197 HydrophobicContact CE2-CB 4.05Å; F195-V197 HydrophobicContact CE2-CG2 3.71Å; F195-V197 HydrophobicContact CG-CB 4.49Å; F195-V197 HydrophobicContact CZ-CB 3.57Å; F195-V197 HydrophobicContact CZ-CG2 3.3Å; F195-V197 PolarHBondContact O-N 3.48Å; F195-V198 HydrophobicContact CB-CB 4.3Å; F195-V198 HydrophobicContact CB-CG2 4.16Å; F195-V198 HydrophobicContact CD1-CG2 3.96Å; F195-V198 HydrophobicContact CG-CG2 4.47Å; F195-V198 WeakPolarHBondContact O-CA 3.31Å; F195-V198 WeakPolarHBondContact O-CB 3.48Å; F195-V198 PolarHBondContact O-N 2.61Å; F195-S199 PolarHBondContact O-N 3.42Å
196D90.4Very high92.6Very high58 Ų5812 Ų1231%0.319%0.085SC..Hα-helixtrans-56.4-34.6-17762.6-7.5000114.9S32 A33 Q34 S199 T200S32-D196 WeakPolarHBondContact OG-CA 3.04Å; A33-D196 PolarHBondContact O-N 3.14Å; Q34-D196 WeakPolarHBondContact CA-OD2 3.25Å; D196-S199 PolarHBondContact O-N 3.04Å; D196-T200 WeakPolarHBondContact O-CB 3.34Å; D196-T200 PolarHBondContact O-N 2.88Å; D196-T200 PolarHBondContact O-OG1 2.78Å
197V89.5Confident91.8Very high28 Ų2813.2 Ų13.217%0.178%0.082CC..Hα-helixtrans-65.8-40.6173.5176.20000111.4F195 T200 A201 V221 I249F195-V197 VanDerWaalsContact C-N 3.3Å; F195-V197 HydrophobicContact CD1-CB 4.07Å; F195-V197 HydrophobicContact CE1-CB 3.59Å; F195-V197 HydrophobicContact CE1-CG1 4.38Å; F195-V197 HydrophobicContact CE1-CG2 3.87Å; F195-V197 HydrophobicContact CE2-CB 4.05Å; F195-V197 HydrophobicContact CE2-CG2 3.71Å; F195-V197 HydrophobicContact CG-CB 4.49Å; F195-V197 HydrophobicContact CZ-CB 3.57Å; F195-V197 HydrophobicContact CZ-CG2 3.3Å; F195-V197 PolarHBondContact O-N 3.48Å; V197-T200 PolarHBondContact O-N 2.82Å; V197-A201 PolarHBondContact O-N 3.46Å; V197-V221 HydrophobicContact CG1-CG1 4.46Å; V197-I249 HydrophobicContact CG1-CD1 4.09Å
198V92.9Very high91.2Very high0 Ų014.7 Ų14.70%08%0.083CC..Hα-helixtrans-68.5-42176.4173.50000110.5L194 F195 T200 A201 L202 Y242 V243 I249L194-V198 HydrophobicContact CD2-CG1 4.07Å; F195-V198 HydrophobicContact CB-CB 4.3Å; F195-V198 HydrophobicContact CB-CG2 4.16Å; F195-V198 HydrophobicContact CD1-CG2 3.96Å; F195-V198 HydrophobicContact CG-CG2 4.47Å; F195-V198 WeakPolarHBondContact O-CA 3.31Å; F195-V198 WeakPolarHBondContact O-CB 3.48Å; F195-V198 PolarHBondContact O-N 2.61Å; V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 2.8Å; V198-A201 PolarHBondContact O-N 3.44Å; V198-L202 WeakPolarHBondContact O-CB 3.36Å; V198-L202 PolarHBondContact O-N 2.85Å; V198-Y242 HydrophobicContact CG1-CD2 3.81Å; V198-Y242 HydrophobicContact CG1-CE2 3.88Å; V198-V243 HydrophobicContact CG1-CG1 3.59Å; V198-I249 HydrophobicContact CG2-CD1 4.19Å; V198-I249 HydrophobicContact CG2-CG2 3.91Å
199S92.3Very high90.9Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-57.9-43.5173.1-164.40000111.6S32 F195 D196 L202 C203 T382 G383 G386S32-S199 WeakPolarHBondContact OG-CB 3.21Å; F195-S199 PolarHBondContact O-N 3.42Å; D196-S199 PolarHBondContact O-N 3.04Å; S199-L202 PolarHBondContact O-N 2.72Å; S199-C203 WeakPolarHBondContact O-CB 3.45Å; S199-C203 PolarHBondContact O-N 2.96Å; S199-C203 PolarHBondContact O-SG 3.02Å; S199-T382 PolarHBondContact OG-O 2.97Å; S199-G383 PolarHBondContact OG-O 3.23Å; S199-G383 VanDerWaalsContact OG-O 3.04Å; S199-G386 VanDerWaalsContact OG-CA 3.28Å; S199-G386 WeakPolarHBondContact OG-CA 3.41Å
200T88.6Confident90.6Very high17 Ų1720.1 Ų20.110%0.10410%0.104CC..Hα-helixtrans-64.8-44.2176.3-590000112D196 V197 V198 L202 C203 A204 V215 T382D196-T200 WeakPolarHBondContact O-CB 3.34Å; D196-T200 PolarHBondContact O-N 2.88Å; D196-T200 PolarHBondContact O-OG1 2.78Å; V197-T200 PolarHBondContact O-N 2.82Å; V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 2.8Å; T200-L202 PolarHBondContact O-N 2.91Å; T200-C203 PolarHBondContact O-N 2.86Å; T200-A204 VanDerWaalsContact O-CB 3.32Å; T200-A204 WeakPolarHBondContact O-CB 2.97Å; T200-A204 PolarHBondContact O-N 3.44Å; T200-V215 HydrophobicContact CG2-CG2 3.84Å; T200-T382 HydrophobicContact CG2-CG2 4.42Å; T200-T382 PolarHBondContact OG1-OG1 3.17Å; T200-T382 VanDerWaalsContact OG1-OG1 3.12Å
201A89.7Confident90.4Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-63.8-39.8176.300000112.5V197 V198 A204 G205 I206 Y242 I249V197-A201 PolarHBondContact O-N 3.46Å; V198-A201 PolarHBondContact O-N 3.44Å; A201-A204 PolarHBondContact O-N 3.47Å; A201-G205 PolarHBondContact O-N 2.95Å; A201-I206 HydrophobicContact CB-CD1 3.95Å; A201-I206 PolarHBondContact O-N 3.26Å; A201-Y242 HydrophobicContact CB-CE2 4.18Å; A201-I249 HydrophobicContact CB-CD1 3.74Å
202L90.3Very high90.2Very high1 Ų120.4 Ų20.41%0.00511%0.106CC..Hα-helixtrans-60.2-49173.5174.769.7000111.5L194 V198 S199 T200 A204 G205 Y242 V243 L389 F401 Q405L194-L202 HydrophobicContact CD1-CD2 3.95Å; V198-L202 WeakPolarHBondContact O-CB 3.36Å; V198-L202 PolarHBondContact O-N 2.85Å; S199-L202 PolarHBondContact O-N 2.72Å; T200-L202 PolarHBondContact O-N 2.91Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 3.23Å; L202-G205 PolarHBondContact O-N 3.21Å; L202-Y242 WeakPolarHBondContact CA-OH 3.43Å; L202-Y242 PolarHBondContact N-OH 3.01Å; L202-V243 HydrophobicContact CD1-CG2 4.06Å; L202-L389 HydrophobicContact CD2-CB 4.16Å; L202-L389 HydrophobicContact CD2-CD1 4.09Å; L202-L389 HydrophobicContact CG-CD1 4.18Å; L202-F401 HydrophobicContact CD1-CB 4.11Å; L202-F401 HydrophobicContact CD1-CD1 3.78Å; L202-F401 HydrophobicContact CD1-CG 4.25Å; L202-F401 HydrophobicContact CD2-CD1 3.74Å; L202-F401 HydrophobicContact CD2-CE1 3.79Å; L202-F401 HydrophobicContact CG-CD1 4.44Å; L202-Q405 HydrophobicContact CD1-CG 3.74Å; L202-Q405 PolarHBondContact O-NE2 3.47Å
203C87.5Confident90.1Very high15 Ų1520.5 Ų20.510%0.10111%0.106CC..Hα-helixtrans-68.6-28.5178.7-67.10000113.1S199 T200 G205 V379 T382 F385 G386S199-C203 WeakPolarHBondContact O-CB 3.45Å; S199-C203 PolarHBondContact O-N 2.96Å; S199-C203 PolarHBondContact O-SG 3.02Å; T200-C203 PolarHBondContact O-N 2.86Å; C203-G205 PolarHBondContact O-N 3.24Å; C203-V379 HydrophobicContact CB-CG1 4.31Å; C203-T382 HydrophobicContact CB-CG2 3.87Å; C203-T382 PolarHBondContact SG-O 2.89Å; C203-F385 HydrophobicContact CB-CD1 4.41Å; C203-G386 VanDerWaalsContact SG-CA 3.57Å; C203-G386 PolarHBondContact SG-N 3.43Å
204A84Confident89.9Confident4 Ų420.6 Ų20.63%0.03311%0.107CC..THydrogen-bonded Turntrans-71.1-8.9170.400000112.6T200 A201 L202 I206 N213 R351 P377T200-A204 VanDerWaalsContact O-CB 3.32Å; T200-A204 WeakPolarHBondContact O-CB 2.97Å; T200-A204 PolarHBondContact O-N 3.44Å; A201-A204 PolarHBondContact O-N 3.47Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 3.23Å; A204-I206 HydrophobicContact CB-CG1 4.25Å; A204-N213 HydrophobicContact CB-CB 4.41Å; A204-R351 WeakPolarHBondContact O-CD 3.44Å; A204-R351 PolarHBondContact O-NH1 3.39Å; A204-P377 HydrophobicContact CB-CG 4.36Å
205G84.4Confident89.6Confident9 Ų922.2 Ų22.29%0.09312%0.117CC..THydrogen-bonded Turntrans71.728.4173.500000114.5A201 L202 C203 E207 R351A201-G205 PolarHBondContact O-N 2.95Å; L202-G205 PolarHBondContact O-N 3.21Å; C203-G205 PolarHBondContact O-N 3.24Å; G205-E207 PolarHBondContact O-N 3.41Å; G205-R351 PolarHBondContact O-NH1 2.84Å
206I84.4Confident89.3Confident0 Ų021.7 Ų21.70%012%0.115CC..  trans-73.4114.3179.2-46170.2000108.3A201 A204 T211 N213 I225A201-I206 HydrophobicContact CB-CD1 3.95Å; A201-I206 PolarHBondContact O-N 3.26Å; A204-I206 HydrophobicContact CB-CG1 4.25Å; I206-T211 WeakPolarHBondContact CG2-O 3.22Å; I206-N213 HydrophobicContact CD1-CB 3.21Å; I206-N213 HydrophobicContact CG1-CB 4.05Å; I206-I225 HydrophobicContact CB-CG1 3.88Å; I206-I225 HydrophobicContact CG2-CB 4.14Å; I206-I225 HydrophobicContact CG2-CG1 3.7Å
207E80.4Confident88.9Confident71 Ų7120 Ų2033%0.33211%0.111SC..  trans-122.9-3.5-174.1-66.7165.9-145.600111.9G205 R409G205-E207 PolarHBondContact O-N 3.41Å; E207-R409 IonicContact OE1-CZ 3.16Å; E207-R409 IonicContact OE1-NH2 2.98Å; E207-R409 PolarHBondContact OE1-NH2 2.84Å; E207-R409 IonicContact OE2-NH2 3.33Å
208D85.4Confident88Confident62 Ų6222.2 Ų22.233%0.33213%0.125SC..SBendtrans-150.4172.2-171.558.554.6000112.8F210 T211D208-F210 VanDerWaalsContact C-N 3.29Å; D208-F210 HydrophobicContact CB-CD2 3.85Å; D208-F210 HydrophobicContact CB-CE2 4.4Å; D208-F210 WeakPolarHBondContact OD1-CA 3.27Å; D208-F210 WeakPolarHBondContact OD1-CB 3.49Å; D208-F210 PolarHBondContact OD1-N 2.78Å; D208-T211 PolarHBondContact OD1-N 3.4Å; D208-T211 PolarHBondContact OD1-OG1 3.17Å; D208-T211 VanDerWaalsContact OD1-OG1 3.08Å
209E91.4Very high87.5Confident54 Ų5427.1 Ų27.125%0.25214%0.143SC..THydrogen-bonded Turntrans-841.3176-67.3-168.6-166.200113.2I225 T226 R230 R343 F344E209-I225 WeakPolarHBondContact CG-O 3.33Å; E209-T226 WeakPolarHBondContact OE1-CB 3.43Å; E209-T226 PolarHBondContact OE1-OG1 3.1Å; E209-R230 IonicContact OE2-NH2 4Å; E209-R230 PolarHBondContact OE2-NH2 2.81Å; E209-R343 IonicContact OE2-NH1 2.7Å; E209-F344 HydrophobicContact CB-CD1 4.02Å; E209-F344 HydrophobicContact CB-CE1 4.46Å; E209-F344 HydrophobicContact CG-CD1 4.12Å; E209-F344 HydrophobicContact CG-CE1 4.1Å
210F92.8Very high87.3Confident93 Ų9327.1 Ų27.141%0.40814%0.143SC..THydrogen-bonded Turntrans-91.3-11-179.3-49.5-60.3000112.7D208 D346 V347 H348 T349D208-F210 VanDerWaalsContact C-N 3.29Å; D208-F210 HydrophobicContact CB-CD2 3.85Å; D208-F210 HydrophobicContact CB-CE2 4.4Å; D208-F210 WeakPolarHBondContact OD1-CA 3.27Å; D208-F210 WeakPolarHBondContact OD1-CB 3.49Å; D208-F210 PolarHBondContact OD1-N 2.78Å; F210-D346 HydrophobicContact CD1-CB 3.66Å; F210-D346 HydrophobicContact CE1-CB 3.76Å; F210-V347 WeakPolarHBondContact O-CA 3.43Å; F210-V347 WeakPolarHBondContact O-CG2 3.36Å; F210-H348 PolarHBondContact O-N 2.99Å; F210-T349 PolarHBondContact O-N 2.79Å
211T93.8Very high87.4Confident6 Ų627.1 Ų27.14%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-122127.6-177.2-500000110.4I206 D208 T349 R351I206-T211 WeakPolarHBondContact CG2-O 3.22Å; D208-T211 PolarHBondContact OD1-N 3.4Å; D208-T211 PolarHBondContact OD1-OG1 3.17Å; D208-T211 VanDerWaalsContact OD1-OG1 3.08Å; T211-T349 WeakPolarHBondContact CA-O 3.31Å; T211-T349 HydrophobicContact CG2-CG2 4.11Å; T211-R351 HydrophobicContact CG2-CG 4.13Å
212L95.4Very high87.6Confident0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-106.1158.7166.8-69.8177000110.1T222 S223 L337 M340 F344 V347 T349 L350 R351L212-T222 HydrophobicContact CD1-CG2 4.42Å; L212-S223 WeakPolarHBondContact CA-O 3.47Å; L212-S223 WeakPolarHBondContact CD2-O 3.14Å; L212-L337 HydrophobicContact CD1-CD1 3.7Å; L212-M340 HydrophobicContact CD1-CB 3.9Å; L212-M340 HydrophobicContact CD2-CE 3.95Å; L212-F344 HydrophobicContact CD1-CB 4.5Å; L212-F344 HydrophobicContact CD2-CB 4.14Å; L212-F344 HydrophobicContact CD2-CD1 4.25Å; L212-F344 HydrophobicContact CD2-CD2 3.72Å; L212-F344 HydrophobicContact CD2-CE2 4.17Å; L212-F344 HydrophobicContact CD2-CG 3.77Å; L212-V347 HydrophobicContact CB-CG2 4.13Å; L212-V347 HydrophobicContact CD1-CB 4.33Å; L212-V347 HydrophobicContact CD1-CG1 4.21Å; L212-V347 HydrophobicContact CD1-CG2 3.93Å; L212-V347 HydrophobicContact CG-CB 4.33Å; L212-V347 HydrophobicContact CG-CG2 3.67Å; L212-T349 PolarHBondContact N-O 3Å; L212-L350 HydrophobicContact CB-CD1 3.81Å; L212-L350 CarbonylContact O-C 3.51Å; L212-L350 WeakPolarHBondContact O-CA 3.18Å; L212-R351 PolarHBondContact O-N 3.37Å
213N93.3Very high87.8Confident1 Ų127.1 Ų27.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-115.6132.3170.9169.770.3000110.2A204 I206 V215 T222 S223 R351A204-N213 HydrophobicContact CB-CB 4.41Å; I206-N213 HydrophobicContact CD1-CB 3.21Å; I206-N213 HydrophobicContact CG1-CB 4.05Å; N213-V215 WeakPolarHBondContact ND2-CG2 3.27Å; N213-T222 CarbonylContact O-C 3.49Å; N213-T222 VanDerWaalsContact O-CA 3.31Å; N213-T222 WeakPolarHBondContact O-CA 3.48Å; N213-S223 PolarHBondContact N-O 2.75Å; N213-S223 PolarHBondContact ND2-OG 2.95Å; N213-S223 PolarHBondContact O-N 3.06Å; N213-R351 CarbonylContact C-O 3.42Å; N213-R351 VanDerWaalsContact CA-O 3.26Å; N213-R351 WeakPolarHBondContact CA-O 3.43Å; N213-R351 PolarHBondContact OD1-O 2.93Å
214A92.5Very high88.2Confident3 Ų326.4 Ų26.43%0.02514%0.139CC..EExtended strand (participates in β ladder)trans-114.4119.7170.900000109.6V221 L350 R351 V352 T353A214-V221 CarbonylContact C-O 3.35Å; A214-V221 WeakPolarHBondContact CA-O 3.29Å; A214-L350 HydrophobicContact CB-CD1 3.87Å; A214-L350 HydrophobicContact CB-CD2 4.21Å; A214-L350 HydrophobicContact CB-CG 4.19Å; A214-R351 PolarHBondContact N-O 3.47Å; A214-V352 HydrophobicContact CB-CG2 4.44Å; A214-V352 WeakPolarHBondContact O-CA 3.47Å; A214-T353 PolarHBondContact O-N 3.47Å
215V88.9Confident88.7Confident33 Ų3326.4 Ų26.420%0.214%0.138CC..EExtended strand (participates in β ladder)trans-94.2113.8170.7-171.60000107.9T200 N213 V221T200-V215 HydrophobicContact CG2-CG2 3.84Å; N213-V215 WeakPolarHBondContact ND2-CG2 3.27Å; V215-V221 HydrophobicContact CB-CB 4.2Å; V215-V221 HydrophobicContact CG2-CB 4.48Å; V215-V221 PolarHBondContact N-O 2.9Å; V215-V221 PolarHBondContact O-N 3.28Å
216M88.4Confident89.1Confident0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-101.575.4176.6-59.9-172.169.300109.6V329 V352 T353 P356 M363 L366M216-V329 HydrophobicContact CE-CG1 4.13Å; M216-V352 HydrophobicContact CG-CG1 3.91Å; M216-V352 HydrophobicContact SD-CG1 3.75Å; M216-T353 PolarHBondContact N-O 3.36Å; M216-P356 HydrophobicContact CB-CB 4.12Å; M216-P356 HydrophobicContact CB-CG 3.84Å; M216-P356 HydrophobicContact CE-CB 4.04Å; M216-P356 HydrophobicContact CE-CG 4.33Å; M216-P356 WeakPolarHBondContact O-CD 3.39Å; M216-P356 HydrophobicContact SD-CB 4.18Å; M216-M363 HydrophobicContact SD-CE 3.75Å; M216-L366 HydrophobicContact SD-CD2 3.97Å
217G81.1Confident89.4Confident22 Ų2235 Ų3523%0.22717%0.168CC..SBendtrans-109.4-146.1174.400000111.5W219 S257 S258G217-W219 CarbonylContact C-O 3.57Å; G217-W219 PolarHBondContact N-O 3.3Å; G217-W219 VanDerWaalsContact N-O 3.11Å; G217-W219 PolarHBondContact O-N 3.45Å; G217-S257 WeakPolarHBondContact O-CB 3.42Å; G217-S257 PolarHBondContact O-OG 3.03Å; G217-S258 VanDerWaalsContact C-OG 3.26Å; G217-S258 PolarHBondContact O-N 2.89Å; G217-S258 PolarHBondContact O-OG 3.23Å
218T71.7Confident89.6Confident76 Ų7632.9 Ų32.947%0.46617%0.165SC..SBendtrans-57.4-35.9164.1-49.30000111.4S257T218-S257 PolarHBondContact O-N 2.83Å
219W81.9Confident89.7Confident103 Ų10332.2 Ų32.239%0.3916%0.161SC..SBendtrans-99.6147.2173.1-73.668.3000110.8W84 G217 V221 P255 S257W84-W219 AromaticContact CH2-CH2 3.71Å; W84-W219 HydrophobicContact CH2-CH2 3.71Å; W84-W219 HydrophobicContact CH2-CZ2 4.25Å; W84-W219 HydrophobicContact CZ2-CH2 4.21Å; W84-W219 HydrophobicContact CZ3-CH2 4.35Å; G217-W219 CarbonylContact C-O 3.57Å; G217-W219 PolarHBondContact N-O 3.3Å; G217-W219 VanDerWaalsContact N-O 3.11Å; G217-W219 PolarHBondContact O-N 3.45Å; W219-V221 HydrophobicContact CB-CG2 4.22Å; W219-P255 HydrophobicContact CD2-CB 4.13Å; W219-P255 HydrophobicContact CE3-CB 4.11Å; W219-P255 HydrophobicContact CH2-CB 3.69Å; W219-P255 HydrophobicContact CH2-CG 4.43Å; W219-P255 HydrophobicContact CZ2-CB 3.68Å; W219-P255 HydrophobicContact CZ3-CB 3.9Å; W219-P255 HydrophobicContact CZ3-CG 4.49Å; W219-S257 VanDerWaalsContact C-CB 3.44Å; W219-S257 WeakPolarHBondContact O-CB 3.35Å
220A88.2Confident89.5Confident0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-91.6120.8163.800000107.7A253 S254 T256 H333A220-A253 CarbonylContact O-C 3.15Å; A220-A253 WeakPolarHBondContact O-CA 3.26Å; A220-A253 WeakPolarHBondContact O-CB 3.37Å; A220-S254 PolarHBondContact N-O 3.44Å; A220-S254 PolarHBondContact O-N 2.91Å; A220-T256 WeakPolarHBondContact CB-O 3.46Å; A220-T256 PolarHBondContact N-O 2.92Å; A220-H333 VanDerWaalsContact CA-CE1 3.45Å; A220-H333 WeakPolarHBondContact CA-CE1 3.26Å; A220-H333 WeakPolarHBondContact CB-CE1 3.36Å; A220-H333 WeakPolarHBondContact CB-NE2 3.41Å
221V90Very high89Confident17 Ų1736.4 Ų36.410%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-130.6127.8174.9-173.80000108.2V197 A214 V215 W219 H251 E252 A253V197-V221 HydrophobicContact CG1-CG1 4.46Å; A214-V221 CarbonylContact C-O 3.35Å; A214-V221 WeakPolarHBondContact CA-O 3.29Å; V215-V221 HydrophobicContact CB-CB 4.2Å; V215-V221 HydrophobicContact CG2-CB 4.48Å; V215-V221 PolarHBondContact N-O 2.9Å; V215-V221 PolarHBondContact O-N 3.28Å; W219-V221 HydrophobicContact CB-CG2 4.22Å; V221-H251 HydrophobicContact CG1-CB 4.26Å; V221-E252 WeakPolarHBondContact CA-O 3.45Å; V221-A253 HydrophobicContact CB-CB 4.42Å; V221-A253 HydrophobicContact CG1-CB 4.36Å; V221-A253 HydrophobicContact CG2-CB 3.97Å
222T94.2Very high88.5Confident1 Ų140.1 Ų40.11%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-116.8123.5169.7-54.50000108.6L212 N213 H251 E252 L337 M340L212-T222 HydrophobicContact CD1-CG2 4.42Å; N213-T222 CarbonylContact O-C 3.49Å; N213-T222 VanDerWaalsContact O-CA 3.31Å; N213-T222 WeakPolarHBondContact O-CA 3.48Å; T222-H251 CarbonylContact O-C 3.46Å; T222-H251 WeakPolarHBondContact O-CA 3.42Å; T222-H251 VanDerWaalsContact O-CB 3.31Å; T222-H251 WeakPolarHBondContact O-CB 3.21Å; T222-E252 PolarHBondContact N-O 2.82Å; T222-E252 PolarHBondContact O-N 3.23Å; T222-L337 HydrophobicContact CG2-CD1 4.14Å; T222-M340 HydrophobicContact CG2-CB 4.11Å; T222-M340 HydrophobicContact CG2-CG 3.78Å
223S94.8Very high88.2Confident0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-128.3151.6-176.260.50000113.1L212 N213 V250L212-S223 WeakPolarHBondContact CA-O 3.47Å; L212-S223 WeakPolarHBondContact CD2-O 3.14Å; N213-S223 PolarHBondContact N-O 2.75Å; N213-S223 PolarHBondContact ND2-OG 2.95Å; N213-S223 PolarHBondContact O-N 3.06Å; S223-V250 CarbonylContact C-O 3.38Å; S223-V250 WeakPolarHBondContact CA-O 3.41Å
224G95.2Very high87.9Confident0 Ų045.6 Ų45.60%026%0.26CS..EExtended strand (participates in β ladder)trans-145160173.300000111V250G224-V250 PolarHBondContact N-O 3.38Å; G224-V250 PolarHBondContact O-N 2.61Å
225I94.3Very high87.7Confident4 Ų447.7 Ų47.72%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-110.8137-179.5-53.1-55.1000109.9I206 E209 Y242 E247 F248 I249 F344I206-I225 HydrophobicContact CB-CG1 3.88Å; I206-I225 HydrophobicContact CG2-CB 4.14Å; I206-I225 HydrophobicContact CG2-CG1 3.7Å; E209-I225 WeakPolarHBondContact CG-O 3.33Å; I225-Y242 HydrophobicContact CD1-CD1 3.99Å; I225-Y242 HydrophobicContact CD1-CD2 3.52Å; I225-Y242 HydrophobicContact CD1-CE1 3.95Å; I225-Y242 HydrophobicContact CD1-CE2 3.51Å; I225-Y242 HydrophobicContact CD1-CG 3.78Å; I225-Y242 HydrophobicContact CG1-CD1 4.25Å; I225-Y242 HydrophobicContact CG1-CE1 3.95Å; I225-Y242 HydrophobicContact CG1-CE2 4.29Å; I225-Y242 HydrophobicContact CG2-CD1 3.66Å; I225-Y242 HydrophobicContact CG2-CE1 3.99Å; I225-Y242 HydrophobicContact CG2-CG 4.21Å; I225-E247 HydrophobicContact CG2-CB 4.1Å; I225-F248 WeakPolarHBondContact CA-O 3.43Å; I225-I249 HydrophobicContact CD1-CB 3.78Å; I225-I249 HydrophobicContact CD1-CD1 4.22Å; I225-I249 HydrophobicContact CD1-CG1 3.84Å; I225-F344 WeakPolarHBondContact O-CE1 3.45Å
226T93.8Very high87.7Confident5 Ų549.5 Ų49.53%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-141.8159-178.7-173.50000111.5E209 Y239 E247 F248 V250 R343E209-T226 WeakPolarHBondContact OE1-CB 3.43Å; E209-T226 PolarHBondContact OE1-OG1 3.1Å; T226-Y239 HydrophobicContact CG2-CE1 4.18Å; T226-E247 CarbonylContact O-C 3.57Å; T226-E247 WeakPolarHBondContact O-CA 3.43Å; T226-F248 HydrophobicContact CG2-CB 4.1Å; T226-F248 PolarHBondContact N-O 2.66Å; T226-F248 PolarHBondContact O-N 2.73Å; T226-V250 HydrophobicContact CG2-CG2 3.7Å; T226-R343 PolarHBondContact OG1-NH2 3.26Å
227R89.4Confident87.9Confident183 Ų18349.7 Ų49.769%0.69128%0.283SS*.SBendtrans-988.6-179.9-74.4178.1-178.1146.48.2114.7E247R227-E247 HydrophobicContact CG-CG 3.81Å; R227-E247 IonicContact CZ-OE1 2.85Å; R227-E247 IonicContact NE-OE1 3.76Å; R227-E247 PolarHBondContact NE-OE1 2.9Å; R227-E247 IonicContact NH2-OE1 3.89Å; R227-E247 PolarHBondContact NH2-OE1 3.07Å
228G85.1Confident88.5Confident27 Ų2749.3 Ų49.328%0.27828%0.276SS..SBendtrans-162.8152.7-17900000114.7R343G228-R343 PolarHBondContact O-NH2 2.96Å; G228-R343 VanDerWaalsContact O-NH2 3.16Å
229L87.8Confident89.5Confident48 Ų4845.7 Ų45.725%0.25125%0.254SS..  trans-78.3139.4169.2-55.7177.6000109R80 M139 Y239 F248R80-L229 HydrophobicContact CG-CD2 4.32Å; M139-L229 HydrophobicContact CB-CD1 4.39Å; M139-L229 HydrophobicContact CG-CD1 3.93Å; M139-L229 HydrophobicContact CG-CD2 3.9Å; L229-Y239 HydrophobicContact CD2-CD1 3.5Å; L229-Y239 HydrophobicContact CD2-CE1 3.83Å; L229-Y239 HydrophobicContact CD2-CG 4.17Å; L229-F248 HydrophobicContact CD1-CZ 4.44Å; L229-F248 HydrophobicContact CD2-CD1 3.89Å; L229-F248 HydrophobicContact CD2-CD2 4.36Å; L229-F248 HydrophobicContact CD2-CE1 3.81Å; L229-F248 HydrophobicContact CD2-CE2 4.3Å; L229-F248 HydrophobicContact CD2-CG 4.16Å; L229-F248 HydrophobicContact CD2-CZ 4.02Å; L229-F248 HydrophobicContact CG-CE1 4.22Å; L229-F248 HydrophobicContact CG-CE2 4.29Å; L229-F248 HydrophobicContact CG-CZ 3.98Å
230R86.2Confident90.1Very high98 Ų9840.8 Ų40.837%0.3724%0.236SC..  trans-110.9141.6172.4-64.4-174-177.2167.84.2109.9R80 E209 E233 R343R80-R230 PolarHBondContact NH1-O 3.28Å; E209-R230 IonicContact OE2-NH2 4Å; E209-R230 PolarHBondContact OE2-NH2 2.81Å; R230-E233 HydrophobicContact CB-CG 3.83Å; R230-R343 VanDerWaalsContact NE-CZ 3.35Å; R230-R343 PolarHBondContact NH1-O 2.97Å
231D84.1Confident90.5Very high137 Ų13742.6 Ų42.673%0.73324%0.242SC*.SBendtrans-94.8150.8172.2-68.3-32000110.5R80 E233R80-D231 IonicContact CZ-OD1 2.77Å; R80-D231 IonicContact NH1-OD1 3.51Å; R80-D231 IonicContact NH2-OD1 2.63Å; R80-D231 PolarHBondContact NH2-OD1 2.86Å; D231-E233 PolarHBondContact O-N 3.22Å
232G83.3Confident90.7Very high85 Ų8542.1 Ų42.188%0.87624%0.239SC*.SBendtrans70.627.6175.900000114.6
233E88.3Confident90.6Very high41 Ų4142.6 Ų42.619%0.19224%0.241CC..  trans-65.8147174.7-61.8-174.6124.200111.5R230 D231 H235 Y237 Y239 R343R230-E233 HydrophobicContact CB-CG 3.83Å; D231-E233 PolarHBondContact O-N 3.22Å; E233-H235 PolarHBondContact O-N 3.37Å; E233-Y237 HydrophobicContact CB-CD2 4.2Å; E233-Y237 HydrophobicContact CB-CE2 4.07Å; E233-Y239 PolarHBondContact OE1-OH 3.18Å; E233-Y239 VanDerWaalsContact OE2-CE2 3.28Å; E233-Y239 WeakPolarHBondContact OE2-CE2 3.14Å; E233-Y239 PolarHBondContact OE2-OH 3.46Å; E233-R343 WeakPolarHBondContact OE1-CD 3.26Å; E233-R343 IonicContact OE1-NE 3.71Å; E233-R343 PolarHBondContact OE1-NE 3.41Å
234A86.8Confident90.3Very high74 Ų7444 Ų4461%0.61225%0.249SC*.SBendtrans-66.1-22.7-176.500000113.6
235H89.2Confident89.9Confident47 Ų4751.7 Ų51.722%0.21829%0.29CS..SBendtrans-133.4147.6-176.2-60.1-54.7000110.6E233 Y237 E342E233-H235 PolarHBondContact O-N 3.37Å; H235-Y237 HydrophobicContact CB-CD1 4.41Å; H235-Y237 HydrophobicContact CB-CD2 4.49Å; H235-Y237 HydrophobicContact CB-CE1 4.01Å; H235-Y237 HydrophobicContact CB-CE2 4.11Å; H235-Y237 PolarHBondContact CD2-OH 2.82Å; H235-Y237 WeakPolarHBondContact O-CD2 3.33Å; H235-Y237 PolarHBondContact O-N 3.16Å; H235-E342 IonicContact CD2-OE2 3.72Å; H235-E342 IonicContact NE2-OE1 2.8Å; H235-E342 IonicContact NE2-OE2 3.9Å; H235-E342 PolarHBondContact NE2-OE2 3.01Å
236P88.7Confident89.6Confident71 Ų7153.4 Ų53.446%0.46131%0.309SS..  trans-79.171.417434.4-35.1000110.4Y76 T82Y76-P236 HydrophobicContact CD1-CB 4.48Å; Y76-P236 HydrophobicContact CD2-CB 3.97Å; Y76-P236 HydrophobicContact CE1-CB 4.16Å; Y76-P236 HydrophobicContact CE2-CB 3.62Å; Y76-P236 HydrophobicContact CG-CB 4.4Å; Y76-P236 VanDerWaalsContact OH-CA 3.31Å; Y76-P236 WeakPolarHBondContact OH-CA 3.05Å; T82-P236 HydrophobicContact CG2-CB 4.13Å; T82-P236 HydrophobicContact CG2-CG 4.28Å; T82-P236 VanDerWaalsContact CG2-O 3.22Å; T82-P236 WeakPolarHBondContact CG2-O 3.11Å
237Y92.3Very high89.6Confident4 Ų453.9 Ų53.92%0.01631%0.311CS..  trans-57.6149.9176.3-57.8-72000111.9Y76 E233 H235 V250 E252 R339 M340 R343Y76-Y237 VanDerWaalsContact CE2-O 3.27Å; Y76-Y237 WeakPolarHBondContact CE2-O 3.41Å; Y76-Y237 PolarHBondContact OH-N 3.36Å; Y76-Y237 PolarHBondContact OH-O 2.93Å; E233-Y237 HydrophobicContact CB-CD2 4.2Å; E233-Y237 HydrophobicContact CB-CE2 4.07Å; H235-Y237 HydrophobicContact CB-CD1 4.41Å; H235-Y237 HydrophobicContact CB-CD2 4.49Å; H235-Y237 HydrophobicContact CB-CE1 4.01Å; H235-Y237 HydrophobicContact CB-CE2 4.11Å; H235-Y237 PolarHBondContact CD2-OH 2.82Å; H235-Y237 WeakPolarHBondContact O-CD2 3.33Å; H235-Y237 PolarHBondContact O-N 3.16Å; Y237-V250 HydrophobicContact CD1-CG1 4.42Å; Y237-V250 HydrophobicContact CG-CG1 4.04Å; Y237-E252 HydrophobicContact CD1-CG 3.9Å; Y237-E252 HydrophobicContact CE1-CG 4.17Å; Y237-R339 HydrophobicContact CE1-CB 4.15Å; Y237-R339 PolarHBondContact OH-O 3.49Å; Y237-M340 HydrophobicContact CD1-SD 4.19Å; Y237-M340 HydrophobicContact CE1-SD 4.32Å; Y237-R343 HydrophobicContact CE2-CB 4.04Å
238V92.6Very high89.9Confident15 Ų1545.8 Ų45.89%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-86.3116.4174.9-176.60000109.2Q81 T82 V250 H251Q81-V238 VanDerWaalsContact NE2-CG1 3.28Å; Q81-V238 VanDerWaalsContact OE1-CG1 3.29Å; T82-V238 HydrophobicContact CG2-CG2 4.41Å; V238-V250 CarbonylContact O-C 3.45Å; V238-V250 WeakPolarHBondContact O-CA 3.27Å; V238-H251 WeakPolarHBondContact CB-O 3.32Å; V238-H251 VanDerWaalsContact CG1-CE1 3.48Å; V238-H251 WeakPolarHBondContact CG1-CE1 3.42Å; V238-H251 WeakPolarHBondContact CG1-NE2 3.47Å; V238-H251 PolarHBondContact N-O 3.23Å; V238-H251 PolarHBondContact O-N 3.04Å
239Y94.2Very high90.3Very high0 Ų044.5 Ų44.50%027%0.267CS..EExtended strand (participates in β ladder)trans-104.9123.6175.8-77.4-109.9000111.4R80 Q81 M139 T226 L229 E233 F248 I249 V250 R343R80-Y239 HydrophobicContact CB-CD2 4.06Å; R80-Y239 HydrophobicContact CB-CG 4.07Å; R80-Y239 PolarHBondContact O-N 3.2Å; Q81-Y239 PolarHBondContact NE2-O 3.01Å; M139-Y239 WeakPolarHBondContact CE-O 3.48Å; T226-Y239 HydrophobicContact CG2-CE1 4.18Å; L229-Y239 HydrophobicContact CD2-CD1 3.5Å; L229-Y239 HydrophobicContact CD2-CE1 3.83Å; L229-Y239 HydrophobicContact CD2-CG 4.17Å; E233-Y239 PolarHBondContact OE1-OH 3.18Å; E233-Y239 VanDerWaalsContact OE2-CE2 3.28Å; E233-Y239 WeakPolarHBondContact OE2-CE2 3.14Å; E233-Y239 PolarHBondContact OE2-OH 3.46Å; Y239-F248 HydrophobicContact CD1-CB 4Å; Y239-F248 HydrophobicContact CD1-CG 4.4Å; Y239-I249 CarbonylContact C-O 3.59Å; Y239-I249 VanDerWaalsContact CA-O 3.3Å; Y239-I249 WeakPolarHBondContact CA-O 3.39Å; Y239-V250 HydrophobicContact CD1-CG2 3.61Å; Y239-V250 HydrophobicContact CD2-CG1 4.33Å; Y239-V250 HydrophobicContact CD2-CG2 4.46Å; Y239-V250 HydrophobicContact CE1-CG2 3.35Å; Y239-V250 HydrophobicContact CE2-CG1 4.06Å; Y239-V250 HydrophobicContact CE2-CG2 4.26Å; Y239-V250 HydrophobicContact CG-CG2 4.15Å; Y239-R343 PolarHBondContact OH-NE 3.29Å
240G94.5Very high90.7Very high0 Ų042.2 Ų42.20%026%0.255CS..EExtended strand (participates in β ladder)trans-108.8159166.500000111.2F248 I249G240-F248 CarbonylContact O-C 3.6Å; G240-F248 VanDerWaalsContact O-CA 3.24Å; G240-F248 WeakPolarHBondContact O-CA 3.3Å; G240-I249 PolarHBondContact N-O 3.06Å; G240-I249 PolarHBondContact O-N 2.68Å
241R95.2Very high91Very high37 Ų3738 Ų3814%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-66.8137.2164.5-73.2-72.6-167.3-173.91.3109.4E128 S132 Y137 M139 F248E128-R241 HydrophobicContact CG-CB 3.85Å; E128-R241 HydrophobicContact CG-CG 3.81Å; E128-R241 IonicContact OE1-NE 2.73Å; S132-R241 PolarHBondContact OG-N 2.74Å; Y137-R241 HydrophobicContact CE1-CG 4.14Å; Y137-R241 PolarHBondContact OH-NE 2.78Å; M139-R241 PolarHBondContact O-NH2 3.18Å; M139-R241 HydrophobicContact SD-CG 4.15Å; R241-F248 VanDerWaalsContact NH1-CE1 3.28Å
242Y94.6Very high91.3Very high8 Ų832.5 Ų32.53%0.03121%0.21CC..  trans-95.6174.5174.7-162.7-127.6000111.3V198 A201 L202 I225 N244 E247 I249V198-Y242 HydrophobicContact CG1-CD2 3.81Å; V198-Y242 HydrophobicContact CG1-CE2 3.88Å; A201-Y242 HydrophobicContact CB-CE2 4.18Å; L202-Y242 WeakPolarHBondContact CA-OH 3.43Å; L202-Y242 PolarHBondContact N-OH 3.01Å; I225-Y242 HydrophobicContact CD1-CD1 3.99Å; I225-Y242 HydrophobicContact CD1-CD2 3.52Å; I225-Y242 HydrophobicContact CD1-CE1 3.95Å; I225-Y242 HydrophobicContact CD1-CE2 3.51Å; I225-Y242 HydrophobicContact CD1-CG 3.78Å; I225-Y242 HydrophobicContact CG1-CD1 4.25Å; I225-Y242 HydrophobicContact CG1-CE1 3.95Å; I225-Y242 HydrophobicContact CG1-CE2 4.29Å; I225-Y242 HydrophobicContact CG2-CD1 3.66Å; I225-Y242 HydrophobicContact CG2-CE1 3.99Å; I225-Y242 HydrophobicContact CG2-CG 4.21Å; Y242-N244 VanDerWaalsContact C-N 3.26Å; Y242-N244 PolarHBondContact O-N 3.35Å; Y242-E247 WeakPolarHBondContact CB-O 3.28Å; Y242-E247 HydrophobicContact CD1-CB 4.1Å; Y242-E247 PolarHBondContact N-O 3.31Å; Y242-I249 HydrophobicContact CD2-CB 4.18Å
243V92.8Very high91.5Very high10 Ų1030.6 Ų30.66%0.06119%0.185CC..SBendtrans-69.8-21.5-173.8-58.20000114.2L194 V198 L202 F401L194-V243 HydrophobicContact CD2-CG1 3.4Å; V198-V243 HydrophobicContact CG1-CG1 3.59Å; L202-V243 HydrophobicContact CD1-CG2 4.06Å; V243-F401 HydrophobicContact CB-CD1 4.44Å; V243-F401 HydrophobicContact CB-CD2 3.7Å; V243-F401 HydrophobicContact CB-CE1 4.39Å; V243-F401 HydrophobicContact CB-CE2 3.67Å; V243-F401 HydrophobicContact CB-CG 4.1Å; V243-F401 HydrophobicContact CB-CZ 4.03Å; V243-F401 HydrophobicContact CG1-CZ 4.39Å; V243-F401 HydrophobicContact CG2-CB 4.02Å; V243-F401 HydrophobicContact CG2-CD1 4.24Å; V243-F401 HydrophobicContact CG2-CD2 3.74Å; V243-F401 HydrophobicContact CG2-CE2 4.24Å; V243-F401 HydrophobicContact CG2-CG 3.75Å
244N88.7Confident91.3Very high31 Ų3128.7 Ų28.717%0.16618%0.177CC..SBendtrans-100.1137.5175.9-60.4-45000109.9Y242 G246 E247Y242-N244 VanDerWaalsContact C-N 3.26Å; Y242-N244 PolarHBondContact O-N 3.35Å; N244-G246 PolarHBondContact O-N 2.77Å; N244-E247 HydrophobicContact CB-CB 4.32Å; N244-E247 HydrophobicContact CB-CG 4.23Å; N244-E247 VanDerWaalsContact CB-OE2 3.31Å; N244-E247 WeakPolarHBondContact CB-OE2 3.48Å; N244-E247 PolarHBondContact ND2-OE2 2.98Å; N244-E247 WeakPolarHBondContact O-CB 3.32Å; N244-E247 PolarHBondContact O-N 3.45Å
245D85.9Confident91Very high160 Ų16026.6 Ų26.686%0.85616%0.157SC*.THydrogen-bonded Turntrans-53.8130.7177.7-72.4-5.6000112.1E247D245-E247 PolarHBondContact O-N 3.33Å
246G88.6Confident90.7Very high40 Ų4024.3 Ų24.341%0.41215%0.146SC..THydrogen-bonded Turntrans78.9-0.9179.900000115.1N244N244-G246 PolarHBondContact O-N 2.77Å
247E93.5Very high90.8Very high15 Ų1521 Ų217%0.0712%0.124CC..  trans-97.6148.9173.9-66.7-176.5165.200111.7I225 T226 R227 Y242 N244 D245I225-E247 HydrophobicContact CG2-CB 4.1Å; T226-E247 CarbonylContact O-C 3.57Å; T226-E247 WeakPolarHBondContact O-CA 3.43Å; R227-E247 HydrophobicContact CG-CG 3.81Å; R227-E247 IonicContact CZ-OE1 2.85Å; R227-E247 IonicContact NE-OE1 3.76Å; R227-E247 PolarHBondContact NE-OE1 2.9Å; R227-E247 IonicContact NH2-OE1 3.89Å; R227-E247 PolarHBondContact NH2-OE1 3.07Å; Y242-E247 WeakPolarHBondContact CB-O 3.28Å; Y242-E247 HydrophobicContact CD1-CB 4.1Å; Y242-E247 PolarHBondContact N-O 3.31Å; N244-E247 HydrophobicContact CB-CB 4.32Å; N244-E247 HydrophobicContact CB-CG 4.23Å; N244-E247 VanDerWaalsContact CB-OE2 3.31Å; N244-E247 WeakPolarHBondContact CB-OE2 3.48Å; N244-E247 PolarHBondContact ND2-OE2 2.98Å; N244-E247 WeakPolarHBondContact O-CB 3.32Å; N244-E247 PolarHBondContact O-N 3.45Å; D245-E247 PolarHBondContact O-N 3.33Å
248F94.8Very high90.6Very high13 Ų1321.1 Ų21.16%0.05713%0.126CC..EExtended strand (participates in β ladder)trans-127.9138.3-179.9-56.1-91.5000109.4M139 I225 T226 L229 Y239 G240 R241M139-F248 HydrophobicContact CG-CD1 4.24Å; M139-F248 HydrophobicContact CG-CE1 3.84Å; M139-F248 HydrophobicContact SD-CD1 3.79Å; M139-F248 HydrophobicContact SD-CE1 3.68Å; I225-F248 WeakPolarHBondContact CA-O 3.43Å; T226-F248 HydrophobicContact CG2-CB 4.1Å; T226-F248 PolarHBondContact N-O 2.66Å; T226-F248 PolarHBondContact O-N 2.73Å; L229-F248 HydrophobicContact CD1-CZ 4.44Å; L229-F248 HydrophobicContact CD2-CD1 3.89Å; L229-F248 HydrophobicContact CD2-CD2 4.36Å; L229-F248 HydrophobicContact CD2-CE1 3.81Å; L229-F248 HydrophobicContact CD2-CE2 4.3Å; L229-F248 HydrophobicContact CD2-CG 4.16Å; L229-F248 HydrophobicContact CD2-CZ 4.02Å; L229-F248 HydrophobicContact CG-CE1 4.22Å; L229-F248 HydrophobicContact CG-CE2 4.29Å; L229-F248 HydrophobicContact CG-CZ 3.98Å; Y239-F248 HydrophobicContact CD1-CB 4Å; Y239-F248 HydrophobicContact CD1-CG 4.4Å; G240-F248 CarbonylContact O-C 3.6Å; G240-F248 VanDerWaalsContact O-CA 3.24Å; G240-F248 WeakPolarHBondContact O-CA 3.3Å; R241-F248 VanDerWaalsContact NH1-CE1 3.28Å
249I95.2Very high90.3Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-86.8131.8164.3-173.2163.4000108.4V197 V198 A201 I225 Y239 G240 Y242V197-I249 HydrophobicContact CG1-CD1 4.09Å; V198-I249 HydrophobicContact CG2-CD1 4.19Å; V198-I249 HydrophobicContact CG2-CG2 3.91Å; A201-I249 HydrophobicContact CB-CD1 3.74Å; I225-I249 HydrophobicContact CD1-CB 3.78Å; I225-I249 HydrophobicContact CD1-CD1 4.22Å; I225-I249 HydrophobicContact CD1-CG1 3.84Å; Y239-I249 CarbonylContact C-O 3.59Å; Y239-I249 VanDerWaalsContact CA-O 3.3Å; Y239-I249 WeakPolarHBondContact CA-O 3.39Å; G240-I249 PolarHBondContact N-O 3.06Å; G240-I249 PolarHBondContact O-N 2.68Å; Y242-I249 HydrophobicContact CD2-CB 4.18Å
250V94.9Very high90.2Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-115.8132174.1-171.50000107.2S223 G224 T226 Y237 V238 Y239 M340 F344S223-V250 CarbonylContact C-O 3.38Å; S223-V250 WeakPolarHBondContact CA-O 3.41Å; G224-V250 PolarHBondContact N-O 3.38Å; G224-V250 PolarHBondContact O-N 2.61Å; T226-V250 HydrophobicContact CG2-CG2 3.7Å; Y237-V250 HydrophobicContact CD1-CG1 4.42Å; Y237-V250 HydrophobicContact CG-CG1 4.04Å; V238-V250 CarbonylContact O-C 3.45Å; V238-V250 WeakPolarHBondContact O-CA 3.27Å; Y239-V250 HydrophobicContact CD1-CG2 3.61Å; Y239-V250 HydrophobicContact CD2-CG1 4.33Å; Y239-V250 HydrophobicContact CD2-CG2 4.46Å; Y239-V250 HydrophobicContact CE1-CG2 3.35Å; Y239-V250 HydrophobicContact CE2-CG1 4.06Å; Y239-V250 HydrophobicContact CE2-CG2 4.26Å; Y239-V250 HydrophobicContact CG-CG2 4.15Å; V250-M340 HydrophobicContact CB-CE 4.43Å; V250-M340 HydrophobicContact CG1-CE 4.47Å; V250-M340 HydrophobicContact CG1-SD 4.4Å; V250-M340 VanDerWaalsContact O-CE 3.3Å; V250-M340 WeakPolarHBondContact O-CE 3.41Å; V250-F344 HydrophobicContact CB-CE2 3.99Å; V250-F344 HydrophobicContact CB-CZ 4Å; V250-F344 HydrophobicContact CG1-CE2 4.38Å; V250-F344 HydrophobicContact CG2-CE2 4.45Å; V250-F344 HydrophobicContact CG2-CZ 4.09Å
251H92.4Very high90.1Very high10 Ų1020.9 Ų20.95%0.04613%0.125CC..EExtended strand (participates in β ladder)trans-145.4151.6176.561.5-93.7000114.7E133 V221 T222 V238E133-H251 IonicContact OE1-CE1 3.82Å; E133-H251 PolarHBondContact OE1-CE1 3.09Å; E133-H251 VanDerWaalsContact OE1-CE1 3.24Å; E133-H251 IonicContact OE1-ND1 3.83Å; E133-H251 IonicContact OE2-CE1 3.37Å; E133-H251 PolarHBondContact OE2-CE1 3.46Å; E133-H251 IonicContact OE2-NE2 3.95Å; V221-H251 HydrophobicContact CG1-CB 4.26Å; T222-H251 CarbonylContact O-C 3.46Å; T222-H251 WeakPolarHBondContact O-CA 3.42Å; T222-H251 VanDerWaalsContact O-CB 3.31Å; T222-H251 WeakPolarHBondContact O-CB 3.21Å; V238-H251 WeakPolarHBondContact CB-O 3.32Å; V238-H251 VanDerWaalsContact CG1-CE1 3.48Å; V238-H251 WeakPolarHBondContact CG1-CE1 3.42Å; V238-H251 WeakPolarHBondContact CG1-NE2 3.47Å; V238-H251 PolarHBondContact N-O 3.23Å; V238-H251 PolarHBondContact O-N 3.04Å
252E90.6Very high89.8Confident22 Ų2224.4 Ų24.410%0.10314%0.143CC..EExtended strand (participates in β ladder)trans-115140.9166.6-86.1-77.4108.600108.3V221 T222 Y237 H336 R339 M340V221-E252 WeakPolarHBondContact CA-O 3.45Å; T222-E252 PolarHBondContact N-O 2.82Å; T222-E252 PolarHBondContact O-N 3.23Å; Y237-E252 HydrophobicContact CD1-CG 3.9Å; Y237-E252 HydrophobicContact CE1-CG 4.17Å; E252-H336 HydrophobicContact CB-CB 3.97Å; E252-H336 IonicContact OE2-ND1 3.99Å; E252-R339 HydrophobicContact CG-CB 4.48Å; E252-R339 WeakPolarHBondContact OE2-CD 3.35Å; E252-R339 IonicContact OE2-CZ 3.97Å; E252-R339 IonicContact OE2-NH1 3.82Å; E252-R339 PolarHBondContact OE2-NH1 2.85Å; E252-M340 HydrophobicContact CB-CG 4.32Å; E252-M340 HydrophobicContact CB-SD 4.44Å; E252-M340 HydrophobicContact CG-CG 4.46Å; E252-M340 HydrophobicContact CG-SD 4.33Å
253A87.8Confident89.5Confident44 Ų4428 Ų2836%0.36416%0.156SC..EExtended strand (participates in β ladder)trans-147.8155.2-178.100000113.5A220 V221A220-A253 CarbonylContact O-C 3.15Å; A220-A253 WeakPolarHBondContact O-CA 3.26Å; A220-A253 WeakPolarHBondContact O-CB 3.37Å; V221-A253 HydrophobicContact CB-CB 4.42Å; V221-A253 HydrophobicContact CG1-CB 4.36Å; V221-A253 HydrophobicContact CG2-CB 3.97Å
254S84.2Confident89.5Confident2 Ų227.8 Ų27.81%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-142.9151.916861.40000112A220 T256 H336A220-S254 PolarHBondContact N-O 3.44Å; A220-S254 PolarHBondContact O-N 2.91Å; S254-T256 PolarHBondContact O-N 2.83Å; S254-H336 VanDerWaalsContact CB-NE2 3.33Å; S254-H336 WeakPolarHBondContact CB-NE2 3.45Å; S254-H336 PolarHBondContact N-NE2 2.77Å; S254-H336 PolarHBondContact OG-NE2 2.63Å
255P80.3Confident89.5Confident29 Ų2927.4 Ų27.419%0.18815%0.153CC..SBendtrans-76.445.717935.1-39.3000112W219 Y297W219-P255 HydrophobicContact CD2-CB 4.13Å; W219-P255 HydrophobicContact CE3-CB 4.11Å; W219-P255 HydrophobicContact CH2-CB 3.69Å; W219-P255 HydrophobicContact CH2-CG 4.43Å; W219-P255 HydrophobicContact CZ2-CB 3.68Å; W219-P255 HydrophobicContact CZ3-CB 3.9Å; W219-P255 HydrophobicContact CZ3-CG 4.49Å; P255-Y297 CarbonylContact O-C 3.59Å; P255-Y297 WeakPolarHBondContact O-CB 3.18Å
256T82.6Confident89.6Confident0 Ų023 Ų230%014%0.139CC..  trans-157.9133.2177.6-171.70000112.2A220 S254 N260 P294 F295 G298A220-T256 WeakPolarHBondContact CB-O 3.46Å; A220-T256 PolarHBondContact N-O 2.92Å; S254-T256 PolarHBondContact O-N 2.83Å; T256-N260 PolarHBondContact OG1-ND2 3.5Å; T256-P294 VanDerWaalsContact CB-O 3.25Å; T256-P294 WeakPolarHBondContact CB-O 3.25Å; T256-P294 VanDerWaalsContact CG2-O 3.3Å; T256-P294 WeakPolarHBondContact CG2-O 3.41Å; T256-P294 PolarHBondContact OG1-O 3.37Å; T256-F295 HydrophobicContact CG2-CD1 4.24Å; T256-G298 WeakPolarHBondContact CB-O 3.29Å; T256-G298 WeakPolarHBondContact CG2-O 3.46Å
257S90.8Very high89.5Confident0 Ų026.7 Ų26.70%015%0.146CC..SBendtrans-170.5-124.9-179.9170.80000109.4G217 T218 W219 G259 N260 V329 H333G217-S257 WeakPolarHBondContact O-CB 3.42Å; G217-S257 PolarHBondContact O-OG 3.03Å; T218-S257 PolarHBondContact O-N 2.83Å; W219-S257 VanDerWaalsContact C-CB 3.44Å; W219-S257 WeakPolarHBondContact O-CB 3.35Å; S257-G259 VanDerWaalsContact C-N 3.28Å; S257-G259 PolarHBondContact O-N 2.67Å; S257-N260 PolarHBondContact O-N 2.97Å; S257-N260 PolarHBondContact O-ND2 2.87Å; S257-V329 WeakPolarHBondContact O-CG2 3.41Å; S257-H333 PolarHBondContact OG-NE2 2.94Å
258S88.1Confident89Confident8 Ų832.8 Ų32.86%0.05617%0.168CC..THydrogen-bonded Turntrans-66.7-24.3-172.567.70000114G217 N260 L261 E262 P356G217-S258 VanDerWaalsContact C-OG 3.26Å; G217-S258 PolarHBondContact O-N 2.89Å; G217-S258 PolarHBondContact O-OG 3.23Å; S258-N260 PolarHBondContact O-N 3.47Å; S258-L261 WeakPolarHBondContact O-CB 3.11Å; S258-L261 PolarHBondContact O-N 3.48Å; S258-E262 PolarHBondContact O-N 3.32Å; S258-P356 VanDerWaalsContact CB-CG 3.49Å
259G87.5Confident88.1Confident1 Ų133.8 Ų33.81%0.0118%0.182CC..Hα-helixtrans-55.9-21.9178.300000113.9S257 L261 E262 W263S257-G259 VanDerWaalsContact C-N 3.28Å; S257-G259 PolarHBondContact O-N 2.67Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-E262 PolarHBondContact O-N 2.84Å; G259-W263 WeakPolarHBondContact O-CB 3.39Å; G259-W263 PolarHBondContact O-N 2.91Å
260N91.4Very high87.2Confident0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-65.5-35.7173.5-64.2-95.3000112.4T256 S257 S258 F264 F292 P294 L296T256-N260 PolarHBondContact OG1-ND2 3.5Å; S257-N260 PolarHBondContact O-N 2.97Å; S257-N260 PolarHBondContact O-ND2 2.87Å; S258-N260 PolarHBondContact O-N 3.47Å; N260-F264 WeakPolarHBondContact O-CB 3.38Å; N260-F264 PolarHBondContact O-N 2.9Å; N260-F264 VanDerWaalsContact O-N 3.11Å; N260-F292 HydrophobicContact CB-CE1 3.73Å; N260-F292 HydrophobicContact CB-CZ 4.05Å; N260-P294 HydrophobicContact CB-CB 4.45Å; N260-P294 WeakPolarHBondContact OD1-CA 2.98Å; N260-L296 HydrophobicContact CB-CD1 4.13Å; N260-L296 WeakPolarHBondContact OD1-CB 3.18Å; N260-L296 WeakPolarHBondContact OD1-CD1 3.36Å; N260-L296 WeakPolarHBondContact OD1-CG 3.11Å; N260-L296 PolarHBondContact OD1-N 2.78Å
261L92.8Very high86.5Confident9 Ų945 Ų455%0.04724%0.236CC..Hα-helixtrans-68.8-47.8174.8-178.768.4000110.5S258 G259 W263 F264 T265 F273 I276 L322 I325 Y326 W362S258-L261 WeakPolarHBondContact O-CB 3.11Å; S258-L261 PolarHBondContact O-N 3.48Å; G259-L261 VanDerWaalsContact C-N 3.32Å; L261-W263 VanDerWaalsContact C-N 3.29Å; L261-W263 PolarHBondContact O-N 3.45Å; L261-F264 PolarHBondContact O-N 2.71Å; L261-T265 HydrophobicContact CD1-CG2 4.31Å; L261-T265 HydrophobicContact CG-CG2 4.42Å; L261-T265 WeakPolarHBondContact O-CG2 3.36Å; L261-T265 PolarHBondContact O-N 2.68Å; L261-T265 PolarHBondContact O-OG1 2.85Å; L261-F273 HydrophobicContact CD2-CD2 4.35Å; L261-F273 HydrophobicContact CD2-CE2 3.97Å; L261-I276 HydrophobicContact CD1-CD1 4.32Å; L261-I276 HydrophobicContact CD1-CG2 4.45Å; L261-I276 HydrophobicContact CD2-CD1 4.43Å; L261-L322 HydrophobicContact CD1-CD2 3.84Å; L261-I325 HydrophobicContact CB-CG2 4.06Å; L261-I325 HydrophobicContact CD1-CG2 4.13Å; L261-Y326 HydrophobicContact CD1-CD1 4.41Å; L261-Y326 HydrophobicContact CD1-CE1 3.95Å; L261-Y326 HydrophobicContact CD2-CE1 3.62Å; L261-Y326 HydrophobicContact CG-CE1 4.41Å; L261-W362 HydrophobicContact CB-CH2 4.26Å; L261-W362 HydrophobicContact CD2-CH2 3.82Å; L261-W362 HydrophobicContact CD2-CZ3 3.65Å
262E88.6Confident86.1Confident110 Ų11047.3 Ų47.351%0.51425%0.253SS..Hα-helixtrans-56.2-44.1178-68164.7-15300111.5S258 G259 T265 A266S258-E262 PolarHBondContact O-N 3.32Å; G259-E262 PolarHBondContact O-N 2.84Å; E262-T265 PolarHBondContact O-OG1 2.97Å; E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.38Å
263W89.1Confident85.7Confident84 Ų8449.5 Ų49.532%0.31826%0.262SS..Hα-helixtrans-62.2-46.6174.4177.484.7000112G259 L261 T265 A266 Q267 W268 L296G259-W263 WeakPolarHBondContact O-CB 3.39Å; G259-W263 PolarHBondContact O-N 2.91Å; L261-W263 VanDerWaalsContact C-N 3.29Å; L261-W263 PolarHBondContact O-N 3.45Å; W263-T265 PolarHBondContact O-N 3.15Å; W263-A266 PolarHBondContact O-N 3.02Å; W263-Q267 HydrophobicContact CD2-CG 4.14Å; W263-Q267 HydrophobicContact CZ2-CG 3.93Å; W263-Q267 WeakPolarHBondContact O-CG 3.44Å; W263-Q267 PolarHBondContact O-N 2.64Å; W263-Q267 VanDerWaalsContact O-N 3.08Å; W263-W268 HydrophobicContact CE3-CZ3 4.19Å; W263-W268 AromaticContact CH2-CH2 3.67Å; W263-W268 HydrophobicContact CH2-CH2 3.67Å; W263-W268 AromaticContact CH2-CZ3 3.52Å; W263-W268 HydrophobicContact CH2-CZ3 3.52Å; W263-W268 HydrophobicContact CZ2-CH2 4.48Å; W263-W268 HydrophobicContact CZ2-CZ3 4.28Å; W263-W268 HydrophobicContact CZ3-CH2 4.01Å; W263-W268 AromaticContact CZ3-CZ3 3.46Å; W263-W268 HydrophobicContact CZ3-CZ3 3.46Å; W263-W268 VanDerWaalsContact CZ3-CZ3 3.46Å; W263-L296 HydrophobicContact CB-CD1 4.12Å; W263-L296 HydrophobicContact CD2-CD1 3.6Å; W263-L296 HydrophobicContact CD2-CD2 4.37Å; W263-L296 HydrophobicContact CE3-CD1 3.29Å; W263-L296 HydrophobicContact CE3-CD2 4.25Å; W263-L296 HydrophobicContact CE3-CG 4.42Å; W263-L296 HydrophobicContact CG-CD1 3.96Å; W263-L296 HydrophobicContact CH2-CD2 4.23Å; W263-L296 HydrophobicContact CZ2-CD2 4.39Å; W263-L296 HydrophobicContact CZ3-CD1 3.86Å; W263-L296 HydrophobicContact CZ3-CD2 4.16Å
264F92.3Very high85.5Confident6 Ų651.6 Ų51.63%0.02627%0.267CS..Hα-helixtrans-63.4-43.9-178.3-178.2-96000112N260 L261 A266 Q267 W268 F309 L321 L322 I325N260-F264 WeakPolarHBondContact O-CB 3.38Å; N260-F264 PolarHBondContact O-N 2.9Å; N260-F264 VanDerWaalsContact O-N 3.11Å; L261-F264 PolarHBondContact O-N 2.71Å; F264-A266 VanDerWaalsContact C-N 3.33Å; F264-A266 PolarHBondContact O-N 2.83Å; F264-Q267 PolarHBondContact O-N 3.14Å; F264-W268 HydrophobicContact CD2-CD2 4.12Å; F264-W268 AromaticContact CD2-CE3 3.34Å; F264-W268 HydrophobicContact CD2-CE3 3.34Å; F264-W268 AromaticContact CD2-CZ3 3.71Å; F264-W268 HydrophobicContact CD2-CZ3 3.71Å; F264-W268 HydrophobicContact CE1-CB 4.45Å; F264-W268 AromaticContact CE2-CD2 3.86Å; F264-W268 HydrophobicContact CE2-CD2 3.86Å; F264-W268 AromaticContact CE2-CE3 3.56Å; F264-W268 HydrophobicContact CE2-CE3 3.56Å; F264-W268 HydrophobicContact CE2-CG 4.29Å; F264-W268 HydrophobicContact CE2-CZ3 4.12Å; F264-W268 HydrophobicContact CG-CE3 4.01Å; F264-W268 HydrophobicContact CZ-CB 4.33Å; F264-W268 HydrophobicContact CZ-CD2 4.39Å; F264-W268 HydrophobicContact CZ-CE3 4.37Å; F264-W268 HydrophobicContact CZ-CG 4.36Å; F264-W268 PolarHBondContact O-N 2.65Å; F264-F309 HydrophobicContact CD2-CE2 4.3Å; F264-F309 HydrophobicContact CD2-CZ 4.28Å; F264-F309 HydrophobicContact CE2-CE2 4.07Å; F264-F309 HydrophobicContact CE2-CZ 4.04Å; F264-L321 HydrophobicContact CZ-CB 3.94Å; F264-L321 HydrophobicContact CZ-CD1 4.4Å; F264-L322 HydrophobicContact CD1-CD2 3.88Å; F264-L322 HydrophobicContact CE1-CD2 3.87Å; F264-L322 HydrophobicContact CE1-CG 4.33Å; F264-I325 HydrophobicContact CB-CD1 3.65Å; F264-I325 HydrophobicContact CD1-CD1 3.64Å; F264-I325 HydrophobicContact CD2-CD1 3.79Å; F264-I325 HydrophobicContact CE1-CD1 4.21Å; F264-I325 HydrophobicContact CE2-CD1 4.34Å; F264-I325 HydrophobicContact CG-CD1 3.4Å; F264-I325 VanDerWaalsContact CG-CD1 3.4Å
265T89.4Confident85.7Confident23 Ų2356.4 Ų56.414%0.14129%0.29CS..Hα-helixtrans-65.5-37.8177.653.60000111.4L261 E262 W263 Q267 G269 I276L261-T265 HydrophobicContact CD1-CG2 4.31Å; L261-T265 HydrophobicContact CG-CG2 4.42Å; L261-T265 WeakPolarHBondContact O-CG2 3.36Å; L261-T265 PolarHBondContact O-N 2.68Å; L261-T265 PolarHBondContact O-OG1 2.85Å; E262-T265 PolarHBondContact O-OG1 2.97Å; W263-T265 PolarHBondContact O-N 3.15Å; T265-Q267 VanDerWaalsContact C-N 3.32Å; T265-Q267 PolarHBondContact O-N 3.24Å; T265-G269 CarbonylContact O-C 3.58Å; T265-G269 PolarHBondContact O-N 3.3Å; T265-I276 HydrophobicContact CG2-CD1 3.55Å
266A86.4Confident86.2Confident67 Ų6755.2 Ų55.255%0.55428%0.282SS*.Hα-helixtrans-64.2-33.117500000113.3E262 W263 F264E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.38Å; W263-A266 PolarHBondContact O-N 3.02Å; F264-A266 VanDerWaalsContact C-N 3.33Å; F264-A266 PolarHBondContact O-N 2.83Å
267Q86.8Confident86.7Confident118 Ų11856.1 Ų56.155%0.55129%0.287SS*.Hα-helixtrans-87.2-33.5-178.7-65.9-46.4-66.300113.9W263 F264 T265W263-Q267 HydrophobicContact CD2-CG 4.14Å; W263-Q267 HydrophobicContact CZ2-CG 3.93Å; W263-Q267 WeakPolarHBondContact O-CG 3.44Å; W263-Q267 PolarHBondContact O-N 2.64Å; W263-Q267 VanDerWaalsContact O-N 3.08Å; F264-Q267 PolarHBondContact O-N 3.14Å; T265-Q267 VanDerWaalsContact C-N 3.32Å; T265-Q267 PolarHBondContact O-N 3.24Å
268W83.1Confident86.8Confident142 Ų14262.4 Ų62.454%0.53832%0.316SS..Hα-helixtrans-109.520.9-174.2-77-84.5000114.2W263 F264 R318W263-W268 HydrophobicContact CE3-CZ3 4.19Å; W263-W268 AromaticContact CH2-CH2 3.67Å; W263-W268 HydrophobicContact CH2-CH2 3.67Å; W263-W268 AromaticContact CH2-CZ3 3.52Å; W263-W268 HydrophobicContact CH2-CZ3 3.52Å; W263-W268 HydrophobicContact CZ2-CH2 4.48Å; W263-W268 HydrophobicContact CZ2-CZ3 4.28Å; W263-W268 HydrophobicContact CZ3-CH2 4.01Å; W263-W268 AromaticContact CZ3-CZ3 3.46Å; W263-W268 HydrophobicContact CZ3-CZ3 3.46Å; W263-W268 VanDerWaalsContact CZ3-CZ3 3.46Å; F264-W268 HydrophobicContact CD2-CD2 4.12Å; F264-W268 AromaticContact CD2-CE3 3.34Å; F264-W268 HydrophobicContact CD2-CE3 3.34Å; F264-W268 AromaticContact CD2-CZ3 3.71Å; F264-W268 HydrophobicContact CD2-CZ3 3.71Å; F264-W268 HydrophobicContact CE1-CB 4.45Å; F264-W268 AromaticContact CE2-CD2 3.86Å; F264-W268 HydrophobicContact CE2-CD2 3.86Å; F264-W268 AromaticContact CE2-CE3 3.56Å; F264-W268 HydrophobicContact CE2-CE3 3.56Å; F264-W268 HydrophobicContact CE2-CG 4.29Å; F264-W268 HydrophobicContact CE2-CZ3 4.12Å; F264-W268 HydrophobicContact CG-CE3 4.01Å; F264-W268 HydrophobicContact CZ-CB 4.33Å; F264-W268 HydrophobicContact CZ-CD2 4.39Å; F264-W268 HydrophobicContact CZ-CE3 4.37Å; F264-W268 HydrophobicContact CZ-CG 4.36Å; F264-W268 PolarHBondContact O-N 2.65Å; W268-R318 PolarHBondContact O-NH1 2.81Å; W268-R318 PolarHBondContact O-NH2 3.01Å
269G76.6Confident86.9Confident35 Ų3563.4 Ų63.436%0.36132%0.324SS..  trans98.9137.4174.300000112.1T265 I271 R318T265-G269 CarbonylContact O-C 3.58Å; T265-G269 PolarHBondContact O-N 3.3Å; G269-I271 PolarHBondContact O-N 3.3Å; G269-I271 VanDerWaalsContact O-N 3.12Å; G269-R318 PolarHBondContact O-NH2 2.62Å
270E75.5Confident87.2Confident192 Ų19263.5 Ų63.590%0.89733%0.325SS*.  trans-61.8116.1180-66.8175.517900109.7
271I80.6Confident87.3Confident44 Ų4466.3 Ų66.323%0.22635%0.348CS..  trans-118134.9166.5-68.9-174000105.3G269 E275 I276 R318G269-I271 PolarHBondContact O-N 3.3Å; G269-I271 VanDerWaalsContact O-N 3.12Å; I271-E275 HydrophobicContact CG2-CB 3.36Å; I271-E275 HydrophobicContact CG2-CG 4.4Å; I271-I276 HydrophobicContact CB-CG1 4.14Å; I271-I276 HydrophobicContact CG2-CD1 4.49Å; I271-I276 HydrophobicContact CG2-CG1 3.62Å; I271-R318 VanDerWaalsContact CD1-NE 3.31Å; I271-R318 VanDerWaalsContact CD1-NH2 3.35Å; I271-R318 VanDerWaalsContact CG1-CZ 3.48Å
272S83Confident87.3Confident58 Ų5870.2 Ų70.241%0.40638%0.376SS..  trans-63.8152.9175.6630000111.9D274 E275 I276S272-D274 PolarHBondContact O-N 3.16Å; S272-E275 WeakPolarHBondContact CB-OE2 3.15Å; S272-E275 PolarHBondContact N-OE2 3.33Å; S272-E275 PolarHBondContact O-N 3.27Å; S272-E275 WeakPolarHBondContact OG-CB 3.48Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 3.44Å; S272-I276 WeakPolarHBondContact O-CG1 3.41Å; S272-I276 PolarHBondContact O-N 3.09Å
273F82.2Confident87.4Confident67 Ų6766.2 Ų66.229%0.29436%0.358SS..Hα-helixtrans-58.3-34.8-179.9-164.9-121.8000112.6L261 I276 N277 Y326 H358 W362L261-F273 HydrophobicContact CD2-CD2 4.35Å; L261-F273 HydrophobicContact CD2-CE2 3.97Å; F273-I276 WeakPolarHBondContact O-CB 3.48Å; F273-I276 PolarHBondContact O-N 3.24Å; F273-N277 VanDerWaalsContact O-CG 3.24Å; F273-N277 PolarHBondContact O-N 3.17Å; F273-N277 PolarHBondContact O-ND2 2.94Å; F273-Y326 WeakPolarHBondContact CE2-OH 3.47Å; F273-H358 HydrophobicContact CE1-CB 4.28Å; F273-W362 HydrophobicContact CE2-CE3 4.27Å; F273-W362 HydrophobicContact CE2-CZ3 4.06Å; F273-W362 HydrophobicContact CZ-CE3 4.15Å; F273-W362 HydrophobicContact CZ-CZ3 4.3Å
274D84Confident87.4Confident88 Ų8866.6 Ų66.647%0.47137%0.372SS..Hα-helixtrans-67.5-43.7176.5-68.7-20.9000112.9S272 I276 N277 Q278S272-D274 PolarHBondContact O-N 3.16Å; D274-I276 VanDerWaalsContact C-N 3.27Å; D274-I276 PolarHBondContact O-N 3.26Å; D274-N277 PolarHBondContact O-N 3.37Å; D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 2.99Å
275E88.6Confident87.1Confident104 Ų10474.1 Ų74.149%0.48640%0.404SS..Hα-helixtrans-63.3-35.8175.1-74.1167.2135.900111.4I271 S272 A279I271-E275 HydrophobicContact CG2-CB 3.36Å; I271-E275 HydrophobicContact CG2-CG 4.4Å; S272-E275 WeakPolarHBondContact CB-OE2 3.15Å; S272-E275 PolarHBondContact N-OE2 3.33Å; S272-E275 PolarHBondContact O-N 3.27Å; S272-E275 WeakPolarHBondContact OG-CB 3.48Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 3.44Å; E275-A279 VanDerWaalsContact O-CB 3.23Å; E275-A279 WeakPolarHBondContact O-CB 3.19Å; E275-A279 PolarHBondContact O-N 2.84Å
276I90.9Very high86.3Confident4 Ų477.9 Ų77.92%0.02144%0.437CS..Hα-helixtrans-62.6-49.4172.8-62.2168.6000109.7L261 T265 I271 S272 F273 D274 Q278 A279 V280 L322 Y326L261-I276 HydrophobicContact CD1-CD1 4.32Å; L261-I276 HydrophobicContact CD1-CG2 4.45Å; L261-I276 HydrophobicContact CD2-CD1 4.43Å; T265-I276 HydrophobicContact CG2-CD1 3.55Å; I271-I276 HydrophobicContact CB-CG1 4.14Å; I271-I276 HydrophobicContact CG2-CD1 4.49Å; I271-I276 HydrophobicContact CG2-CG1 3.62Å; S272-I276 WeakPolarHBondContact O-CG1 3.41Å; S272-I276 PolarHBondContact O-N 3.09Å; F273-I276 WeakPolarHBondContact O-CB 3.48Å; F273-I276 PolarHBondContact O-N 3.24Å; D274-I276 VanDerWaalsContact C-N 3.27Å; D274-I276 PolarHBondContact O-N 3.26Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.04Å; I276-A279 PolarHBondContact O-N 2.81Å; I276-V280 HydrophobicContact CG2-CG2 4.33Å; I276-V280 WeakPolarHBondContact O-CG2 3.37Å; I276-V280 PolarHBondContact O-N 2.85Å; I276-L322 HydrophobicContact CG1-CD1 4.3Å; I276-L322 HydrophobicContact CG1-CD2 4.33Å; I276-L322 HydrophobicContact CG2-CB 4.31Å; I276-L322 HydrophobicContact CG2-CD1 4.21Å; I276-L322 HydrophobicContact CG2-CD2 4.07Å; I276-L322 HydrophobicContact CG2-CG 4.42Å; I276-Y326 HydrophobicContact CG2-CE1 3.6Å; I276-Y326 VanDerWaalsContact CG2-OH 3.23Å; I276-Y326 WeakPolarHBondContact CG2-OH 3.38Å
277N92.7Very high85.6Confident19 Ų1977.2 Ų77.210%0.10244%0.437CS..Hα-helixtrans-59.1-44.1179.4-71.1-27.8000111.7F273 D274 A281 Y326 S359 V361F273-N277 VanDerWaalsContact O-CG 3.24Å; F273-N277 PolarHBondContact O-N 3.17Å; F273-N277 PolarHBondContact O-ND2 2.94Å; D274-N277 PolarHBondContact O-N 3.37Å; N277-A281 WeakPolarHBondContact O-CB 3.02Å; N277-A281 PolarHBondContact O-N 2.7Å; N277-Y326 PolarHBondContact OD1-OH 2.79Å; N277-S359 VanDerWaalsContact CG-OG 3.28Å; N277-S359 WeakPolarHBondContact OD1-CB 3.48Å; N277-S359 PolarHBondContact OD1-OG 3.44Å; N277-V361 HydrophobicContact CB-CG2 4.47Å
278Q92.4Very high84.9Confident132 Ų13272.8 Ų72.862%0.61742%0.423SS*.Hα-helixtrans-64.2-44.8175.9-71.5176.56.200112.1D274 I276 V280 A281 S282D274-Q278 WeakPolarHBondContact O-CG 3.34Å; D274-Q278 PolarHBondContact O-N 2.99Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.04Å; Q278-V280 PolarHBondContact O-N 2.9Å; Q278-A281 PolarHBondContact O-N 3.02Å; Q278-S282 WeakPolarHBondContact O-CB 3.22Å; Q278-S282 PolarHBondContact O-N 3.44Å
279A91.6Very high85Confident28 Ų2871.7 Ų71.723%0.23143%0.428CS..Hα-helixtrans-60.7-45.9178.700000111.3E275 I276 S282 A319E275-A279 VanDerWaalsContact O-CB 3.23Å; E275-A279 WeakPolarHBondContact O-CB 3.19Å; E275-A279 PolarHBondContact O-N 2.84Å; I276-A279 PolarHBondContact O-N 2.81Å; A279-S282 PolarHBondContact O-N 3.28Å; A279-S282 PolarHBondContact O-OG 3Å; A279-A319 HydrophobicContact CB-CB 4.03Å
280V93.3Very high85.9Confident3 Ų370.2 Ų70.22%0.01841%0.412CS..Hα-helixtrans-66.9-44.4177.2175.40000111.1I276 Q278 S282 L283 L322 Q323 Y326 V361 M365I276-V280 HydrophobicContact CG2-CG2 4.33Å; I276-V280 WeakPolarHBondContact O-CG2 3.37Å; I276-V280 PolarHBondContact O-N 2.85Å; Q278-V280 PolarHBondContact O-N 2.9Å; V280-S282 PolarHBondContact O-N 3.43Å; V280-L283 PolarHBondContact O-N 3.44Å; V280-L283 VanDerWaalsContact O-N 3.13Å; V280-L322 HydrophobicContact CG2-CB 3.91Å; V280-Q323 HydrophobicContact CG1-CB 4.19Å; V280-Q323 HydrophobicContact CG1-CG 4.33Å; V280-Q323 HydrophobicContact CG2-CB 4.37Å; V280-Y326 HydrophobicContact CG1-CD2 4.13Å; V280-Y326 HydrophobicContact CG2-CD2 4.4Å; V280-Y326 HydrophobicContact CG2-CE2 4.46Å; V280-V361 HydrophobicContact CG1-CG1 3.95Å; V280-M365 HydrophobicContact CG1-CE 3.45Å; V280-M365 VanDerWaalsContact CG1-CE 3.45Å
281A92.8Very high86.8Confident60 Ų6066.3 Ų66.350%0.49639%0.392SS..Hα-helixtrans-63.1-26.5178.600000113.7N277 Q278 L283 V361N277-A281 WeakPolarHBondContact O-CB 3.02Å; N277-A281 PolarHBondContact O-N 2.7Å; Q278-A281 PolarHBondContact O-N 3.02Å; A281-L283 PolarHBondContact O-N 2.82Å; A281-V361 HydrophobicContact CB-CG1 4.46Å; A281-V361 HydrophobicContact CB-CG2 3.87Å
282S92.5Very high87.5Confident91 Ų9164.6 Ų64.664%0.63638%0.383SS*.THydrogen-bonded Turntrans-72.4-16.8177.677.80000113.8Q278 A279 V280Q278-S282 WeakPolarHBondContact O-CB 3.22Å; Q278-S282 PolarHBondContact O-N 3.44Å; A279-S282 PolarHBondContact O-N 3.28Å; A279-S282 PolarHBondContact O-OG 3Å; V280-S282 PolarHBondContact O-N 3.43Å
283L91.8Very high88Confident25 Ų2564.6 Ų64.613%0.13138%0.378CS..SBendtrans-89154.3-178.4-64.5177.3000111.9V280 A281 K285 A319 Q323V280-L283 PolarHBondContact O-N 3.44Å; V280-L283 VanDerWaalsContact O-N 3.13Å; A281-L283 PolarHBondContact O-N 2.82Å; L283-K285 PolarHBondContact O-N 2.89Å; L283-A319 VanDerWaalsContact CD1-C 3.42Å; L283-A319 HydrophobicContact CD1-CB 3.76Å; L283-A319 WeakPolarHBondContact CD1-O 3.28Å; L283-A319 HydrophobicContact CD2-CB 4.46Å; L283-A319 HydrophobicContact CG-CB 4.25Å; L283-Q323 HydrophobicContact CD1-CB 4.11Å; L283-Q323 VanDerWaalsContact CD1-OE1 3.25Å
284P88.7Confident88.5Confident93 Ų9361.7 Ų61.760%0.60437%0.366SS*.PPolyproline II helixtrans-58.2130.8172.3-2333.9000112.1Q323P284-Q323 PolarHBondContact O-NE2 2.7Å
285K85.8Confident88.7Confident164 Ų16458.6 Ų58.671%0.71335%0.348SS*.THydrogen-bonded Turntrans-67.2137.3174.6-56.8-179.5-178.8-173.20110.2L283 G287L283-K285 PolarHBondContact O-N 2.89Å; K285-G287 PolarHBondContact O-N 2.98Å; K285-G287 VanDerWaalsContact O-N 3.08Å
286A72.3Confident88.6Confident101 Ų10156.4 Ų56.484%0.83534%0.34SS*.THydrogen-bonded Turntrans54.923.9175.900000115.5
287G72.7Confident88.1Confident53 Ų5361.1 Ų61.155%0.54636%0.358SS..  trans-107.96.6-179.400000114.9K285K285-G287 PolarHBondContact O-N 2.98Å; K285-G287 VanDerWaalsContact O-N 3.08Å
288G72.8Confident87.2Confident25 Ų2561.2 Ų61.226%0.25836%0.363SS..  trans-83.7127-174.200000113.4L290G288-L290 VanDerWaalsContact C-N 3.31Å
289D85.3Confident86.6Confident119 Ų11956 Ų5664%0.63634%0.341SS*.  trans-89.81.7168-65-33.4000112.4
290L93.7Very high85.6Confident5 Ų555.9 Ų55.93%0.02634%0.337CS..  trans-102.8118.1-178.4179.461.6000110G288 F309 Y310 M312 H316 H320 L321 A324G288-L290 VanDerWaalsContact C-N 3.31Å; L290-F309 HydrophobicContact CD1-CB 4.23Å; L290-F309 HydrophobicContact CD1-CD1 4.27Å; L290-F309 HydrophobicContact CG-CD1 4.41Å; L290-Y310 WeakPolarHBondContact CA-O 3.46Å; L290-Y310 WeakPolarHBondContact CD1-O 3.24Å; L290-M312 HydrophobicContact CD1-CB 3.83Å; L290-M312 HydrophobicContact CD1-CG 4.48Å; L290-H316 HydrophobicContact CD2-CB 4.34Å; L290-H320 HydrophobicContact CD2-CB 4.26Å; L290-L321 HydrophobicContact CD2-CD2 4.05Å; L290-L321 HydrophobicContact CD2-CG 4.2Å; L290-A324 HydrophobicContact CB-CB 4.45Å; L290-A324 HydrophobicContact CD2-CB 4.2Å; L290-A324 HydrophobicContact CG-CB 3.89Å; L290-A324 VanDerWaalsContact O-CB 3.32Å; L290-A324 WeakPolarHBondContact O-CB 3.45Å
291F94.7Very high84.6Confident110 Ų11059.4 Ų59.448%0.48237%0.366SS..EExtended strand (participates in β ladder)trans-107.7146.1178.6-59.9-84.1000111F309 Y310F291-F309 CarbonylContact O-C 3.53Å; F291-F309 VanDerWaalsContact O-CA 3.3Å; F291-F309 WeakPolarHBondContact O-CA 3.38Å; F291-Y310 PolarHBondContact N-O 3.49Å; F291-Y310 PolarHBondContact O-N 2.9Å
292F95.2Very high83.4Confident7 Ų758.1 Ų58.13%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-118.1128.4169.4177.8-110.3000109.8N260 P294 L296 S307 F309 A324 I325 G328N260-F292 HydrophobicContact CB-CE1 3.73Å; N260-F292 HydrophobicContact CB-CZ 4.05Å; F292-P294 HydrophobicContact CD1-CB 4.01Å; F292-P294 VanDerWaalsContact CE1-CA 3.43Å; F292-P294 HydrophobicContact CE1-CB 3.67Å; F292-P294 WeakPolarHBondContact O-CD 3.08Å; F292-L296 HydrophobicContact CZ-CD1 4.39Å; F292-S307 VanDerWaalsContact CE2-OG 3.23Å; F292-S307 WeakPolarHBondContact CE2-OG 3.27Å; F292-S307 VanDerWaalsContact CZ-OG 3.29Å; F292-S307 WeakPolarHBondContact CZ-OG 3.43Å; F292-F309 HydrophobicContact CB-CD1 3.95Å; F292-F309 HydrophobicContact CB-CE1 3.82Å; F292-F309 AromaticContact CD2-CD1 3.81Å; F292-F309 HydrophobicContact CD2-CD1 3.81Å; F292-F309 HydrophobicContact CD2-CD2 4.04Å; F292-F309 AromaticContact CD2-CE1 3.57Å; F292-F309 HydrophobicContact CD2-CE1 3.57Å; F292-F309 AromaticContact CD2-CE2 3.81Å; F292-F309 HydrophobicContact CD2-CE2 3.81Å; F292-F309 HydrophobicContact CD2-CG 4.05Å; F292-F309 AromaticContact CD2-CZ 3.58Å; F292-F309 HydrophobicContact CD2-CZ 3.58Å; F292-F309 HydrophobicContact CE2-CD2 4.43Å; F292-F309 HydrophobicContact CE2-CE1 4.46Å; F292-F309 HydrophobicContact CE2-CE2 4Å; F292-F309 HydrophobicContact CE2-CZ 4.04Å; F292-F309 HydrophobicContact CG-CD1 4.32Å; F292-F309 AromaticContact CG-CE1 3.97Å; F292-F309 HydrophobicContact CG-CE1 3.97Å; F292-F309 HydrophobicContact CG-CZ 4.28Å; F292-A324 HydrophobicContact CB-CB 4.14Å; F292-A324 VanDerWaalsContact CB-O 3.32Å; F292-A324 WeakPolarHBondContact CB-O 3.45Å; F292-I325 HydrophobicContact CB-CG1 4.42Å; F292-I325 HydrophobicContact CD1-CB 4.15Å; F292-I325 HydrophobicContact CD1-CG1 3.78Å; F292-I325 HydrophobicContact CD1-CG2 4.34Å; F292-I325 HydrophobicContact CD2-CG1 4.22Å; F292-I325 HydrophobicContact CE1-CB 4.49Å; F292-I325 HydrophobicContact CE1-CG1 4Å; F292-I325 HydrophobicContact CE1-CG2 4.29Å; F292-I325 HydrophobicContact CE2-CG1 4.45Å; F292-I325 HydrophobicContact CG-CG1 3.88Å; F292-I325 HydrophobicContact CZ-CG1 4.34Å; F292-G328 WeakPolarHBondContact O-CA 3.45Å
293L94Very high82.1Confident59 Ų5960.8 Ų60.831%0.30937%0.365SS..EExtended strand (participates in β ladder)trans-90.6111.1169.3-62.5-174.1000109F295 S307 G308 Y310L293-F295 VanDerWaalsContact C-N 3.28Å; L293-F295 HydrophobicContact CB-CD2 4.02Å; L293-F295 HydrophobicContact CB-CE2 4.13Å; L293-F295 HydrophobicContact CD1-CE2 4.41Å; L293-F295 HydrophobicContact CD2-CE2 4.49Å; L293-F295 PolarHBondContact O-N 2.96Å; L293-S307 WeakPolarHBondContact O-CA 3.39Å; L293-S307 VanDerWaalsContact O-CB 3.27Å; L293-S307 WeakPolarHBondContact O-CB 3.35Å; L293-S307 PolarHBondContact O-OG 2.99Å; L293-G308 PolarHBondContact N-O 3.33Å; L293-G308 PolarHBondContact O-N 2.75Å; L293-Y310 HydrophobicContact CB-CE2 4.25Å; L293-Y310 HydrophobicContact CD1-CD2 4.11Å; L293-Y310 HydrophobicContact CD1-CE2 3.33Å; L293-Y310 HydrophobicContact CG-CD2 3.94Å; L293-Y310 HydrophobicContact CG-CE2 3.55Å
294P92.3Very high81.3Confident5 Ų567 Ų673%0.03239%0.393CS..  trans-84.567.1-173.337.1-38.5000110.3T256 N260 F292 G328 V329T256-P294 VanDerWaalsContact CB-O 3.25Å; T256-P294 WeakPolarHBondContact CB-O 3.25Å; T256-P294 VanDerWaalsContact CG2-O 3.3Å; T256-P294 WeakPolarHBondContact CG2-O 3.41Å; T256-P294 PolarHBondContact OG1-O 3.37Å; N260-P294 HydrophobicContact CB-CB 4.45Å; N260-P294 WeakPolarHBondContact OD1-CA 2.98Å; F292-P294 HydrophobicContact CD1-CB 4.01Å; F292-P294 VanDerWaalsContact CE1-CA 3.43Å; F292-P294 HydrophobicContact CE1-CB 3.67Å; F292-P294 WeakPolarHBondContact O-CD 3.08Å; P294-G328 WeakPolarHBondContact CG-O 3.38Å; P294-V329 HydrophobicContact CB-CG2 4.03Å
295F89.6Confident81Confident23 Ų2367.1 Ų67.110%0.10139%0.387CS..  trans-116.627.1-176.8-55.6-37.6000113.9T256 L293 Y297 G298 S299 N300 M305T256-F295 HydrophobicContact CG2-CD1 4.24Å; L293-F295 VanDerWaalsContact C-N 3.28Å; L293-F295 HydrophobicContact CB-CD2 4.02Å; L293-F295 HydrophobicContact CB-CE2 4.13Å; L293-F295 HydrophobicContact CD1-CE2 4.41Å; L293-F295 HydrophobicContact CD2-CE2 4.49Å; L293-F295 PolarHBondContact O-N 2.96Å; F295-Y297 VanDerWaalsContact C-N 3.26Å; F295-Y297 PolarHBondContact O-N 3.15Å; F295-G298 VanDerWaalsContact CA-O 3.25Å; F295-G298 WeakPolarHBondContact CA-O 3.48Å; F295-G298 PolarHBondContact O-N 3.08Å; F295-S299 WeakPolarHBondContact CD1-OG 3.47Å; F295-S299 VanDerWaalsContact CE1-OG 3.31Å; F295-S299 WeakPolarHBondContact CE1-OG 3.24Å; F295-S299 WeakPolarHBondContact CZ-OG 3.36Å; F295-N300 WeakPolarHBondContact CE1-OD1 3.37Å; F295-M305 HydrophobicContact CD2-CB 3.84Å; F295-M305 HydrophobicContact CE2-CB 4.24Å; F295-M305 HydrophobicContact CG-CB 4.46Å
296L85.9Confident80.9Confident59 Ų5964 Ų6431%0.30938%0.382SS..SBendtrans-60.6-36.4-177.2-74.5168.8000112.7N260 W263 F292N260-L296 HydrophobicContact CB-CD1 4.13Å; N260-L296 WeakPolarHBondContact OD1-CB 3.18Å; N260-L296 WeakPolarHBondContact OD1-CD1 3.36Å; N260-L296 WeakPolarHBondContact OD1-CG 3.11Å; N260-L296 PolarHBondContact OD1-N 2.78Å; W263-L296 HydrophobicContact CB-CD1 4.12Å; W263-L296 HydrophobicContact CD2-CD1 3.6Å; W263-L296 HydrophobicContact CD2-CD2 4.37Å; W263-L296 HydrophobicContact CE3-CD1 3.29Å; W263-L296 HydrophobicContact CE3-CD2 4.25Å; W263-L296 HydrophobicContact CE3-CG 4.42Å; W263-L296 HydrophobicContact CG-CD1 3.96Å; W263-L296 HydrophobicContact CH2-CD2 4.23Å; W263-L296 HydrophobicContact CZ2-CD2 4.39Å; W263-L296 HydrophobicContact CZ3-CD1 3.86Å; W263-L296 HydrophobicContact CZ3-CD2 4.16Å; F292-L296 HydrophobicContact CZ-CD1 4.39Å
297Y79.6Confident81.8Confident103 Ų10360.8 Ų60.840%0.40435%0.353SS..SBendtrans-106.6-1.7-176.8-57.8-73.6000113.1P255 F295P255-Y297 CarbonylContact O-C 3.59Å; P255-Y297 WeakPolarHBondContact O-CB 3.18Å; F295-Y297 VanDerWaalsContact C-N 3.26Å; F295-Y297 PolarHBondContact O-N 3.15Å
298G74.9Confident82.7Confident20 Ų2059.1 Ų59.121%0.20634%0.336CS..  trans137.8177.9-179.100000111.9T256 F295T256-G298 WeakPolarHBondContact CB-O 3.29Å; T256-G298 WeakPolarHBondContact CG2-O 3.46Å; F295-G298 VanDerWaalsContact CA-O 3.25Å; F295-G298 WeakPolarHBondContact CA-O 3.48Å; F295-G298 PolarHBondContact O-N 3.08Å
299S78.7Confident83.8Confident22 Ų2260.7 Ų60.715%0.15434%0.336CS..  trans-132.5155-171.6179.80000112.4F295 A301 G302F295-S299 WeakPolarHBondContact CD1-OG 3.47Å; F295-S299 VanDerWaalsContact CE1-OG 3.31Å; F295-S299 WeakPolarHBondContact CE1-OG 3.24Å; F295-S299 WeakPolarHBondContact CZ-OG 3.36Å; S299-A301 PolarHBondContact OG-N 2.98Å; S299-G302 WeakPolarHBondContact CB-O 3.38Å
300N71.9Confident84.3Confident27 Ų2760.6 Ų60.614%0.14433%0.327CS..SBendtrans-88.3-7.5167.656.20.4000113.3F295 S332 T335F295-N300 WeakPolarHBondContact CE1-OD1 3.37Å; N300-S332 PolarHBondContact ND2-O 3.39Å; N300-S332 VanDerWaalsContact ND2-O 3.08Å; N300-S332 PolarHBondContact ND2-OG 3.38Å; N300-T335 WeakPolarHBondContact ND2-CB 3.29Å; N300-T335 PolarHBondContact ND2-OG1 3.39Å
301A70.5Confident84.3Confident77 Ų7762.4 Ų62.464%0.63635%0.347SS*.SBendtrans-108.7-13.1-173.800000114.3S299S299-A301 PolarHBondContact OG-N 2.98Å
302G68.4Low84.2Confident33 Ų3363.1 Ų63.134%0.3435%0.353SS..  trans163.9152.4176.700000113.6S299 E304 M305S299-G302 WeakPolarHBondContact CB-O 3.38Å; G302-E304 VanDerWaalsContact C-N 3.28Å; G302-E304 PolarHBondContact O-N 3.34Å; G302-M305 PolarHBondContact O-N 3.28Å
303L66.1Low84.1Confident147 Ų14768.7 Ų68.777%0.7738%0.379SS*.THydrogen-bonded Turntrans-62.6-29.2-174.1-71.7168.5000114.4
304E74.1Confident83.9Confident155 Ų15571.2 Ų71.272%0.72441%0.409SS*.THydrogen-bonded Turntrans-97.25.8-174.7-59-66.1148.800113.1G302G302-E304 VanDerWaalsContact C-N 3.28Å; G302-E304 PolarHBondContact O-N 3.34Å
305M81.6Confident83.9Confident96 Ų9676.9 Ų76.947%0.47344%0.438SS..  trans-75137.9-177.9-68-72.885.200111.6F295 G302F295-M305 HydrophobicContact CD2-CB 3.84Å; F295-M305 HydrophobicContact CE2-CB 4.24Å; F295-M305 HydrophobicContact CG-CB 4.46Å; G302-M305 PolarHBondContact O-N 3.28Å
306T84Confident84.1Confident98 Ų9877.5 Ų77.560%0.60144%0.441SS*.  trans-117.2158.1-177.853.90000111.1
307S91Very high84.4Confident33 Ų3378.1 Ų78.123%0.23145%0.447CS..  trans-79.3149.2176.1-176.30000111.6F292 L293F292-S307 VanDerWaalsContact CE2-OG 3.23Å; F292-S307 WeakPolarHBondContact CE2-OG 3.27Å; F292-S307 VanDerWaalsContact CZ-OG 3.29Å; F292-S307 WeakPolarHBondContact CZ-OG 3.43Å; L293-S307 WeakPolarHBondContact O-CA 3.39Å; L293-S307 VanDerWaalsContact O-CB 3.27Å; L293-S307 WeakPolarHBondContact O-CB 3.35Å; L293-S307 PolarHBondContact O-OG 2.99Å
308G93.3Very high85Confident18 Ų1877.3 Ų77.319%0.18644%0.443CS..EExtended strand (participates in β ladder)trans-172.7155.4174.900000113.3L293 Y310L293-G308 PolarHBondContact N-O 3.33Å; L293-G308 PolarHBondContact O-N 2.75Å; G308-Y310 WeakPolarHBondContact O-CD2 3.32Å; G308-Y310 WeakPolarHBondContact O-CE2 3.28Å
309F95.4Very high85.8Confident59 Ų5977.1 Ų77.126%0.25944%0.44SS..EExtended strand (participates in β ladder)trans-91.5133.9166.8-72.2-80.6000110.2F264 L290 F291 F292 L321 A324 I325F264-F309 HydrophobicContact CD2-CE2 4.3Å; F264-F309 HydrophobicContact CD2-CZ 4.28Å; F264-F309 HydrophobicContact CE2-CE2 4.07Å; F264-F309 HydrophobicContact CE2-CZ 4.04Å; L290-F309 HydrophobicContact CD1-CB 4.23Å; L290-F309 HydrophobicContact CD1-CD1 4.27Å; L290-F309 HydrophobicContact CG-CD1 4.41Å; F291-F309 CarbonylContact O-C 3.53Å; F291-F309 VanDerWaalsContact O-CA 3.3Å; F291-F309 WeakPolarHBondContact O-CA 3.38Å; F292-F309 HydrophobicContact CB-CD1 3.95Å; F292-F309 HydrophobicContact CB-CE1 3.82Å; F292-F309 AromaticContact CD2-CD1 3.81Å; F292-F309 HydrophobicContact CD2-CD1 3.81Å; F292-F309 HydrophobicContact CD2-CD2 4.04Å; F292-F309 AromaticContact CD2-CE1 3.57Å; F292-F309 HydrophobicContact CD2-CE1 3.57Å; F292-F309 AromaticContact CD2-CE2 3.81Å; F292-F309 HydrophobicContact CD2-CE2 3.81Å; F292-F309 HydrophobicContact CD2-CG 4.05Å; F292-F309 AromaticContact CD2-CZ 3.58Å; F292-F309 HydrophobicContact CD2-CZ 3.58Å; F292-F309 HydrophobicContact CE2-CD2 4.43Å; F292-F309 HydrophobicContact CE2-CE1 4.46Å; F292-F309 HydrophobicContact CE2-CE2 4Å; F292-F309 HydrophobicContact CE2-CZ 4.04Å; F292-F309 HydrophobicContact CG-CD1 4.32Å; F292-F309 AromaticContact CG-CE1 3.97Å; F292-F309 HydrophobicContact CG-CE1 3.97Å; F292-F309 HydrophobicContact CG-CZ 4.28Å; F309-L321 HydrophobicContact CD1-CD2 3.65Å; F309-L321 HydrophobicContact CD2-CD2 4.03Å; F309-L321 HydrophobicContact CE1-CB 4.22Å; F309-L321 HydrophobicContact CE1-CD2 3.53Å; F309-L321 HydrophobicContact CE1-CG 4.48Å; F309-L321 HydrophobicContact CE2-CD2 3.93Å; F309-L321 HydrophobicContact CG-CD2 3.88Å; F309-L321 HydrophobicContact CZ-CB 4.27Å; F309-L321 HydrophobicContact CZ-CD2 3.66Å; F309-A324 HydrophobicContact CD1-CB 4.37Å; F309-A324 HydrophobicContact CE1-CB 4.14Å; F309-I325 HydrophobicContact CE1-CG1 4.05Å; F309-I325 HydrophobicContact CZ-CD1 3.88Å; F309-I325 HydrophobicContact CZ-CG1 3.81Å
310Y95Very high86.5Confident117 Ų11778.5 Ų78.546%0.45944%0.444SS..EExtended strand (participates in β ladder)trans-126.5132.2-177.7-63.8-94.5000110L290 F291 L293 G308L290-Y310 WeakPolarHBondContact CA-O 3.46Å; L290-Y310 WeakPolarHBondContact CD1-O 3.24Å; F291-Y310 PolarHBondContact N-O 3.49Å; F291-Y310 PolarHBondContact O-N 2.9Å; L293-Y310 HydrophobicContact CB-CE2 4.25Å; L293-Y310 HydrophobicContact CD1-CD2 4.11Å; L293-Y310 HydrophobicContact CD1-CE2 3.33Å; L293-Y310 HydrophobicContact CG-CD2 3.94Å; L293-Y310 HydrophobicContact CG-CE2 3.55Å; G308-Y310 WeakPolarHBondContact O-CD2 3.32Å; G308-Y310 WeakPolarHBondContact O-CE2 3.28Å
311G93.8Very high87.6Confident42 Ų4278.7 Ų78.743%0.43345%0.445SS..SBendtrans95.65.7-179.300000115.3Q313 H316G311-Q313 PolarHBondContact O-N 3.33Å; G311-H316 PolarHBondContact O-CE1 3.4Å
312M92.5Very high88.7Confident126 Ų12675.1 Ų75.162%0.62142%0.415SS*.  trans-65.8122-175.7-168.7172.960.800113.3L290 L321L290-M312 HydrophobicContact CD1-CB 3.83Å; L290-M312 HydrophobicContact CD1-CG 4.48Å; M312-L321 HydrophobicContact SD-CD2 4.21Å
313Q92.5Very high90Very high123 Ų12374 Ų7458%0.57540%0.401SS*.  trans-118.6167.3170.2-59-17817.700111.3G311 I315 H316G311-Q313 PolarHBondContact O-N 3.33Å; Q313-I315 HydrophobicContact CB-CG1 4.14Å; Q313-I315 PolarHBondContact O-N 2.93Å; Q313-H316 PolarHBondContact N-CE1 2.93Å; Q313-H316 PolarHBondContact N-ND1 2.94Å; Q313-H316 PolarHBondContact O-N 3.05Å; Q313-H316 VanDerWaalsContact O-N 3.08Å; Q313-H316 PolarHBondContact O-ND1 3.35Å
314A91.6Very high91.4Very high113 Ų11367 Ų6793%0.93437%0.365SS*.THydrogen-bonded Turntrans-63.7-12.7-177.100000115H316A314-H316 VanDerWaalsContact C-N 3.35Å
315I91.4Very high92.4Very high124 Ų12459.6 Ų59.664%0.63633%0.33SS*.THydrogen-bonded Turntrans-77.5-20175.460.9171.1000113Q313Q313-I315 HydrophobicContact CB-CG1 4.14Å; Q313-I315 PolarHBondContact O-N 2.93Å
316H93.2Very high93Very high35 Ų3555 Ų5516%0.16231%0.308CS..  trans-76.5137.1-177.9-60.6126.5000111.2L290 G311 Q313 A314 H320L290-H316 HydrophobicContact CD2-CB 4.34Å; G311-H316 PolarHBondContact O-CE1 3.4Å; Q313-H316 PolarHBondContact N-CE1 2.93Å; Q313-H316 PolarHBondContact N-ND1 2.94Å; Q313-H316 PolarHBondContact O-N 3.05Å; Q313-H316 VanDerWaalsContact O-N 3.08Å; Q313-H316 PolarHBondContact O-ND1 3.35Å; A314-H316 VanDerWaalsContact C-N 3.35Å; H316-H320 HydrophobicContact CB-CB 4.03Å; H316-H320 AromaticContact CD2-CD2 3.93Å
317T92.4Very high93.5Very high73 Ų7351.6 Ų51.645%0.44829%0.285SS..  trans-106176.3176.9690000110.5A319 H320 L321T317-A319 PolarHBondContact O-N 2.85Å; T317-A319 PolarHBondContact OG1-N 3.18Å; T317-H320 PolarHBondContact N-ND1 3Å; T317-H320 WeakPolarHBondContact O-CB 3.38Å; T317-H320 PolarHBondContact O-N 2.96Å; T317-H320 PolarHBondContact OG1-ND1 3.3Å; T317-L321 PolarHBondContact O-N 2.64Å
318R91.9Very high93.7Very high85 Ų8550.2 Ų50.232%0.32128%0.275SS..Hα-helixtrans-54.7-37.1172.8-170174.3-178.4-179.6-2.3113.3W268 G269 I271 H320 L321 L322W268-R318 PolarHBondContact O-NH1 2.81Å; W268-R318 PolarHBondContact O-NH2 3.01Å; G269-R318 PolarHBondContact O-NH2 2.62Å; I271-R318 VanDerWaalsContact CD1-NE 3.31Å; I271-R318 VanDerWaalsContact CD1-NH2 3.35Å; I271-R318 VanDerWaalsContact CG1-CZ 3.48Å; R318-H320 VanDerWaalsContact C-N 3.3Å; R318-H320 PolarHBondContact O-N 3.48Å; R318-L321 WeakPolarHBondContact O-CB 3.38Å; R318-L321 PolarHBondContact O-N 2.99Å; R318-L322 HydrophobicContact CG-CD1 4.34Å; R318-L322 WeakPolarHBondContact O-CG 3.22Å; R318-L322 PolarHBondContact O-N 3.11Å
319A92.9Very high93.7Very high17 Ų1749.3 Ų49.314%0.1427%0.267CS..Hα-helixtrans-61.7-38.9176.400000111.9A279 L283 T317 L321 L322 Q323A279-A319 HydrophobicContact CB-CB 4.03Å; L283-A319 VanDerWaalsContact CD1-C 3.42Å; L283-A319 HydrophobicContact CD1-CB 3.76Å; L283-A319 WeakPolarHBondContact CD1-O 3.28Å; L283-A319 HydrophobicContact CD2-CB 4.46Å; L283-A319 HydrophobicContact CG-CB 4.25Å; T317-A319 PolarHBondContact O-N 2.85Å; T317-A319 PolarHBondContact OG1-N 3.18Å; A319-L321 PolarHBondContact O-N 3.37Å; A319-L322 PolarHBondContact O-N 2.97Å; A319-Q323 PolarHBondContact O-N 3.49Å
320H94.2Very high93.7Very high51 Ų5146.6 Ų46.624%0.23626%0.255CS..Hα-helixtrans-67-37.3177.5-62.887000111.7L290 H316 T317 R318 Q323 A324L290-H320 HydrophobicContact CD2-CB 4.26Å; H316-H320 HydrophobicContact CB-CB 4.03Å; H316-H320 AromaticContact CD2-CD2 3.93Å; T317-H320 PolarHBondContact N-ND1 3Å; T317-H320 WeakPolarHBondContact O-CB 3.38Å; T317-H320 PolarHBondContact O-N 2.96Å; T317-H320 PolarHBondContact OG1-ND1 3.3Å; R318-H320 VanDerWaalsContact C-N 3.3Å; R318-H320 PolarHBondContact O-N 3.48Å; H320-Q323 PolarHBondContact O-N 2.93Å; H320-A324 WeakPolarHBondContact O-CB 3.27Å; H320-A324 PolarHBondContact O-N 2.88Å
321L94.2Very high93.5Very high31 Ų3145.4 Ų45.416%0.16225%0.252CS..Hα-helixtrans-64.8-41.3174.4-71153.3000111.4F264 L290 F309 M312 T317 R318 A319 A324 I325F264-L321 HydrophobicContact CZ-CB 3.94Å; F264-L321 HydrophobicContact CZ-CD1 4.4Å; L290-L321 HydrophobicContact CD2-CD2 4.05Å; L290-L321 HydrophobicContact CD2-CG 4.2Å; F309-L321 HydrophobicContact CD1-CD2 3.65Å; F309-L321 HydrophobicContact CD2-CD2 4.03Å; F309-L321 HydrophobicContact CE1-CB 4.22Å; F309-L321 HydrophobicContact CE1-CD2 3.53Å; F309-L321 HydrophobicContact CE1-CG 4.48Å; F309-L321 HydrophobicContact CE2-CD2 3.93Å; F309-L321 HydrophobicContact CG-CD2 3.88Å; F309-L321 HydrophobicContact CZ-CB 4.27Å; F309-L321 HydrophobicContact CZ-CD2 3.66Å; M312-L321 HydrophobicContact SD-CD2 4.21Å; T317-L321 PolarHBondContact O-N 2.64Å; R318-L321 WeakPolarHBondContact O-CB 3.38Å; R318-L321 PolarHBondContact O-N 2.99Å; A319-L321 PolarHBondContact O-N 3.37Å; L321-A324 PolarHBondContact O-N 2.83Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.15Å
322L94.2Very high93.5Very high2 Ų243.7 Ų43.71%0.0123%0.233CC..Hα-helixtrans-65-44.2176.1-68.5166.1000111.7L261 F264 I276 V280 R318 A319 A324 I325 Y326L261-L322 HydrophobicContact CD1-CD2 3.84Å; F264-L322 HydrophobicContact CD1-CD2 3.88Å; F264-L322 HydrophobicContact CE1-CD2 3.87Å; F264-L322 HydrophobicContact CE1-CG 4.33Å; I276-L322 HydrophobicContact CG1-CD1 4.3Å; I276-L322 HydrophobicContact CG1-CD2 4.33Å; I276-L322 HydrophobicContact CG2-CB 4.31Å; I276-L322 HydrophobicContact CG2-CD1 4.21Å; I276-L322 HydrophobicContact CG2-CD2 4.07Å; I276-L322 HydrophobicContact CG2-CG 4.42Å; V280-L322 HydrophobicContact CG2-CB 3.91Å; R318-L322 HydrophobicContact CG-CD1 4.34Å; R318-L322 WeakPolarHBondContact O-CG 3.22Å; R318-L322 PolarHBondContact O-N 3.11Å; A319-L322 PolarHBondContact O-N 2.97Å; L322-A324 PolarHBondContact O-N 2.86Å; L322-I325 PolarHBondContact O-N 3.2Å; L322-Y326 WeakPolarHBondContact O-CD1 3.44Å; L322-Y326 PolarHBondContact O-N 3.45Å
323Q94.7Very high93.5Very high8 Ų837.9 Ų37.94%0.03721%0.205CC..Hα-helixtrans-59.3-46.6174178.7178.214.700111.2V280 L283 P284 A319 H320 I325 Y326 E327 M365V280-Q323 HydrophobicContact CG1-CB 4.19Å; V280-Q323 HydrophobicContact CG1-CG 4.33Å; V280-Q323 HydrophobicContact CG2-CB 4.37Å; L283-Q323 HydrophobicContact CD1-CB 4.11Å; L283-Q323 VanDerWaalsContact CD1-OE1 3.25Å; P284-Q323 PolarHBondContact O-NE2 2.7Å; A319-Q323 PolarHBondContact O-N 3.49Å; H320-Q323 PolarHBondContact O-N 2.93Å; Q323-I325 VanDerWaalsContact C-N 3.26Å; Q323-I325 PolarHBondContact O-N 3.44Å; Q323-Y326 WeakPolarHBondContact O-CB 3.33Å; Q323-Y326 PolarHBondContact O-N 3.04Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å; Q323-E327 HydrophobicContact CG-CG 4.29Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.44Å; Q323-E327 PolarHBondContact NE2-OE1 2.64Å; Q323-E327 WeakPolarHBondContact O-CB 3.4Å; Q323-E327 WeakPolarHBondContact O-CG 3.46Å; Q323-E327 PolarHBondContact O-N 3.24Å; Q323-M365 HydrophobicContact CG-CE 4.45Å
324A95.8Very high93.6Very high1 Ų132.8 Ų32.81%0.00818%0.181CC..Hα-helixtrans-59.6-37.3177.600000112L290 F292 F309 H320 L321 L322 G328L290-A324 HydrophobicContact CB-CB 4.45Å; L290-A324 HydrophobicContact CD2-CB 4.2Å; L290-A324 HydrophobicContact CG-CB 3.89Å; L290-A324 VanDerWaalsContact O-CB 3.32Å; L290-A324 WeakPolarHBondContact O-CB 3.45Å; F292-A324 HydrophobicContact CB-CB 4.14Å; F292-A324 VanDerWaalsContact CB-O 3.32Å; F292-A324 WeakPolarHBondContact CB-O 3.45Å; F309-A324 HydrophobicContact CD1-CB 4.37Å; F309-A324 HydrophobicContact CE1-CB 4.14Å; H320-A324 WeakPolarHBondContact O-CB 3.27Å; H320-A324 PolarHBondContact O-N 2.88Å; L321-A324 PolarHBondContact O-N 2.83Å; L322-A324 PolarHBondContact O-N 2.86Å; A324-G328 PolarHBondContact O-N 2.78Å
325I95Very high93.6Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-64.7-47.4173.4-68.8162.9000111.1L261 F264 F292 F309 L321 L322 Q323 E327 G328 V329L261-I325 HydrophobicContact CB-CG2 4.06Å; L261-I325 HydrophobicContact CD1-CG2 4.13Å; F264-I325 HydrophobicContact CB-CD1 3.65Å; F264-I325 HydrophobicContact CD1-CD1 3.64Å; F264-I325 HydrophobicContact CD2-CD1 3.79Å; F264-I325 HydrophobicContact CE1-CD1 4.21Å; F264-I325 HydrophobicContact CE2-CD1 4.34Å; F264-I325 HydrophobicContact CG-CD1 3.4Å; F264-I325 VanDerWaalsContact CG-CD1 3.4Å; F292-I325 HydrophobicContact CB-CG1 4.42Å; F292-I325 HydrophobicContact CD1-CB 4.15Å; F292-I325 HydrophobicContact CD1-CG1 3.78Å; F292-I325 HydrophobicContact CD1-CG2 4.34Å; F292-I325 HydrophobicContact CD2-CG1 4.22Å; F292-I325 HydrophobicContact CE1-CB 4.49Å; F292-I325 HydrophobicContact CE1-CG1 4Å; F292-I325 HydrophobicContact CE1-CG2 4.29Å; F292-I325 HydrophobicContact CE2-CG1 4.45Å; F292-I325 HydrophobicContact CG-CG1 3.88Å; F292-I325 HydrophobicContact CZ-CG1 4.34Å; F309-I325 HydrophobicContact CE1-CG1 4.05Å; F309-I325 HydrophobicContact CZ-CD1 3.88Å; F309-I325 HydrophobicContact CZ-CG1 3.81Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.15Å; L322-I325 PolarHBondContact O-N 3.2Å; Q323-I325 VanDerWaalsContact C-N 3.26Å; Q323-I325 PolarHBondContact O-N 3.44Å; I325-E327 VanDerWaalsContact C-N 3.35Å; I325-E327 PolarHBondContact O-N 2.75Å; I325-G328 PolarHBondContact O-N 2.84Å; I325-V329 HydrophobicContact CG2-CG2 4.4Å; I325-V329 WeakPolarHBondContact O-CB 3.48Å; I325-V329 VanDerWaalsContact O-CG2 3.32Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.47Å
326Y94.6Very high93.6Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-56.7-50.7178.5-86.837.1000110.8L261 F273 I276 N277 V280 L322 Q323 V330 W362 M365L261-Y326 HydrophobicContact CD1-CD1 4.41Å; L261-Y326 HydrophobicContact CD1-CE1 3.95Å; L261-Y326 HydrophobicContact CD2-CE1 3.62Å; L261-Y326 HydrophobicContact CG-CE1 4.41Å; F273-Y326 WeakPolarHBondContact CE2-OH 3.47Å; I276-Y326 HydrophobicContact CG2-CE1 3.6Å; I276-Y326 VanDerWaalsContact CG2-OH 3.23Å; I276-Y326 WeakPolarHBondContact CG2-OH 3.38Å; N277-Y326 PolarHBondContact OD1-OH 2.79Å; V280-Y326 HydrophobicContact CG1-CD2 4.13Å; V280-Y326 HydrophobicContact CG2-CD2 4.4Å; V280-Y326 HydrophobicContact CG2-CE2 4.46Å; L322-Y326 WeakPolarHBondContact O-CD1 3.44Å; L322-Y326 PolarHBondContact O-N 3.45Å; Q323-Y326 WeakPolarHBondContact O-CB 3.33Å; Q323-Y326 PolarHBondContact O-N 3.04Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å; Y326-V330 WeakPolarHBondContact O-CG2 3.31Å; Y326-V330 PolarHBondContact O-N 3.02Å; Y326-W362 HydrophobicContact CD1-CD2 4.13Å; Y326-W362 AromaticContact CD1-CE2 3.96Å; Y326-W362 HydrophobicContact CD1-CE3 4.25Å; Y326-W362 HydrophobicContact CD1-CH2 4.12Å; Y326-W362 AromaticContact CD1-CZ2 3.96Å; Y326-W362 HydrophobicContact CD1-CZ2 3.96Å; Y326-W362 HydrophobicContact CD1-CZ3 4.27Å; Y326-W362 HydrophobicContact CD2-CB 3.88Å; Y326-W362 AromaticContact CD2-CD1 3.84Å; Y326-W362 AromaticContact CD2-CD2 3.65Å; Y326-W362 HydrophobicContact CD2-CD2 3.65Å; Y326-W362 HydrophobicContact CD2-CE3 4.14Å; Y326-W362 AromaticContact CD2-CG 3.54Å; Y326-W362 HydrophobicContact CD2-CG 3.54Å; Y326-W362 HydrophobicContact CE1-CD2 4.2Å; Y326-W362 AromaticContact CE1-CE3 3.89Å; Y326-W362 HydrophobicContact CE1-CE3 3.89Å; Y326-W362 HydrophobicContact CE1-CH2 4.09Å; Y326-W362 HydrophobicContact CE1-CZ2 4.36Å; Y326-W362 AromaticContact CE1-CZ3 3.84Å; Y326-W362 HydrophobicContact CE1-CZ3 3.84Å; Y326-W362 HydrophobicContact CE2-CB 3.85Å; Y326-W362 AromaticContact CE2-CD2 3.74Å; Y326-W362 HydrophobicContact CE2-CD2 3.74Å; Y326-W362 AromaticContact CE2-CE3 3.77Å; Y326-W362 HydrophobicContact CE2-CE3 3.77Å; Y326-W362 AromaticContact CE2-CG 3.81Å; Y326-W362 HydrophobicContact CE2-CG 3.81Å; Y326-W362 AromaticContact CG-CD2 3.84Å; Y326-W362 HydrophobicContact CG-CD2 3.84Å; Y326-W362 AromaticContact CG-CE2 3.73Å; Y326-W362 HydrophobicContact CG-CE3 4.36Å; Y326-W362 HydrophobicContact CG-CG 4.07Å; Y326-W362 HydrophobicContact CG-CZ2 4.18Å; Y326-W362 AromaticContact CG-NE1 3.85Å; Y326-W362 AromaticContact CZ-CD2 4Å; Y326-W362 AromaticContact CZ-CE3 3.61Å; Y326-W362 AromaticContact CZ-CZ3 3.98Å; Y326-W362 PolarHBondContact O-NE1 3.36Å; Y326-M365 HydrophobicContact CD2-SD 4.35Å
327E94.5Very high93.7Very high25 Ų2522.5 Ų22.512%0.11712%0.115CC..Hα-helixtrans-64.3-46.2179.3-69.7174.7178.400111.5Q323 I325 V329 V330 F331 M365Q323-E327 HydrophobicContact CG-CG 4.29Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.44Å; Q323-E327 PolarHBondContact NE2-OE1 2.64Å; Q323-E327 WeakPolarHBondContact O-CB 3.4Å; Q323-E327 WeakPolarHBondContact O-CG 3.46Å; Q323-E327 PolarHBondContact O-N 3.24Å; I325-E327 VanDerWaalsContact C-N 3.35Å; I325-E327 PolarHBondContact O-N 2.75Å; E327-V329 VanDerWaalsContact C-N 3.35Å; E327-V329 PolarHBondContact O-N 3.49Å; E327-V330 PolarHBondContact O-N 2.89Å; E327-V330 VanDerWaalsContact O-N 3.15Å; E327-F331 HydrophobicContact CB-CE2 3.92Å; E327-F331 HydrophobicContact CB-CZ 4.13Å; E327-F331 VanDerWaalsContact O-CD2 3.23Å; E327-F331 WeakPolarHBondContact O-CD2 3.26Å; E327-F331 WeakPolarHBondContact O-CG 3.46Å; E327-F331 PolarHBondContact O-N 3.01Å; E327-M365 HydrophobicContact CG-SD 4.29Å
328G93.8Very high93.8Very high4 Ų422.6 Ų22.64%0.04111%0.112CC..Hα-helixtrans-58.9-43.6178.500000112.8F292 P294 A324 I325 F331 S332F292-G328 WeakPolarHBondContact O-CA 3.45Å; P294-G328 WeakPolarHBondContact CG-O 3.38Å; A324-G328 PolarHBondContact O-N 2.78Å; I325-G328 PolarHBondContact O-N 2.84Å; G328-F331 PolarHBondContact O-N 3.5Å; G328-S332 PolarHBondContact O-N 2.86Å
329V94.4Very high93.9Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-63.5-45.7174.51710000110.8M216 S257 P294 I325 E327 F331 S332 H333 W362M216-V329 HydrophobicContact CE-CG1 4.13Å; S257-V329 WeakPolarHBondContact O-CG2 3.41Å; P294-V329 HydrophobicContact CB-CG2 4.03Å; I325-V329 HydrophobicContact CG2-CG2 4.4Å; I325-V329 WeakPolarHBondContact O-CB 3.48Å; I325-V329 VanDerWaalsContact O-CG2 3.32Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.47Å; E327-V329 VanDerWaalsContact C-N 3.35Å; E327-V329 PolarHBondContact O-N 3.49Å; V329-F331 VanDerWaalsContact C-N 3.34Å; V329-F331 PolarHBondContact O-N 3.25Å; V329-S332 WeakPolarHBondContact O-CB 3.48Å; V329-S332 PolarHBondContact O-N 3.47Å; V329-S332 VanDerWaalsContact O-N 3.17Å; V329-H333 PolarHBondContact O-CD2 3.03Å; V329-H333 PolarHBondContact O-N 2.96Å; V329-W362 HydrophobicContact CB-CZ2 3.95Å; V329-W362 HydrophobicContact CG1-CZ2 3.92Å; V329-W362 HydrophobicContact CG2-CZ2 4.31Å
330V94.6Very high93.9Very high1 Ų121.2 Ų21.21%0.00610%0.103CC..Hα-helixtrans-58.1-45.7175.5167.30000111Y326 E327 S332 H333 M334 L366 V369Y326-V330 WeakPolarHBondContact O-CG2 3.31Å; Y326-V330 PolarHBondContact O-N 3.02Å; E327-V330 PolarHBondContact O-N 2.89Å; E327-V330 VanDerWaalsContact O-N 3.15Å; V330-S332 VanDerWaalsContact C-N 3.3Å; V330-S332 PolarHBondContact O-N 3.37Å; V330-H333 WeakPolarHBondContact O-CB 3.44Å; V330-H333 PolarHBondContact O-N 3.15Å; V330-H333 VanDerWaalsContact O-N 3.14Å; V330-M334 HydrophobicContact CG1-CG 4.42Å; V330-M334 WeakPolarHBondContact O-CG 3.45Å; V330-M334 PolarHBondContact O-N 2.88Å; V330-L366 HydrophobicContact CG1-CD1 4.14Å; V330-L366 HydrophobicContact CG2-CB 4.45Å; V330-V369 HydrophobicContact CG1-CB 4.22Å; V330-V369 HydrophobicContact CG1-CG1 4.45Å; V330-V369 HydrophobicContact CG1-CG2 4.31Å
331F92.4Very high93.9Very high92 Ų9223.4 Ų23.440%0.40411%0.11SC..Hα-helixtrans-63.2-35.7177.6-60-30.7000112.6E327 G328 V329 M334 T335 V369E327-F331 HydrophobicContact CB-CE2 3.92Å; E327-F331 HydrophobicContact CB-CZ 4.13Å; E327-F331 VanDerWaalsContact O-CD2 3.23Å; E327-F331 WeakPolarHBondContact O-CD2 3.26Å; E327-F331 WeakPolarHBondContact O-CG 3.46Å; E327-F331 PolarHBondContact O-N 3.01Å; G328-F331 PolarHBondContact O-N 3.5Å; V329-F331 VanDerWaalsContact C-N 3.34Å; V329-F331 PolarHBondContact O-N 3.25Å; F331-M334 WeakPolarHBondContact O-CB 3.13Å; F331-M334 PolarHBondContact O-N 2.78Å; F331-T335 PolarHBondContact O-N 2.83Å; F331-V369 HydrophobicContact CD1-CG1 4.39Å; F331-V369 HydrophobicContact CE1-CG1 4.32Å; F331-V369 HydrophobicContact CE1-CG2 4.26Å
332S92Very high93.9Very high6 Ų627.2 Ų27.24%0.04213%0.127CC..Hα-helixtrans-64.6-39.6173.6-173.10000112.3N300 G328 V329 V330 T335N300-S332 PolarHBondContact ND2-O 3.39Å; N300-S332 VanDerWaalsContact ND2-O 3.08Å; N300-S332 PolarHBondContact ND2-OG 3.38Å; G328-S332 PolarHBondContact O-N 2.86Å; V329-S332 WeakPolarHBondContact O-CB 3.48Å; V329-S332 PolarHBondContact O-N 3.47Å; V329-S332 VanDerWaalsContact O-N 3.17Å; V330-S332 VanDerWaalsContact C-N 3.3Å; V330-S332 PolarHBondContact O-N 3.37Å; S332-T335 WeakPolarHBondContact O-CB 3.44Å; S332-T335 PolarHBondContact O-N 2.93Å
333H93.3Very high93.8Very high5 Ų527.3 Ų27.32%0.02313%0.127CC..Hα-helixtrans-66.1-38.4172.8-85.5-87.8000112.1A220 S257 V329 V330 T335 H336 L337A220-H333 VanDerWaalsContact CA-CE1 3.45Å; A220-H333 WeakPolarHBondContact CA-CE1 3.26Å; A220-H333 WeakPolarHBondContact CB-CE1 3.36Å; A220-H333 WeakPolarHBondContact CB-NE2 3.41Å; S257-H333 PolarHBondContact OG-NE2 2.94Å; V329-H333 PolarHBondContact O-CD2 3.03Å; V329-H333 PolarHBondContact O-N 2.96Å; V330-H333 WeakPolarHBondContact O-CB 3.44Å; V330-H333 PolarHBondContact O-N 3.15Å; V330-H333 VanDerWaalsContact O-N 3.14Å; H333-T335 PolarHBondContact O-N 2.92Å; H333-H336 PolarHBondContact O-N 3.16Å; H333-L337 PolarHBondContact O-N 2.74Å
334M93.8Very high93.7Very high16 Ų1627 Ų278%0.07913%0.125CC..Hα-helixtrans-59.4-29.3176.6-74-60-58.400113.1V330 F331 L337 N338 V369V330-M334 HydrophobicContact CG1-CG 4.42Å; V330-M334 WeakPolarHBondContact O-CG 3.45Å; V330-M334 PolarHBondContact O-N 2.88Å; F331-M334 WeakPolarHBondContact O-CB 3.13Å; F331-M334 PolarHBondContact O-N 2.78Å; M334-L337 HydrophobicContact CE-CD2 4.41Å; M334-L337 PolarHBondContact O-N 2.8Å; M334-L337 HydrophobicContact SD-CD2 3.8Å; M334-N338 WeakPolarHBondContact CE-OD1 3.48Å; M334-N338 WeakPolarHBondContact O-CB 3.33Å; M334-N338 PolarHBondContact O-N 3.34Å; M334-N338 PolarHBondContact O-ND2 3.49Å; M334-N338 VanDerWaalsContact O-ND2 3.13Å; M334-V369 HydrophobicContact CE-CG1 4.24Å; M334-V369 HydrophobicContact CG-CG1 3.65Å; M334-V369 HydrophobicContact SD-CG1 3.98Å
335T91.9Very high93.5Very high49 Ų4931.4 Ų31.430%0.30115%0.153SC..Hα-helixtrans-57.8-48.7171.7-59.60000111.4N300 F331 S332 H333 R339N300-T335 WeakPolarHBondContact ND2-CB 3.29Å; N300-T335 PolarHBondContact ND2-OG1 3.39Å; F331-T335 PolarHBondContact O-N 2.83Å; S332-T335 WeakPolarHBondContact O-CB 3.44Å; S332-T335 PolarHBondContact O-N 2.93Å; H333-T335 PolarHBondContact O-N 2.92Å; T335-R339 WeakPolarHBondContact O-CG 3.48Å; T335-R339 PolarHBondContact O-N 2.78Å
336H91.9Very high93.3Very high2 Ų236.3 Ų36.31%0.00918%0.179CC..Hα-helixtrans-70.5-44.3179.5-59.1-48.7000111.1E252 S254 H333 N338 R339 M340E252-H336 HydrophobicContact CB-CB 3.97Å; E252-H336 IonicContact OE2-ND1 3.99Å; S254-H336 VanDerWaalsContact CB-NE2 3.33Å; S254-H336 WeakPolarHBondContact CB-NE2 3.45Å; S254-H336 PolarHBondContact N-NE2 2.77Å; S254-H336 PolarHBondContact OG-NE2 2.63Å; H333-H336 PolarHBondContact O-N 3.16Å; H336-N338 VanDerWaalsContact C-N 3.35Å; H336-N338 PolarHBondContact O-N 3.34Å; H336-R339 PolarHBondContact O-N 2.98Å; H336-M340 WeakPolarHBondContact O-CB 3.26Å; H336-M340 VanDerWaalsContact O-CG 3.25Å; H336-M340 WeakPolarHBondContact O-CG 3.36Å; H336-M340 PolarHBondContact O-N 3.04Å
337L94.4Very high93.4Very high4 Ų437 Ų372%0.02118%0.183CC..Hα-helixtrans-61.5-42179.3-175.460.4000112.1L212 T222 H333 M334 M340 R341 L350 L372L212-L337 HydrophobicContact CD1-CD1 3.7Å; T222-L337 HydrophobicContact CG2-CD1 4.14Å; H333-L337 PolarHBondContact O-N 2.74Å; M334-L337 HydrophobicContact CE-CD2 4.41Å; M334-L337 PolarHBondContact O-N 2.8Å; M334-L337 HydrophobicContact SD-CD2 3.8Å; L337-M340 PolarHBondContact O-N 3.14Å; L337-R341 WeakPolarHBondContact O-CB 3.39Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.27Å; L337-R341 PolarHBondContact O-N 3.37Å; L337-L350 HydrophobicContact CD1-CD1 4.02Å; L337-L350 HydrophobicContact CD2-CD2 4.04Å; L337-L372 HydrophobicContact CD1-CD1 4.08Å; L337-L372 HydrophobicContact CD2-CD1 4.04Å; L337-L372 HydrophobicContact CG-CD1 4.49Å
338N94.7Very high93.3Very high75 Ų7541 Ų4140%0.40120%0.201SC..Hα-helixtrans-65.3-41.9178.4-73.2-24.1000111.8M334 H336 R341 E342M334-N338 WeakPolarHBondContact CE-OD1 3.48Å; M334-N338 WeakPolarHBondContact O-CB 3.33Å; M334-N338 PolarHBondContact O-N 3.34Å; M334-N338 PolarHBondContact O-ND2 3.49Å; M334-N338 VanDerWaalsContact O-ND2 3.13Å; H336-N338 VanDerWaalsContact C-N 3.35Å; H336-N338 PolarHBondContact O-N 3.34Å; N338-R341 WeakPolarHBondContact O-CB 3.45Å; N338-R341 PolarHBondContact O-N 2.95Å; N338-E342 PolarHBondContact O-N 3.07Å
339R93.7Very high93.4Very high73 Ų7341.1 Ų41.128%0.27520%0.201SC..Hα-helixtrans-61.1-49.3172.4-68.4-178.5179.3172.91.6110.8Y237 E252 T335 H336 R341 E342Y237-R339 HydrophobicContact CE1-CB 4.15Å; Y237-R339 PolarHBondContact OH-O 3.49Å; E252-R339 HydrophobicContact CG-CB 4.48Å; E252-R339 WeakPolarHBondContact OE2-CD 3.35Å; E252-R339 IonicContact OE2-CZ 3.97Å; E252-R339 IonicContact OE2-NH1 3.82Å; E252-R339 PolarHBondContact OE2-NH1 2.85Å; T335-R339 WeakPolarHBondContact O-CG 3.48Å; T335-R339 PolarHBondContact O-N 2.78Å; H336-R339 PolarHBondContact O-N 2.98Å; R339-R341 PolarHBondContact O-N 2.95Å; R339-E342 VanDerWaalsContact O-CB 3.31Å; R339-E342 WeakPolarHBondContact O-CB 3.49Å; R339-E342 PolarHBondContact O-N 3.38Å
340M94.5Very high93.4Very high0 Ų041.2 Ų41.20%020%0.202CC..Hα-helixtrans-57.9-33.4177.5-70.5-66.5-71.700112L212 T222 Y237 V250 E252 H336 L337 E342 R343 F344L212-M340 HydrophobicContact CD1-CB 3.9Å; L212-M340 HydrophobicContact CD2-CE 3.95Å; T222-M340 HydrophobicContact CG2-CB 4.11Å; T222-M340 HydrophobicContact CG2-CG 3.78Å; Y237-M340 HydrophobicContact CD1-SD 4.19Å; Y237-M340 HydrophobicContact CE1-SD 4.32Å; V250-M340 HydrophobicContact CB-CE 4.43Å; V250-M340 HydrophobicContact CG1-CE 4.47Å; V250-M340 HydrophobicContact CG1-SD 4.4Å; V250-M340 VanDerWaalsContact O-CE 3.3Å; V250-M340 WeakPolarHBondContact O-CE 3.41Å; E252-M340 HydrophobicContact CB-CG 4.32Å; E252-M340 HydrophobicContact CB-SD 4.44Å; E252-M340 HydrophobicContact CG-CG 4.46Å; E252-M340 HydrophobicContact CG-SD 4.33Å; H336-M340 WeakPolarHBondContact O-CB 3.26Å; H336-M340 VanDerWaalsContact O-CG 3.25Å; H336-M340 WeakPolarHBondContact O-CG 3.36Å; H336-M340 PolarHBondContact O-N 3.04Å; L337-M340 PolarHBondContact O-N 3.14Å; M340-E342 VanDerWaalsContact C-N 3.33Å; M340-E342 PolarHBondContact O-N 3.17Å; M340-R343 CarbonylContact O-C 3.54Å; M340-R343 WeakPolarHBondContact O-CB 3.25Å; M340-R343 PolarHBondContact O-N 3.08Å; M340-R343 VanDerWaalsContact O-N 3.09Å; M340-F344 HydrophobicContact CE-CD2 3.79Å; M340-F344 HydrophobicContact CE-CE2 3.41Å; M340-F344 VanDerWaalsContact CE-CE2 3.41Å; M340-F344 HydrophobicContact CE-CZ 4.4Å; M340-F344 WeakPolarHBondContact O-CD2 3.49Å; M340-F344 PolarHBondContact O-N 3.23Å; M340-F344 HydrophobicContact SD-CE2 4.4Å
341R93.8Very high93.3Very high98 Ų9842.8 Ų42.837%0.3721%0.208SC..Hα-helixtrans-69.1-24174.1-75175.372.3166.59.1114.5L337 N338 R339 R343 F344 V347 S370L337-R341 WeakPolarHBondContact O-CB 3.39Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.27Å; L337-R341 PolarHBondContact O-N 3.37Å; N338-R341 WeakPolarHBondContact O-CB 3.45Å; N338-R341 PolarHBondContact O-N 2.95Å; R339-R341 PolarHBondContact O-N 2.95Å; R341-R343 PolarHBondContact O-N 3.04Å; R341-F344 CarbonylContact O-C 3.53Å; R341-V347 HydrophobicContact CG-CG1 3.66Å; R341-S370 PolarHBondContact NH1-O 2.73Å
342E93.4Very high93.2Very high111 Ų11138.5 Ų38.552%0.51919%0.189SC..Hα-helixtrans-67.3-27.8170.2-61.8179.5-165.200111.1H235 N338 R339 M340H235-E342 IonicContact CD2-OE2 3.72Å; H235-E342 IonicContact NE2-OE1 2.8Å; H235-E342 IonicContact NE2-OE2 3.9Å; H235-E342 PolarHBondContact NE2-OE2 3.01Å; N338-E342 PolarHBondContact O-N 3.07Å; R339-E342 VanDerWaalsContact O-CB 3.31Å; R339-E342 WeakPolarHBondContact O-CB 3.49Å; R339-E342 PolarHBondContact O-N 3.38Å; M340-E342 VanDerWaalsContact C-N 3.33Å; M340-E342 PolarHBondContact O-N 3.17Å
343R92.2Very high92.9Very high4 Ų438.9 Ų38.92%0.01519%0.191CC..Hα-helixtrans-89.9-47.1176177.151.3176.581.2-2.5113.3E209 T226 G228 R230 E233 Y237 Y239 M340 R341E209-R343 IonicContact OE2-NH1 2.7Å; T226-R343 PolarHBondContact OG1-NH2 3.26Å; G228-R343 PolarHBondContact O-NH2 2.96Å; G228-R343 VanDerWaalsContact O-NH2 3.16Å; R230-R343 VanDerWaalsContact NE-CZ 3.35Å; R230-R343 PolarHBondContact NH1-O 2.97Å; E233-R343 WeakPolarHBondContact OE1-CD 3.26Å; E233-R343 IonicContact OE1-NE 3.71Å; E233-R343 PolarHBondContact OE1-NE 3.41Å; Y237-R343 HydrophobicContact CE2-CB 4.04Å; Y239-R343 PolarHBondContact OH-NE 3.29Å; M340-R343 CarbonylContact O-C 3.54Å; M340-R343 WeakPolarHBondContact O-CB 3.25Å; M340-R343 PolarHBondContact O-N 3.08Å; M340-R343 VanDerWaalsContact O-N 3.09Å; R341-R343 PolarHBondContact O-N 3.04Å
344F93.6Very high92.4Very high0 Ų040.2 Ų40.20%021%0.206CC..SBendtrans-10276.8-178.3-64.6-88.2000108.9E209 L212 I225 V250 M340 R341 D346 V347E209-F344 HydrophobicContact CB-CD1 4.02Å; E209-F344 HydrophobicContact CB-CE1 4.46Å; E209-F344 HydrophobicContact CG-CD1 4.12Å; E209-F344 HydrophobicContact CG-CE1 4.1Å; L212-F344 HydrophobicContact CD1-CB 4.5Å; L212-F344 HydrophobicContact CD2-CB 4.14Å; L212-F344 HydrophobicContact CD2-CD1 4.25Å; L212-F344 HydrophobicContact CD2-CD2 3.72Å; L212-F344 HydrophobicContact CD2-CE2 4.17Å; L212-F344 HydrophobicContact CD2-CG 3.77Å; I225-F344 WeakPolarHBondContact O-CE1 3.45Å; V250-F344 HydrophobicContact CB-CE2 3.99Å; V250-F344 HydrophobicContact CB-CZ 4Å; V250-F344 HydrophobicContact CG1-CE2 4.38Å; V250-F344 HydrophobicContact CG2-CE2 4.45Å; V250-F344 HydrophobicContact CG2-CZ 4.09Å; M340-F344 HydrophobicContact CE-CD2 3.79Å; M340-F344 HydrophobicContact CE-CE2 3.41Å; M340-F344 VanDerWaalsContact CE-CE2 3.41Å; M340-F344 HydrophobicContact CE-CZ 4.4Å; M340-F344 WeakPolarHBondContact O-CD2 3.49Å; M340-F344 PolarHBondContact O-N 3.23Å; M340-F344 HydrophobicContact SD-CE2 4.4Å; R341-F344 CarbonylContact O-C 3.53Å; F344-D346 VanDerWaalsContact C-N 3.3Å; F344-D346 PolarHBondContact O-N 2.89Å; F344-V347 HydrophobicContact CB-CB 4.48Å; F344-V347 VanDerWaalsContact O-CG1 3.27Å; F344-V347 WeakPolarHBondContact O-CG1 3.48Å; F344-V347 PolarHBondContact O-N 3.18Å
345T91.3Very high91.7Very high95 Ų9541.5 Ų41.558%0.58322%0.224SC*.THydrogen-bonded Turntrans-70.1-25.5-168.450.90000114
346D91.3Very high91.5Very high103 Ų10339.3 Ų39.355%0.55121%0.21SC*.THydrogen-bonded Turntrans-98.111.3-175.9-58.1-36.3000112.6F210 F344 H348F210-D346 HydrophobicContact CD1-CB 3.66Å; F210-D346 HydrophobicContact CE1-CB 3.76Å; F344-D346 VanDerWaalsContact C-N 3.3Å; F344-D346 PolarHBondContact O-N 2.89Å; D346-H348 PolarHBondContact O-N 3.36Å
347V94.9Very high91.2Very high13 Ų1339.9 Ų39.98%0.07922%0.215CC..  trans-63.5129.6179.868.60000111.4F210 L212 R341 F344 T349 L372F210-V347 WeakPolarHBondContact O-CA 3.43Å; F210-V347 WeakPolarHBondContact O-CG2 3.36Å; L212-V347 HydrophobicContact CB-CG2 4.13Å; L212-V347 HydrophobicContact CD1-CB 4.33Å; L212-V347 HydrophobicContact CD1-CG1 4.21Å; L212-V347 HydrophobicContact CD1-CG2 3.93Å; L212-V347 HydrophobicContact CG-CB 4.33Å; L212-V347 HydrophobicContact CG-CG2 3.67Å; R341-V347 HydrophobicContact CG-CG1 3.66Å; F344-V347 HydrophobicContact CB-CB 4.48Å; F344-V347 VanDerWaalsContact O-CG1 3.27Å; F344-V347 WeakPolarHBondContact O-CG1 3.48Å; F344-V347 PolarHBondContact O-N 3.18Å; V347-T349 WeakPolarHBondContact CG2-O 3.37Å; V347-L372 HydrophobicContact CG1-CD2 4.49Å; V347-L372 HydrophobicContact CG2-CD1 4.35Å
348H94.1Very high90.7Very high110 Ų11045.9 Ų45.951%0.50924%0.243SC..  trans-128.9-10.5173.558.562.3000113.2F210 D346 R373F210-H348 PolarHBondContact O-N 2.99Å; D346-H348 PolarHBondContact O-N 3.36Å; H348-R373 PolarHBondContact O-N 2.8Å
349T95.1Very high90.5Very high7 Ų742.3 Ų42.34%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-123.7135.7-179.6-58.40000110.7F210 T211 L212 V347 R373 E375F210-T349 PolarHBondContact O-N 2.79Å; T211-T349 WeakPolarHBondContact CA-O 3.31Å; T211-T349 HydrophobicContact CG2-CG2 4.11Å; L212-T349 PolarHBondContact N-O 3Å; V347-T349 WeakPolarHBondContact CG2-O 3.37Å; T349-R373 WeakPolarHBondContact CA-O 3.08Å; T349-E375 HydrophobicContact CG2-CB 4.31Å; T349-E375 HydrophobicContact CG2-CG 3.88Å
350L94.6Very high90.4Very high2 Ų245.1 Ų45.11%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-119.5114.1171-174.966.6000109.1L212 A214 L337 V352 L366 L372 R373 I374 E375L212-L350 HydrophobicContact CB-CD1 3.81Å; L212-L350 CarbonylContact O-C 3.51Å; L212-L350 WeakPolarHBondContact O-CA 3.18Å; A214-L350 HydrophobicContact CB-CD1 3.87Å; A214-L350 HydrophobicContact CB-CD2 4.21Å; A214-L350 HydrophobicContact CB-CG 4.19Å; L337-L350 HydrophobicContact CD1-CD1 4.02Å; L337-L350 HydrophobicContact CD2-CD2 4.04Å; L350-V352 HydrophobicContact CD2-CG2 4.15Å; L350-V352 HydrophobicContact CG-CG2 4.01Å; L350-L366 HydrophobicContact CD2-CD1 4.45Å; L350-L366 HydrophobicContact CD2-CD2 3.98Å; L350-L366 HydrophobicContact CD2-CG 4.24Å; L350-L372 HydrophobicContact CB-CB 4.16Å; L350-L372 HydrophobicContact CB-CD1 3.91Å; L350-R373 PolarHBondContact N-O 3.3Å; L350-I374 HydrophobicContact CB-CD1 3.86Å; L350-I374 HydrophobicContact CD2-CD1 3.89Å; L350-I374 HydrophobicContact CG-CD1 4.28Å; L350-I374 WeakPolarHBondContact O-CA 3.44Å; L350-E375 PolarHBondContact O-N 3.41Å
351R92.4Very high90.3Very high34 Ų3446.9 Ų46.913%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-85.5130.1170.9-77.4-179.7-173.6150.212.2109.9A204 G205 T211 L212 N213 A214 E375 P377A204-R351 WeakPolarHBondContact O-CD 3.44Å; A204-R351 PolarHBondContact O-NH1 3.39Å; G205-R351 PolarHBondContact O-NH1 2.84Å; T211-R351 HydrophobicContact CG2-CG 4.13Å; L212-R351 PolarHBondContact O-N 3.37Å; N213-R351 CarbonylContact C-O 3.42Å; N213-R351 VanDerWaalsContact CA-O 3.26Å; N213-R351 WeakPolarHBondContact CA-O 3.43Å; N213-R351 PolarHBondContact OD1-O 2.93Å; A214-R351 PolarHBondContact N-O 3.47Å; R351-E375 CarbonylContact C-O 3.25Å; R351-E375 VanDerWaalsContact CA-O 3.25Å; R351-E375 WeakPolarHBondContact CA-O 3.48Å; R351-E375 HydrophobicContact CG-CB 3.7Å; R351-E375 IonicContact CZ-OE2 3.97Å; R351-E375 IonicContact NE-OE2 3.72Å; R351-E375 PolarHBondContact NE-OE2 3.44Å; R351-E375 IonicContact NH2-OE2 3.24Å; R351-E375 PolarHBondContact NH2-OE2 3.13Å; R351-P377 HydrophobicContact CB-CG 4.31Å
352V91Very high90.3Very high1 Ų142.2 Ų42.21%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-119.4130.9-174-173.60000110A214 M216 L350 M363 L366 I374 E375 L376 P377A214-V352 HydrophobicContact CB-CG2 4.44Å; A214-V352 WeakPolarHBondContact O-CA 3.47Å; M216-V352 HydrophobicContact CG-CG1 3.91Å; M216-V352 HydrophobicContact SD-CG1 3.75Å; L350-V352 HydrophobicContact CD2-CG2 4.15Å; L350-V352 HydrophobicContact CG-CG2 4.01Å; V352-M363 HydrophobicContact CB-SD 3.99Å; V352-M363 HydrophobicContact CG1-CE 4.22Å; V352-M363 HydrophobicContact CG1-SD 3.7Å; V352-M363 HydrophobicContact CG2-SD 4.33Å; V352-L366 HydrophobicContact CG2-CD2 3.81Å; V352-I374 HydrophobicContact CB-CG2 4.39Å; V352-I374 HydrophobicContact CG2-CD1 4.41Å; V352-I374 HydrophobicContact CG2-CG2 3.8Å; V352-E375 PolarHBondContact N-O 2.95Å; V352-L376 HydrophobicContact CB-CD2 4.07Å; V352-P377 VanDerWaalsContact O-CD 3.23Å; V352-P377 WeakPolarHBondContact O-CD 3.36Å
353T85.6Confident90.4Very high14 Ų1437.4 Ų37.49%0.08622%0.215CC..EExtended strand (participates in β ladder)trans-128.5161.6175.855.50000110.7A214 M216 P377A214-T353 PolarHBondContact O-N 3.47Å; M216-T353 PolarHBondContact N-O 3.36Å; T353-P377 HydrophobicContact CG2-CB 4.39Å; T353-P377 HydrophobicContact CG2-CG 3.8Å
354G81.1Confident90.5Very high34 Ų3441.9 Ų41.935%0.35124%0.236SC..SBendtrans104.4168.9-17700000113.3P356 A357G354-P356 VanDerWaalsContact C-CD 3.44Å; G354-P356 VanDerWaalsContact O-N 3.17Å; G354-A357 WeakPolarHBondContact O-CB 3.31Å; G354-A357 PolarHBondContact O-N 3.02Å
355G81.1Confident90.6Very high43 Ų4343.3 Ų43.344%0.44324%0.243SC..G310 helixtrans-49.9-41.5-17200000116.2A357 H358G355-A357 PolarHBondContact O-N 3.45Å; G355-H358 PolarHBondContact O-CD2 3.21Å; G355-H358 VanDerWaalsContact O-CD2 3.28Å; G355-H358 PolarHBondContact O-N 2.92Å
356P85.8Confident90.8Very high2 Ų239 Ų391%0.01322%0.216CC..G310 helixtrans-59.5-22.8174.9-29.240.1000115.4M216 S258 G354 H358 S359 W362 M363M216-P356 HydrophobicContact CB-CB 4.12Å; M216-P356 HydrophobicContact CB-CG 3.84Å; M216-P356 HydrophobicContact CE-CB 4.04Å; M216-P356 HydrophobicContact CE-CG 4.33Å; M216-P356 WeakPolarHBondContact O-CD 3.39Å; M216-P356 HydrophobicContact SD-CB 4.18Å; S258-P356 VanDerWaalsContact CB-CG 3.49Å; G354-P356 VanDerWaalsContact C-CD 3.44Å; G354-P356 VanDerWaalsContact O-N 3.17Å; P356-H358 PolarHBondContact O-N 3.11Å; P356-H358 VanDerWaalsContact O-N 3.1Å; P356-S359 WeakPolarHBondContact O-CB 3.43Å; P356-S359 PolarHBondContact O-N 3.01Å; P356-W362 HydrophobicContact CB-CD2 4.03Å; P356-W362 HydrophobicContact CB-CE3 3.61Å; P356-W362 HydrophobicContact CB-CH2 4.47Å; P356-W362 HydrophobicContact CB-CZ3 3.84Å; P356-W362 HydrophobicContact CG-CE3 4.09Å; P356-W362 HydrophobicContact CG-CH2 4.12Å; P356-W362 HydrophobicContact CG-CZ3 3.77Å; P356-M363 HydrophobicContact CB-CE 4.14Å; P356-M363 WeakPolarHBondContact O-CE 3.41Å
357A87.1Confident91Very high14 Ų1435 Ų3512%0.11620%0.197CC..G310 helixtrans-59.6-20.1177.900000112.8G354 G355 S359 L376G354-A357 WeakPolarHBondContact O-CB 3.31Å; G354-A357 PolarHBondContact O-N 3.02Å; G355-A357 PolarHBondContact O-N 3.45Å; A357-S359 VanDerWaalsContact C-N 3.27Å; A357-S359 PolarHBondContact O-N 3.07Å; A357-L376 HydrophobicContact CB-CD2 4.1Å; A357-L376 WeakPolarHBondContact O-CD1 3.45Å
358H83.4Confident91Very high131 Ų13139 Ų3961%0.60622%0.219SC*.G310 helixtrans-80.81174.6-58.1-72.9000114.1F273 G355 P356F273-H358 HydrophobicContact CE1-CB 4.28Å; G355-H358 PolarHBondContact O-CD2 3.21Å; G355-H358 VanDerWaalsContact O-CD2 3.28Å; G355-H358 PolarHBondContact O-N 2.92Å; P356-H358 PolarHBondContact O-N 3.11Å; P356-H358 VanDerWaalsContact O-N 3.1Å
359S90.6Very high91Very high0 Ų037 Ų370%021%0.214CC..  trans-109.2103.9177.4177.60000111.2N277 P356 A357 V361 W362 M363N277-S359 VanDerWaalsContact CG-OG 3.28Å; N277-S359 WeakPolarHBondContact OD1-CB 3.48Å; N277-S359 PolarHBondContact OD1-OG 3.44Å; P356-S359 WeakPolarHBondContact O-CB 3.43Å; P356-S359 PolarHBondContact O-N 3.01Å; A357-S359 VanDerWaalsContact C-N 3.27Å; A357-S359 PolarHBondContact O-N 3.07Å; S359-V361 PolarHBondContact O-N 3.25Å; S359-W362 PolarHBondContact O-N 2.87Å; S359-W362 VanDerWaalsContact O-N 3.1Å; S359-W362 WeakPolarHBondContact OG-CB 3.19Å; S359-W362 PolarHBondContact OG-N 3.43Å; S359-W362 VanDerWaalsContact OG-N 3.15Å; S359-M363 WeakPolarHBondContact O-CB 3.38Å; S359-M363 VanDerWaalsContact O-CG 3.31Å; S359-M363 WeakPolarHBondContact O-CG 3.46Å; S359-M363 PolarHBondContact O-N 3.01Å
360D91.3Very high91Very high131 Ų13136.8 Ų36.870%0.70121%0.213SC*.Hα-helixtrans-55.8-36.1174-69.8-19.6000112Q364D360-Q364 WeakPolarHBondContact O-CB 3.39Å; D360-Q364 PolarHBondContact O-N 3.25Å
361V92.3Very high91Very high37 Ų3739.9 Ų39.922%0.22425%0.245CC..Hα-helixtrans-64.4-46.5178.6-178.10000110.5N277 V280 A281 S359 Q364 M365N277-V361 HydrophobicContact CB-CG2 4.47Å; V280-V361 HydrophobicContact CG1-CG1 3.95Å; A281-V361 HydrophobicContact CB-CG1 4.46Å; A281-V361 HydrophobicContact CB-CG2 3.87Å; S359-V361 PolarHBondContact O-N 3.25Å; V361-Q364 PolarHBondContact O-N 3.47Å; V361-M365 HydrophobicContact CG1-CE 4.17Å; V361-M365 WeakPolarHBondContact O-CG 3.1Å; V361-M365 PolarHBondContact O-N 3.41Å
362W93.7Very high91.2Very high1 Ų138.9 Ų38.90%0.00424%0.242CC..Hα-helixtrans-71.1-38.9-178.9-148.2-12.4000111.6L261 F273 Y326 V329 P356 S359 M365 L366L261-W362 HydrophobicContact CB-CH2 4.26Å; L261-W362 HydrophobicContact CD2-CH2 3.82Å; L261-W362 HydrophobicContact CD2-CZ3 3.65Å; F273-W362 HydrophobicContact CE2-CE3 4.27Å; F273-W362 HydrophobicContact CE2-CZ3 4.06Å; F273-W362 HydrophobicContact CZ-CE3 4.15Å; F273-W362 HydrophobicContact CZ-CZ3 4.3Å; Y326-W362 HydrophobicContact CD1-CD2 4.13Å; Y326-W362 AromaticContact CD1-CE2 3.96Å; Y326-W362 HydrophobicContact CD1-CE3 4.25Å; Y326-W362 HydrophobicContact CD1-CH2 4.12Å; Y326-W362 AromaticContact CD1-CZ2 3.96Å; Y326-W362 HydrophobicContact CD1-CZ2 3.96Å; Y326-W362 HydrophobicContact CD1-CZ3 4.27Å; Y326-W362 HydrophobicContact CD2-CB 3.88Å; Y326-W362 AromaticContact CD2-CD1 3.84Å; Y326-W362 AromaticContact CD2-CD2 3.65Å; Y326-W362 HydrophobicContact CD2-CD2 3.65Å; Y326-W362 HydrophobicContact CD2-CE3 4.14Å; Y326-W362 AromaticContact CD2-CG 3.54Å; Y326-W362 HydrophobicContact CD2-CG 3.54Å; Y326-W362 HydrophobicContact CE1-CD2 4.2Å; Y326-W362 AromaticContact CE1-CE3 3.89Å; Y326-W362 HydrophobicContact CE1-CE3 3.89Å; Y326-W362 HydrophobicContact CE1-CH2 4.09Å; Y326-W362 HydrophobicContact CE1-CZ2 4.36Å; Y326-W362 AromaticContact CE1-CZ3 3.84Å; Y326-W362 HydrophobicContact CE1-CZ3 3.84Å; Y326-W362 HydrophobicContact CE2-CB 3.85Å; Y326-W362 AromaticContact CE2-CD2 3.74Å; Y326-W362 HydrophobicContact CE2-CD2 3.74Å; Y326-W362 AromaticContact CE2-CE3 3.77Å; Y326-W362 HydrophobicContact CE2-CE3 3.77Å; Y326-W362 AromaticContact CE2-CG 3.81Å; Y326-W362 HydrophobicContact CE2-CG 3.81Å; Y326-W362 AromaticContact CG-CD2 3.84Å; Y326-W362 HydrophobicContact CG-CD2 3.84Å; Y326-W362 AromaticContact CG-CE2 3.73Å; Y326-W362 HydrophobicContact CG-CE3 4.36Å; Y326-W362 HydrophobicContact CG-CG 4.07Å; Y326-W362 HydrophobicContact CG-CZ2 4.18Å; Y326-W362 AromaticContact CG-NE1 3.85Å; Y326-W362 AromaticContact CZ-CD2 4Å; Y326-W362 AromaticContact CZ-CE3 3.61Å; Y326-W362 AromaticContact CZ-CZ3 3.98Å; Y326-W362 PolarHBondContact O-NE1 3.36Å; V329-W362 HydrophobicContact CB-CZ2 3.95Å; V329-W362 HydrophobicContact CG1-CZ2 3.92Å; V329-W362 HydrophobicContact CG2-CZ2 4.31Å; P356-W362 HydrophobicContact CB-CD2 4.03Å; P356-W362 HydrophobicContact CB-CE3 3.61Å; P356-W362 HydrophobicContact CB-CH2 4.47Å; P356-W362 HydrophobicContact CB-CZ3 3.84Å; P356-W362 HydrophobicContact CG-CE3 4.09Å; P356-W362 HydrophobicContact CG-CH2 4.12Å; P356-W362 HydrophobicContact CG-CZ3 3.77Å; S359-W362 PolarHBondContact O-N 2.87Å; S359-W362 VanDerWaalsContact O-N 3.1Å; S359-W362 WeakPolarHBondContact OG-CB 3.19Å; S359-W362 PolarHBondContact OG-N 3.43Å; S359-W362 VanDerWaalsContact OG-N 3.15Å; W362-M365 WeakPolarHBondContact O-CB 3.45Å; W362-M365 PolarHBondContact O-N 3.08Å; W362-L366 PolarHBondContact O-N 2.92Å
363M95.7Very high91.4Very high10 Ų1046.8 Ų46.85%0.04927%0.272CS..Hα-helixtrans-66.1-38.7174.7-66.3-54.693.400111.9M216 V352 P356 S359 L366 A367 I374 L376M216-M363 HydrophobicContact SD-CE 3.75Å; V352-M363 HydrophobicContact CB-SD 3.99Å; V352-M363 HydrophobicContact CG1-CE 4.22Å; V352-M363 HydrophobicContact CG1-SD 3.7Å; V352-M363 HydrophobicContact CG2-SD 4.33Å; P356-M363 HydrophobicContact CB-CE 4.14Å; P356-M363 WeakPolarHBondContact O-CE 3.41Å; S359-M363 WeakPolarHBondContact O-CB 3.38Å; S359-M363 VanDerWaalsContact O-CG 3.31Å; S359-M363 WeakPolarHBondContact O-CG 3.46Å; S359-M363 PolarHBondContact O-N 3.01Å; M363-L366 PolarHBondContact O-N 3.44Å; M363-A367 WeakPolarHBondContact O-CB 3.26Å; M363-A367 PolarHBondContact O-N 3.08Å; M363-I374 HydrophobicContact CB-CG2 4.48Å; M363-I374 HydrophobicContact SD-CG2 4.28Å; M363-L376 HydrophobicContact CG-CD1 4.44Å; M363-L376 HydrophobicContact CG-CD2 4.07Å; M363-L376 HydrophobicContact SD-CD2 3.9Å
364Q95.1Very high91.8Very high97 Ų9747.9 Ų47.945%0.45328%0.277SS..Hα-helixtrans-65.1-40.2174.2-171.463.758.400111.5D360 V361 L366 A367 D368D360-Q364 WeakPolarHBondContact O-CB 3.39Å; D360-Q364 PolarHBondContact O-N 3.25Å; V361-Q364 PolarHBondContact O-N 3.47Å; Q364-L366 VanDerWaalsContact C-N 3.34Å; Q364-L366 PolarHBondContact O-N 3.13Å; Q364-A367 WeakPolarHBondContact O-CB 3.35Å; Q364-A367 PolarHBondContact O-N 2.9Å; Q364-D368 PolarHBondContact NE2-OD1 2.78Å; Q364-D368 WeakPolarHBondContact O-CB 2.96Å; Q364-D368 PolarHBondContact O-N 2.88Å
365M94.5Very high92.3Very high31 Ų3148.5 Ų48.515%0.15327%0.271CS..Hα-helixtrans-59.5-44.7172.9-71.5176.6177.700111.6V280 Q323 Y326 E327 V361 W362 D368 V369V280-M365 HydrophobicContact CG1-CE 3.45Å; V280-M365 VanDerWaalsContact CG1-CE 3.45Å; Q323-M365 HydrophobicContact CG-CE 4.45Å; Y326-M365 HydrophobicContact CD2-SD 4.35Å; E327-M365 HydrophobicContact CG-SD 4.29Å; V361-M365 HydrophobicContact CG1-CE 4.17Å; V361-M365 WeakPolarHBondContact O-CG 3.1Å; V361-M365 PolarHBondContact O-N 3.41Å; W362-M365 WeakPolarHBondContact O-CB 3.45Å; W362-M365 PolarHBondContact O-N 3.08Å; M365-D368 PolarHBondContact O-N 2.95Å; M365-V369 WeakPolarHBondContact O-CB 3.49Å; M365-V369 VanDerWaalsContact O-CG2 3.29Å; M365-V369 WeakPolarHBondContact O-CG2 3.22Å; M365-V369 PolarHBondContact O-N 3.01Å
366L95.4Very high92.5Very high3 Ų349.6 Ų49.62%0.01627%0.266CS..Hα-helixtrans-63.9-41176.6-178.360.5000111.7M216 V330 L350 V352 W362 M363 Q364 S370 I374M216-L366 HydrophobicContact SD-CD2 3.97Å; V330-L366 HydrophobicContact CG1-CD1 4.14Å; V330-L366 HydrophobicContact CG2-CB 4.45Å; L350-L366 HydrophobicContact CD2-CD1 4.45Å; L350-L366 HydrophobicContact CD2-CD2 3.98Å; L350-L366 HydrophobicContact CD2-CG 4.24Å; V352-L366 HydrophobicContact CG2-CD2 3.81Å; W362-L366 PolarHBondContact O-N 2.92Å; M363-L366 PolarHBondContact O-N 3.44Å; Q364-L366 VanDerWaalsContact C-N 3.34Å; Q364-L366 PolarHBondContact O-N 3.13Å; L366-S370 WeakPolarHBondContact O-CB 3.25Å; L366-S370 PolarHBondContact O-N 2.67Å; L366-S370 PolarHBondContact O-OG 3Å; L366-I374 HydrophobicContact CD2-CD1 4.31Å; L366-I374 HydrophobicContact CG-CD1 4.12Å
367A96.4Very high92Very high19 Ų1951.2 Ų51.216%0.15728%0.277CS..Hα-helixtrans-60-49174.600000111.4M363 Q364 V369 S370 G371 I374M363-A367 WeakPolarHBondContact O-CB 3.26Å; M363-A367 PolarHBondContact O-N 3.08Å; Q364-A367 WeakPolarHBondContact O-CB 3.35Å; Q364-A367 PolarHBondContact O-N 2.9Å; A367-V369 PolarHBondContact O-N 3.24Å; A367-S370 PolarHBondContact O-OG 3.47Å; A367-G371 WeakPolarHBondContact O-CA 3.22Å; A367-G371 PolarHBondContact O-N 3.01Å; A367-I374 HydrophobicContact CB-CD1 4.48Å; A367-I374 HydrophobicContact CB-CG1 3.56Å
368D95.1Very high91.1Very high98 Ų9858.1 Ų58.152%0.52431%0.306SS..Hα-helixtrans-62.3-44.1-177.9-69.7-13.4000111.4Q364 M365Q364-D368 PolarHBondContact NE2-OD1 2.78Å; Q364-D368 WeakPolarHBondContact O-CB 2.96Å; Q364-D368 PolarHBondContact O-N 2.88Å; M365-D368 PolarHBondContact O-N 2.95Å
369V94.3Very high90.4Very high67 Ų6753.3 Ų53.341%0.40629%0.286SS..Hα-helixtrans-78.3-36-177.4179.20000112.2V330 F331 M334 M365 A367V330-V369 HydrophobicContact CG1-CB 4.22Å; V330-V369 HydrophobicContact CG1-CG1 4.45Å; V330-V369 HydrophobicContact CG1-CG2 4.31Å; F331-V369 HydrophobicContact CD1-CG1 4.39Å; F331-V369 HydrophobicContact CE1-CG1 4.32Å; F331-V369 HydrophobicContact CE1-CG2 4.26Å; M334-V369 HydrophobicContact CE-CG1 4.24Å; M334-V369 HydrophobicContact CG-CG1 3.65Å; M334-V369 HydrophobicContact SD-CG1 3.98Å; M365-V369 WeakPolarHBondContact O-CB 3.49Å; M365-V369 VanDerWaalsContact O-CG2 3.29Å; M365-V369 WeakPolarHBondContact O-CG2 3.22Å; M365-V369 PolarHBondContact O-N 3.01Å; A367-V369 PolarHBondContact O-N 3.24Å
370S95Very high89.3Confident4 Ų460.9 Ų60.93%0.02832%0.322CS..Hα-helixtrans-79-29.5179.665.80000113.4R341 L366 A367 L372R341-S370 PolarHBondContact NH1-O 2.73Å; L366-S370 WeakPolarHBondContact O-CB 3.25Å; L366-S370 PolarHBondContact O-N 2.67Å; L366-S370 PolarHBondContact O-OG 3Å; A367-S370 PolarHBondContact O-OG 3.47Å; S370-L372 PolarHBondContact O-N 3.49Å; S370-L372 PolarHBondContact OG-N 2.86Å; S370-L372 VanDerWaalsContact OG-N 3.17Å
371G94.9Very high88.8Confident67 Ų6761 Ų6169%0.69132%0.318SS*.  trans68.415-168.700000113.6A367A367-G371 WeakPolarHBondContact O-CA 3.22Å; A367-G371 PolarHBondContact O-N 3.01Å
372L95.6Very high88.4Confident12 Ų1260.2 Ų60.26%0.06331%0.313CS..SBendtrans-100.7151.4-179.1-62.4-176.3000111.3L337 V347 L350 S370 I374L337-L372 HydrophobicContact CD1-CD1 4.08Å; L337-L372 HydrophobicContact CD2-CD1 4.04Å; L337-L372 HydrophobicContact CG-CD1 4.49Å; V347-L372 HydrophobicContact CG1-CD2 4.49Å; V347-L372 HydrophobicContact CG2-CD1 4.35Å; L350-L372 HydrophobicContact CB-CB 4.16Å; L350-L372 HydrophobicContact CB-CD1 3.91Å; S370-L372 PolarHBondContact O-N 3.49Å; S370-L372 PolarHBondContact OG-N 2.86Å; S370-L372 VanDerWaalsContact OG-N 3.17Å; L372-I374 PolarHBondContact O-N 3.1Å
373R95Very high88.1Confident168 Ų16861.2 Ų61.263%0.63432%0.324SS*.EExtended strand (participates in β ladder)trans-69118.6167.6178.8-179174.2176.5-3.5108.8H348 T349 L350 E375H348-R373 PolarHBondContact O-N 2.8Å; T349-R373 WeakPolarHBondContact CA-O 3.08Å; L350-R373 PolarHBondContact N-O 3.3Å; R373-E375 IonicContact CZ-OE1 3.3Å; R373-E375 IonicContact NE-OE1 3.34Å; R373-E375 PolarHBondContact NE-OE1 3.11Å; R373-E375 IonicContact NH2-OE1 2.8Å
374I94.5Very high87.8Confident37 Ų3764.8 Ų64.819%0.1935%0.349CS..EExtended strand (participates in β ladder)trans-84.2130.1174.3-53.5-53.7000109.7L350 V352 M363 L366 A367 L372 L376L350-I374 HydrophobicContact CB-CD1 3.86Å; L350-I374 HydrophobicContact CD2-CD1 3.89Å; L350-I374 HydrophobicContact CG-CD1 4.28Å; L350-I374 WeakPolarHBondContact O-CA 3.44Å; V352-I374 HydrophobicContact CB-CG2 4.39Å; V352-I374 HydrophobicContact CG2-CD1 4.41Å; V352-I374 HydrophobicContact CG2-CG2 3.8Å; M363-I374 HydrophobicContact CB-CG2 4.48Å; M363-I374 HydrophobicContact SD-CG2 4.28Å; L366-I374 HydrophobicContact CD2-CD1 4.31Å; L366-I374 HydrophobicContact CG-CD1 4.12Å; A367-I374 HydrophobicContact CB-CD1 4.48Å; A367-I374 HydrophobicContact CB-CG1 3.56Å; L372-I374 PolarHBondContact O-N 3.1Å; I374-L376 HydrophobicContact CG2-CD2 3.96Å
375E91.9Very high87.6Confident47 Ų4763 Ų6322%0.2234%0.34CS..EExtended strand (participates in β ladder)trans-122.1136.5173.1-75.6-176.8177.900109.6T349 L350 R351 V352 R373T349-E375 HydrophobicContact CG2-CB 4.31Å; T349-E375 HydrophobicContact CG2-CG 3.88Å; L350-E375 PolarHBondContact O-N 3.41Å; R351-E375 CarbonylContact C-O 3.25Å; R351-E375 VanDerWaalsContact CA-O 3.25Å; R351-E375 WeakPolarHBondContact CA-O 3.48Å; R351-E375 HydrophobicContact CG-CB 3.7Å; R351-E375 IonicContact CZ-OE2 3.97Å; R351-E375 IonicContact NE-OE2 3.72Å; R351-E375 PolarHBondContact NE-OE2 3.44Å; R351-E375 IonicContact NH2-OE2 3.24Å; R351-E375 PolarHBondContact NH2-OE2 3.13Å; V352-E375 PolarHBondContact N-O 2.95Å; R373-E375 IonicContact CZ-OE1 3.3Å; R373-E375 IonicContact NE-OE1 3.34Å; R373-E375 PolarHBondContact NE-OE1 3.11Å; R373-E375 IonicContact NH2-OE1 2.8Å
376L85.8Confident87.5Confident66 Ų6661.5 Ų61.535%0.34633%0.333SS..  trans-110.7106.9-178.9-55-178.7000109.2V352 A357 M363 I374V352-L376 HydrophobicContact CB-CD2 4.07Å; A357-L376 HydrophobicContact CB-CD2 4.1Å; A357-L376 WeakPolarHBondContact O-CD1 3.45Å; M363-L376 HydrophobicContact CG-CD1 4.44Å; M363-L376 HydrophobicContact CG-CD2 4.07Å; M363-L376 HydrophobicContact SD-CD2 3.9Å; I374-L376 HydrophobicContact CG2-CD2 3.96Å
377P73.7Confident87.5Confident35 Ų3561.5 Ų61.523%0.22733%0.333CS..  trans-61.5135.9176-20.333.1000110.9A204 R351 V352 T353 V379A204-P377 HydrophobicContact CB-CG 4.36Å; R351-P377 HydrophobicContact CB-CG 4.31Å; V352-P377 VanDerWaalsContact O-CD 3.23Å; V352-P377 WeakPolarHBondContact O-CD 3.36Å; T353-P377 HydrophobicContact CG2-CB 4.39Å; T353-P377 HydrophobicContact CG2-CG 3.8Å; P377-V379 PolarHBondContact O-N 3.25Å; P377-V379 VanDerWaalsContact O-N 3.13Å
378Q68.3Low87.4Confident159 Ų15962.6 Ų62.674%0.74334%0.342SS*.SBendtrans-83.328.1179.2-63.5-67.8-51.600112.7P410Q378-P410 HydrophobicContact CB-CG 3.94Å
379V69.7Low87.3Confident31 Ų3158.1 Ų58.119%0.18832%0.318CS..  trans-116.9106.3-178.2-177.30000108.3C203 P377 T382 F385C203-V379 HydrophobicContact CB-CG1 4.31Å; P377-V379 PolarHBondContact O-N 3.25Å; P377-V379 VanDerWaalsContact O-N 3.13Å; V379-T382 HydrophobicContact CG1-CG2 4.21Å; V379-T382 WeakPolarHBondContact O-CG2 3.31Å; V379-F385 HydrophobicContact CG1-CB 4.07Å; V379-F385 HydrophobicContact CG1-CD1 3.71Å; V379-F385 HydrophobicContact CG1-CG 4.11Å; V379-F385 HydrophobicContact CG2-CD1 4.33Å; V379-F385 HydrophobicContact CG2-CE1 4.37Å
380E67.9Low87.4Confident159 Ų15954.9 Ų54.974%0.74330%0.299SS*.SBendtrans-76-46.5179-64.1-175.9163.100111.3T382E380-T382 PolarHBondContact O-N 3.44Å; E380-T382 VanDerWaalsContact O-N 3.15Å
381E79.4Confident87.5Confident132 Ų13255 Ų5562%0.61730%0.3SS*.  trans-94.158.2-172-61.2-68.1178.100112.5G383 C384 F385E381-G383 VanDerWaalsContact C-N 3.25Å; E381-G383 PolarHBondContact O-N 3.35Å; E381-C384 WeakPolarHBondContact CB-SG 3.47Å; E381-C384 PolarHBondContact O-N 2.7Å; E381-C384 PolarHBondContact O-SG 2.9Å; E381-F385 VanDerWaalsContact O-CB 3.26Å; E381-F385 WeakPolarHBondContact O-CB 3.41Å; E381-F385 PolarHBondContact O-N 3.48Å
382T84.6Confident87.6Confident21 Ų2156.8 Ų56.813%0.12929%0.286CS..Hα-helixtrans-57.6-35.2-171.961.40000113.6S199 T200 C203 V379 E380 G386S199-T382 PolarHBondContact OG-O 2.97Å; T200-T382 HydrophobicContact CG2-CG2 4.42Å; T200-T382 PolarHBondContact OG1-OG1 3.17Å; T200-T382 VanDerWaalsContact OG1-OG1 3.12Å; C203-T382 HydrophobicContact CB-CG2 3.87Å; C203-T382 PolarHBondContact SG-O 2.89Å; V379-T382 HydrophobicContact CG1-CG2 4.21Å; V379-T382 WeakPolarHBondContact O-CG2 3.31Å; E380-T382 PolarHBondContact O-N 3.44Å; E380-T382 VanDerWaalsContact O-N 3.15Å; T382-G386 PolarHBondContact O-N 2.96Å
383G87.1Confident87.6Confident23 Ų2357.2 Ų57.224%0.23729%0.288CS..Hα-helixtrans-62.7-56.8179.400000112.6S32 S199 E381 A387S32-G383 WeakPolarHBondContact CB-O 3.41Å; S199-G383 PolarHBondContact OG-O 3.23Å; S199-G383 VanDerWaalsContact OG-O 3.04Å; E381-G383 VanDerWaalsContact C-N 3.25Å; E381-G383 PolarHBondContact O-N 3.35Å; G383-A387 WeakPolarHBondContact O-CB 3.43Å; G383-A387 PolarHBondContact O-N 3.38Å
384C89.1Confident87.6Confident84 Ų8450.1 Ų50.157%0.56827%0.268SS*.Hα-helixtrans-73.1-32.3-178.673.60000111.8E381 A387 A388E381-C384 WeakPolarHBondContact CB-SG 3.47Å; E381-C384 PolarHBondContact O-N 2.7Å; E381-C384 PolarHBondContact O-SG 2.9Å; C384-A387 PolarHBondContact O-N 3.33Å; C384-A388 WeakPolarHBondContact O-CB 3.47Å; C384-A388 PolarHBondContact O-N 3.24Å
385F90.7Very high87.7Confident59 Ų5950.2 Ų50.226%0.25927%0.27SS..Hα-helixtrans-65.5-46.9176.7-170.5-124.1000111.8C203 V379 E381 A387 A388 L389C203-F385 HydrophobicContact CB-CD1 4.41Å; V379-F385 HydrophobicContact CG1-CB 4.07Å; V379-F385 HydrophobicContact CG1-CD1 3.71Å; V379-F385 HydrophobicContact CG1-CG 4.11Å; V379-F385 HydrophobicContact CG2-CD1 4.33Å; V379-F385 HydrophobicContact CG2-CE1 4.37Å; E381-F385 VanDerWaalsContact O-CB 3.26Å; E381-F385 WeakPolarHBondContact O-CB 3.41Å; E381-F385 PolarHBondContact O-N 3.48Å; F385-A387 VanDerWaalsContact C-N 3.31Å; F385-A387 PolarHBondContact O-N 2.77Å; F385-A388 WeakPolarHBondContact O-CB 3.42Å; F385-A388 PolarHBondContact O-N 2.6Å; F385-A388 VanDerWaalsContact O-N 3.11Å; F385-L389 HydrophobicContact CD1-CD1 4.18Å; F385-L389 HydrophobicContact CE1-CD1 3.94Å; F385-L389 HydrophobicContact CE1-CD2 4.44Å; F385-L389 HydrophobicContact CE1-CG 4.33Å; F385-L389 HydrophobicContact CE2-CD2 4.43Å; F385-L389 HydrophobicContact CZ-CD1 4.41Å; F385-L389 HydrophobicContact CZ-CD2 4.09Å; F385-L389 HydrophobicContact CZ-CG 4.36Å; F385-L389 WeakPolarHBondContact O-CG 3.4Å; F385-L389 PolarHBondContact O-N 3.08Å
386G92.6Very high87.7Confident0 Ų050.9 Ų50.90%029%0.29CS..Hα-helixtrans-64.5-37.117700000112.1L194 S199 C203 T382 A388 L389 A390L194-G386 VanDerWaalsContact CD1-O 3.24Å; L194-G386 WeakPolarHBondContact CD1-O 3.49Å; S199-G386 VanDerWaalsContact OG-CA 3.28Å; S199-G386 WeakPolarHBondContact OG-CA 3.41Å; C203-G386 VanDerWaalsContact SG-CA 3.57Å; C203-G386 PolarHBondContact SG-N 3.43Å; T382-G386 PolarHBondContact O-N 2.96Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.31Å; G386-L389 WeakPolarHBondContact O-CB 3.38Å; G386-L389 PolarHBondContact O-N 3.06Å; G386-A390 PolarHBondContact O-N 3.16Å
387A95.6Very high88Confident4 Ų451.4 Ų51.43%0.03330%0.295CS..Hα-helixtrans-60.8-40.5172.300000112.4G30 G383 C384 F385 A390 A391G30-A387 WeakPolarHBondContact CA-O 3.48Å; G383-A387 WeakPolarHBondContact O-CB 3.43Å; G383-A387 PolarHBondContact O-N 3.38Å; C384-A387 PolarHBondContact O-N 3.33Å; F385-A387 VanDerWaalsContact C-N 3.31Å; F385-A387 PolarHBondContact O-N 2.77Å; A387-A390 PolarHBondContact O-N 3.44Å; A387-A391 PolarHBondContact O-N 2.92Å
388A94.4Very high88.8Confident42 Ų4251.2 Ų51.235%0.34729%0.291SS..Hα-helixtrans-67.6-36.7174.800000112.3C384 F385 G386 A391 R392C384-A388 WeakPolarHBondContact O-CB 3.47Å; C384-A388 PolarHBondContact O-N 3.24Å; F385-A388 WeakPolarHBondContact O-CB 3.42Å; F385-A388 PolarHBondContact O-N 2.6Å; F385-A388 VanDerWaalsContact O-N 3.11Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.31Å; A388-A391 PolarHBondContact O-N 3.31Å; A388-R392 WeakPolarHBondContact O-CG 3.19Å; A388-R392 PolarHBondContact O-N 3.42Å
389L94Very high89.7Confident3 Ų353.1 Ų53.12%0.01629%0.291CS..Hα-helixtrans-62.5-44.7172.9-66.7176.7000111.2L202 F385 G386 A391 R392 V393 Y398 A404 S408L202-L389 HydrophobicContact CD2-CB 4.16Å; L202-L389 HydrophobicContact CD2-CD1 4.09Å; L202-L389 HydrophobicContact CG-CD1 4.18Å; F385-L389 HydrophobicContact CD1-CD1 4.18Å; F385-L389 HydrophobicContact CE1-CD1 3.94Å; F385-L389 HydrophobicContact CE1-CD2 4.44Å; F385-L389 HydrophobicContact CE1-CG 4.33Å; F385-L389 HydrophobicContact CE2-CD2 4.43Å; F385-L389 HydrophobicContact CZ-CD1 4.41Å; F385-L389 HydrophobicContact CZ-CD2 4.09Å; F385-L389 HydrophobicContact CZ-CG 4.36Å; F385-L389 WeakPolarHBondContact O-CG 3.4Å; F385-L389 PolarHBondContact O-N 3.08Å; G386-L389 WeakPolarHBondContact O-CB 3.38Å; G386-L389 PolarHBondContact O-N 3.06Å; L389-A391 VanDerWaalsContact C-N 3.31Å; L389-A391 PolarHBondContact O-N 3.28Å; L389-R392 PolarHBondContact O-N 3.35Å; L389-V393 WeakPolarHBondContact O-CG2 3.34Å; L389-V393 PolarHBondContact O-N 2.88Å; L389-Y398 HydrophobicContact CD2-CE2 4.43Å; L389-A404 HydrophobicContact CD2-CB 4.07Å; L389-S408 WeakPolarHBondContact CD2-OG 3.17Å
390A96.3Very high90.6Very high0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-59.5-42175.600000111.9V191 L194 G386 A387 V393 G394 F401V191-A390 HydrophobicContact CG2-CB 4.16Å; L194-A390 HydrophobicContact CD1-CB 4.25Å; L194-A390 HydrophobicContact CG-CB 4.27Å; G386-A390 PolarHBondContact O-N 3.16Å; A387-A390 PolarHBondContact O-N 3.44Å; A390-V393 PolarHBondContact O-N 2.72Å; A390-G394 PolarHBondContact O-N 3.07Å; A390-F401 HydrophobicContact CB-CE1 3.96Å; A390-F401 HydrophobicContact CB-CZ 3.89Å
391A97.3Very high91.7Very high5 Ų546.2 Ų46.24%0.04126%0.258CS..Hα-helixtrans-62.4-46174.500000112.2V191 A387 A388 L389 V393 G394 T395V191-A391 HydrophobicContact CG2-CB 4.41Å; A387-A391 PolarHBondContact O-N 2.92Å; A388-A391 PolarHBondContact O-N 3.31Å; L389-A391 VanDerWaalsContact C-N 3.31Å; L389-A391 PolarHBondContact O-N 3.28Å; A391-V393 VanDerWaalsContact C-N 3.34Å; A391-V393 PolarHBondContact O-N 3.49Å; A391-G394 PolarHBondContact O-N 2.81Å; A391-T395 WeakPolarHBondContact O-CG2 3.42Å; A391-T395 PolarHBondContact O-N 2.72Å; A391-T395 PolarHBondContact O-OG1 3.45Å; A391-T395 VanDerWaalsContact O-OG1 3.05Å
392R95.1Very high91.9Very high106 Ų10642.7 Ų42.740%0.425%0.247SC..Hα-helixtrans-62.5-38.3179.1-75.8-177.2-177.9-171.52.4112.8A388 L389 G396 V397 Y398A388-R392 WeakPolarHBondContact O-CG 3.19Å; A388-R392 PolarHBondContact O-N 3.42Å; L389-R392 PolarHBondContact O-N 3.35Å; R392-G396 PolarHBondContact O-N 3.1Å; R392-V397 HydrophobicContact CB-CB 4.03Å; R392-V397 HydrophobicContact CB-CG1 4.35Å; R392-V397 HydrophobicContact CG-CB 4.3Å; R392-V397 HydrophobicContact CG-CG1 4.29Å; R392-V397 WeakPolarHBondContact O-CA 3.45Å; R392-V397 WeakPolarHBondContact O-CB 3.24Å; R392-V397 PolarHBondContact O-N 2.75Å; R392-Y398 HydrophobicContact CB-CD2 3.7Å; R392-Y398 HydrophobicContact CB-CE2 4.02Å; R392-Y398 VanDerWaalsContact CD-CE2 3.45Å; R392-Y398 HydrophobicContact CG-CE2 4.38Å; R392-Y398 PolarHBondContact NH1-OH 3.04Å; R392-Y398 VanDerWaalsContact NH1-OH 3.11Å; R392-Y398 PolarHBondContact O-N 2.95Å
393V96Very high91.9Very high20 Ų2043.9 Ų43.912%0.12125%0.252CS..Hα-helixtrans-67.4-48173.4176.60000110P168 L389 A390 A391 T395 G396 F401 A404P168-V393 HydrophobicContact CB-CB 4.02Å; P168-V393 HydrophobicContact CB-CG1 3.72Å; P168-V393 HydrophobicContact CG-CG1 4.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.34Å; L389-V393 PolarHBondContact O-N 2.88Å; A390-V393 PolarHBondContact O-N 2.72Å; A391-V393 VanDerWaalsContact C-N 3.34Å; A391-V393 PolarHBondContact O-N 3.49Å; V393-T395 VanDerWaalsContact C-N 3.28Å; V393-T395 PolarHBondContact O-N 2.94Å; V393-G396 PolarHBondContact O-N 2.7Å; V393-F401 HydrophobicContact CG1-CD2 4.48Å; V393-F401 HydrophobicContact CG1-CE2 4.39Å; V393-F401 HydrophobicContact CG2-CD1 4Å; V393-F401 HydrophobicContact CG2-CD2 4.49Å; V393-F401 HydrophobicContact CG2-CE1 4.21Å; V393-F401 HydrophobicContact CG2-CG 4.16Å; V393-A404 HydrophobicContact CG2-CB 4.07Å
394G95.9Very high91.7Very high20 Ų2042.8 Ų42.821%0.20624%0.24CC..Hα-helixtrans-63.8-28.2-178.500000115.1P168 A390 A391P168-G394 WeakPolarHBondContact O-CA 3.37Å; A390-G394 PolarHBondContact O-N 3.07Å; A391-G394 PolarHBondContact O-N 2.81Å
395T96.1Very high91.3Very high39 Ų3939.2 Ų39.224%0.23922%0.216CC..THydrogen-bonded Turntrans-94.76.9175.164.50000113.5V27 P189 A391 V393 V397V27-T395 WeakPolarHBondContact O-CG2 3.42Å; P189-T395 HydrophobicContact CB-CG2 4.22Å; P189-T395 HydrophobicContact CG-CG2 4.32Å; A391-T395 WeakPolarHBondContact O-CG2 3.42Å; A391-T395 PolarHBondContact O-N 2.72Å; A391-T395 PolarHBondContact O-OG1 3.45Å; A391-T395 VanDerWaalsContact O-OG1 3.05Å; V393-T395 VanDerWaalsContact C-N 3.28Å; V393-T395 PolarHBondContact O-N 2.94Å; T395-V397 VanDerWaalsContact C-N 3.32Å; T395-V397 PolarHBondContact O-N 3.01Å
396G92.7Very high90.5Very high61 Ų6144.1 Ų44.163%0.62923%0.232SC*.THydrogen-bonded Turntrans74.912.8175.300000115.9R392 V393 Y398R392-G396 PolarHBondContact O-N 3.1Å; V393-G396 PolarHBondContact O-N 2.7Å; G396-Y398 VanDerWaalsContact C-N 3.3Å
397V91.1Very high89.3Confident76 Ų7649 Ų4946%0.46126%0.257SS..SBendtrans-66-37.8171.7174.80000110.2V27 R392 T395V27-V397 HydrophobicContact CG2-CG2 4.44Å; R392-V397 HydrophobicContact CB-CB 4.03Å; R392-V397 HydrophobicContact CB-CG1 4.35Å; R392-V397 HydrophobicContact CG-CB 4.3Å; R392-V397 HydrophobicContact CG-CG1 4.29Å; R392-V397 WeakPolarHBondContact O-CA 3.45Å; R392-V397 WeakPolarHBondContact O-CB 3.24Å; R392-V397 PolarHBondContact O-N 2.75Å; T395-V397 VanDerWaalsContact C-N 3.32Å; T395-V397 PolarHBondContact O-N 3.01Å
398Y90.4Very high87.7Confident32 Ų3250 Ų5013%0.12526%0.264CS..SBendtrans-118147.8165.9-60.7-53.8000109.5L389 R392 G396 E403 A404 L407L389-Y398 HydrophobicContact CD2-CE2 4.43Å; R392-Y398 HydrophobicContact CB-CD2 3.7Å; R392-Y398 HydrophobicContact CB-CE2 4.02Å; R392-Y398 VanDerWaalsContact CD-CE2 3.45Å; R392-Y398 HydrophobicContact CG-CE2 4.38Å; R392-Y398 PolarHBondContact NH1-OH 3.04Å; R392-Y398 VanDerWaalsContact NH1-OH 3.11Å; R392-Y398 PolarHBondContact O-N 2.95Å; G396-Y398 VanDerWaalsContact C-N 3.3Å; Y398-E403 HydrophobicContact CD1-CG 4.24Å; Y398-A404 HydrophobicContact CD2-CB 3.33Å; Y398-A404 HydrophobicContact CE2-CB 3.96Å; Y398-A404 HydrophobicContact CG-CB 3.78Å; Y398-L407 HydrophobicContact CD1-CD1 4.13Å; Y398-L407 HydrophobicContact CE1-CB 4.28Å; Y398-L407 HydrophobicContact CE1-CD1 3.79Å
399R87.1Confident85.8Confident199 Ų19954 Ų5475%0.75127%0.27SS*.SBendtrans-68.8-39.3179.3-172.3-174.768.1-166.2-3.2112.2E403R399-E403 VanDerWaalsContact CB-OE2 3.26Å; R399-E403 WeakPolarHBondContact CB-OE2 3.32Å; R399-E403 PolarHBondContact N-OE2 2.92Å
400D89.3Confident83.1Confident41 Ų4157.5 Ų57.522%0.21929%0.294CS..SBendtrans-155.5168.5-174.654.255.5000110.6S402 E403 A404D400-S402 VanDerWaalsContact C-N 3.27Å; D400-S402 PolarHBondContact O-N 3.48Å; D400-S402 WeakPolarHBondContact OD1-CB 3.35Å; D400-S402 PolarHBondContact OD1-N 3.49Å; D400-E403 PolarHBondContact O-N 3.02Å; D400-E403 WeakPolarHBondContact OD1-CB 3.26Å; D400-E403 PolarHBondContact OD1-N 2.9Å; D400-A404 PolarHBondContact O-N 2.91Å; D400-A404 VanDerWaalsContact O-N 3.12Å
401F90.4Very high80Confident4 Ų466.1 Ų66.12%0.01833%0.333CS..Hα-helixtrans-65.7-29179.7-74.8-78.9000113P168 L202 V243 A390 V393 A404 Q405P168-F401 HydrophobicContact CB-CE2 4.03Å; P168-F401 HydrophobicContact CB-CZ 4.11Å; P168-F401 HydrophobicContact CG-CE2 3.81Å; P168-F401 HydrophobicContact CG-CZ 4.33Å; L202-F401 HydrophobicContact CD1-CB 4.11Å; L202-F401 HydrophobicContact CD1-CD1 3.78Å; L202-F401 HydrophobicContact CD1-CG 4.25Å; L202-F401 HydrophobicContact CD2-CD1 3.74Å; L202-F401 HydrophobicContact CD2-CE1 3.79Å; L202-F401 HydrophobicContact CG-CD1 4.44Å; V243-F401 HydrophobicContact CB-CD1 4.44Å; V243-F401 HydrophobicContact CB-CD2 3.7Å; V243-F401 HydrophobicContact CB-CE1 4.39Å; V243-F401 HydrophobicContact CB-CE2 3.67Å; V243-F401 HydrophobicContact CB-CG 4.1Å; V243-F401 HydrophobicContact CB-CZ 4.03Å; V243-F401 HydrophobicContact CG1-CZ 4.39Å; V243-F401 HydrophobicContact CG2-CB 4.02Å; V243-F401 HydrophobicContact CG2-CD1 4.24Å; V243-F401 HydrophobicContact CG2-CD2 3.74Å; V243-F401 HydrophobicContact CG2-CE2 4.24Å; V243-F401 HydrophobicContact CG2-CG 3.75Å; A390-F401 HydrophobicContact CB-CE1 3.96Å; A390-F401 HydrophobicContact CB-CZ 3.89Å; V393-F401 HydrophobicContact CG1-CD2 4.48Å; V393-F401 HydrophobicContact CG1-CE2 4.39Å; V393-F401 HydrophobicContact CG2-CD1 4Å; V393-F401 HydrophobicContact CG2-CD2 4.49Å; V393-F401 HydrophobicContact CG2-CE1 4.21Å; V393-F401 HydrophobicContact CG2-CG 4.16Å; F401-A404 WeakPolarHBondContact O-CB 3.32Å; F401-A404 PolarHBondContact O-N 2.84Å; F401-Q405 WeakPolarHBondContact O-CB 2.99Å; F401-Q405 WeakPolarHBondContact O-CG 3.28Å; F401-Q405 PolarHBondContact O-N 3.24Å; F401-Q405 PolarHBondContact O-OE1 3.01Å
402S84.8Confident76.7Confident57 Ų5775.5 Ų75.540%0.39938%0.376SS..Hα-helixtrans-65-43.9177.4-54.40000111.6D400 R406D400-S402 VanDerWaalsContact C-N 3.27Å; D400-S402 PolarHBondContact O-N 3.48Å; D400-S402 WeakPolarHBondContact OD1-CB 3.35Å; D400-S402 PolarHBondContact OD1-N 3.49Å; S402-R406 WeakPolarHBondContact O-CB 3.34Å; S402-R406 PolarHBondContact O-N 3.06Å; S402-R406 VanDerWaalsContact O-N 3.14Å
403E83.3Confident73.5Confident46 Ų4672.7 Ų72.722%0.21538%0.381CS..Hα-helixtrans-62.5-45.3172.3179.8171.8-126.100111.3Y398 R399 D400 Q405 R406 L407Y398-E403 HydrophobicContact CD1-CG 4.24Å; R399-E403 VanDerWaalsContact CB-OE2 3.26Å; R399-E403 WeakPolarHBondContact CB-OE2 3.32Å; R399-E403 PolarHBondContact N-OE2 2.92Å; D400-E403 PolarHBondContact O-N 3.02Å; D400-E403 WeakPolarHBondContact OD1-CB 3.26Å; D400-E403 PolarHBondContact OD1-N 2.9Å; E403-Q405 PolarHBondContact O-N 3.19Å; E403-R406 PolarHBondContact O-N 3.19Å; E403-L407 HydrophobicContact CG-CD1 3.78Å; E403-L407 HydrophobicContact CG-CG 4.44Å; E403-L407 PolarHBondContact O-N 3.35Å
404A83.9Confident70.4Confident0 Ų074.8 Ų74.80%040%0.4CS..Hα-helixtrans-58.7-46.5179.900000111.8L389 V393 Y398 D400 F401 S408L389-A404 HydrophobicContact CD2-CB 4.07Å; V393-A404 HydrophobicContact CG2-CB 4.07Å; Y398-A404 HydrophobicContact CD2-CB 3.33Å; Y398-A404 HydrophobicContact CE2-CB 3.96Å; Y398-A404 HydrophobicContact CG-CB 3.78Å; D400-A404 PolarHBondContact O-N 2.91Å; D400-A404 VanDerWaalsContact O-N 3.12Å; F401-A404 WeakPolarHBondContact O-CB 3.32Å; F401-A404 PolarHBondContact O-N 2.84Å; A404-S408 WeakPolarHBondContact O-CB 3.47Å; A404-S408 PolarHBondContact O-N 3.26Å; A404-S408 VanDerWaalsContact O-N 3.11Å; A404-S408 PolarHBondContact O-OG 2.75Å
405Q80.6Confident67.4Low10 Ų1080.6 Ų80.65%0.04742%0.421CS..Hα-helixtrans-63.4-46.4177.5-74.9171.9-55.100112L202 F401 E403 L407 S408 R409L202-Q405 HydrophobicContact CD1-CG 3.74Å; L202-Q405 PolarHBondContact O-NE2 3.47Å; F401-Q405 WeakPolarHBondContact O-CB 2.99Å; F401-Q405 WeakPolarHBondContact O-CG 3.28Å; F401-Q405 PolarHBondContact O-N 3.24Å; F401-Q405 PolarHBondContact O-OE1 3.01Å; E403-Q405 PolarHBondContact O-N 3.19Å; Q405-L407 PolarHBondContact O-N 3.21Å; Q405-S408 PolarHBondContact O-N 3.46Å; Q405-R409 WeakPolarHBondContact O-CG 3.42Å; Q405-R409 PolarHBondContact O-N 2.96Å
406R73.7Confident64.7Low162 Ų16285.1 Ų85.161%0.61144%0.443SS*.Hα-helixtrans-63-42.4-177.7-176.5-175.459.1163.3-1.9112.7S402 E403 S408S402-R406 WeakPolarHBondContact O-CB 3.34Å; S402-R406 PolarHBondContact O-N 3.06Å; S402-R406 VanDerWaalsContact O-N 3.14Å; E403-R406 PolarHBondContact O-N 3.19Å; R406-S408 VanDerWaalsContact C-N 3.34Å
407L66.6Low62.8Low101 Ų10186.2 Ų86.253%0.52943%0.433SS..Hα-helixtrans-80.2-17.3-179.3-67175.7000113.2Y398 E403 Q405Y398-L407 HydrophobicContact CD1-CD1 4.13Å; Y398-L407 HydrophobicContact CE1-CB 4.28Å; Y398-L407 HydrophobicContact CE1-CD1 3.79Å; E403-L407 HydrophobicContact CG-CD1 3.78Å; E403-L407 HydrophobicContact CG-CG 4.44Å; E403-L407 PolarHBondContact O-N 3.35Å; Q405-L407 PolarHBondContact O-N 3.21Å
408S63.4Low61.5Low25 Ų2585.4 Ų85.418%0.17543%0.43CS..Hα-helixtrans-90.1-9.1-179.7-69.30000114.5L389 A404 Q405 R406 P410L389-S408 WeakPolarHBondContact CD2-OG 3.17Å; A404-S408 WeakPolarHBondContact O-CB 3.47Å; A404-S408 PolarHBondContact O-N 3.26Å; A404-S408 VanDerWaalsContact O-N 3.11Å; A404-S408 PolarHBondContact O-OG 2.75Å; Q405-S408 PolarHBondContact O-N 3.46Å; R406-S408 VanDerWaalsContact C-N 3.34Å; S408-P410 VanDerWaalsContact O-CD 3.26Å; S408-P410 WeakPolarHBondContact O-CD 3.43Å; S408-P410 VanDerWaalsContact O-N 3.12Å
409R53.2Low61.2Low126 Ų12687.6 Ų87.648%0.47544%0.438SS..SBendtrans-62.6116.7176.7-69.9-176.5-172-162.35.8107.9E207 Q405 H411E207-R409 IonicContact OE1-CZ 3.16Å; E207-R409 IonicContact OE1-NH2 2.98Å; E207-R409 PolarHBondContact OE1-NH2 2.84Å; E207-R409 IonicContact OE2-NH2 3.33Å; Q405-R409 WeakPolarHBondContact O-CG 3.42Å; Q405-R409 PolarHBondContact O-N 2.96Å; R409-H411 PolarHBondContact O-N 3.42Å
410P38.2Very low61.4Low78 Ų7878.1 Ų78.151%0.50640%0.402SS..PPolyproline II helixtrans-54.912417419.4-27000106.5Q378 S408 Q412Q378-P410 HydrophobicContact CB-CG 3.94Å; S408-P410 VanDerWaalsContact O-CD 3.26Å; S408-P410 WeakPolarHBondContact O-CD 3.43Å; S408-P410 VanDerWaalsContact O-N 3.12Å; P410-Q412 PolarHBondContact O-N 3.12Å
411H30.9Very low61.7Low180 Ų18078.1 Ų78.183%0.83340%0.402SS*.PPolyproline II helixtrans-47.5132.3167.2-71.22.7000105.9R409 G413R409-H411 PolarHBondContact O-N 3.42Å; H411-G413 PolarHBondContact O-N 3.35Å
412Q28.6Very low61.9Low202 Ų20277.9 Ų77.994%0.94440%0.401SS*.  trans-64.766.6169.5-73.1-179-800107.7P410 A414P410-Q412 PolarHBondContact O-N 3.12Å; Q412-A414 VanDerWaalsContact C-N 3.28Å; Q412-A414 PolarHBondContact O-N 3.41Å
413G28.1Very low62.5Low48 Ų4875.2 Ų75.250%0.49538%0.382SS..  trans-70.797.6165.300000104.1H411 H415H411-G413 PolarHBondContact O-N 3.35Å; G413-H415 PolarHBondContact O-N 3.05Å
414A29.4Very low63Low63 Ų6373 Ų7352%0.52137%0.372SS..  trans-48.8105.8146.300000104.8Q412 I416Q412-A414 VanDerWaalsContact C-N 3.28Å; Q412-A414 PolarHBondContact O-N 3.41Å; A414-I416 PolarHBondContact O-N 2.95Å
415H34.7Very low63.4Low142 Ų14273.5 Ų73.566%0.65738%0.376SS*.  trans-54.6108.1-179.7-78.1-83.8000106.5G413 M417G413-H415 PolarHBondContact O-N 3.05Å; H415-M417 PolarHBondContact O-N 3.49Å
416I37.7Very low63.9Low135 Ų13573 Ų7369%0.69237%0.374SS*.  trans-57.9107.2179.1-64.9169.6000105.7A414 S418 L636A414-I416 PolarHBondContact O-N 2.95Å; I416-S418 PolarHBondContact O-N 2.87Å; I416-L636 HydrophobicContact CD1-CD2 4.27Å
417M53.8Low64.5Low84 Ų8468.4 Ų68.441%0.41436%0.361SS..PPolyproline II helixtrans-64.2119.5177.4-72.4-165.4-80.400107.6H415 K597H415-M417 PolarHBondContact O-N 3.49Å; M417-K597 VanDerWaalsContact CE-O 3.24Å; M417-K597 WeakPolarHBondContact CE-O 3.49Å
418S64.3Low65.4Low58 Ų5866 Ų6641%0.40635%0.347SS..PPolyproline II helixtrans-66.4147.6-179.759.60000110I416 P420I416-S418 PolarHBondContact O-N 2.87Å; S418-P420 VanDerWaalsContact O-CD 3.27Å; S418-P420 WeakPolarHBondContact O-CD 3.49Å
419R83.1Confident66.6Low78 Ų7868.7 Ų68.729%0.29437%0.366SS..PPolyproline II helixtrans-62.5122.3177.4-179.2-170.4178.8-97.911.9109.4D446 H624 I627 D628R419-D446 IonicContact NH1-OD2 3.85Å; R419-H624 PolarHBondContact NH2-ND1 3.17Å; R419-I627 HydrophobicContact CG-CG2 3.58Å; R419-D628 IonicContact CZ-OD1 3.91Å; R419-D628 VanDerWaalsContact CZ-OD1 3.28Å; R419-D628 IonicContact NE-OD1 2.78Å; R419-D628 PolarHBondContact NE-OD1 3.17Å; R419-D628 IonicContact NH2-OD1 3.6Å; R419-D628 PolarHBondContact NH2-OD1 2.86Å; R419-D628 IonicContact NH2-OD2 3.61Å
420P91.7Very high68.4Low0 Ų064.6 Ų64.60%036%0.357CS..PPolyproline II helixtrans-59.5143.4175.7-2635.3000112.5S418 V601 K602 F604 W631S418-P420 VanDerWaalsContact O-CD 3.27Å; S418-P420 WeakPolarHBondContact O-CD 3.49Å; P420-V601 HydrophobicContact CB-CB 4.29Å; P420-V601 HydrophobicContact CB-CG1 3.95Å; P420-V601 HydrophobicContact CG-CB 3.85Å; P420-V601 HydrophobicContact CG-CG1 4.05Å; P420-K602 WeakPolarHBondContact CA-O 3.35Å; P420-F604 HydrophobicContact CB-CD2 3.87Å; P420-F604 HydrophobicContact CB-CE2 3.68Å; P420-F604 HydrophobicContact CG-CE2 3.98Å; P420-W631 HydrophobicContact CG-CD2 3.59Å; P420-W631 HydrophobicContact CG-CE3 3.83Å; P420-W631 HydrophobicContact CG-CG 3.92Å; P420-W631 HydrophobicContact CG-CZ2 4.3Å; P420-W631 HydrophobicContact CG-CZ3 4.33Å
421L94.7Very high71Confident41 Ų4162.4 Ų62.422%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-89.3155.2176-60.9178.9000111.5D446 I447 I474 W499 K602 A603 F604L421-D446 WeakPolarHBondContact CA-OD2 3.38Å; L421-D446 HydrophobicContact CB-CB 3.91Å; L421-D446 HydrophobicContact CD2-CB 3.95Å; L421-D446 HydrophobicContact CG-CB 4.36Å; L421-I447 HydrophobicContact CB-CD1 3.56Å; L421-I447 HydrophobicContact CB-CG1 4.27Å; L421-I447 HydrophobicContact CD1-CD1 3.83Å; L421-I447 HydrophobicContact CD1-CG1 4.16Å; L421-I447 HydrophobicContact CG-CD1 4.36Å; L421-I474 HydrophobicContact CD1-CD1 3.9Å; L421-W499 HydrophobicContact CD1-CH2 4.4Å; L421-K602 PolarHBondContact N-O 3.28Å; L421-A603 HydrophobicContact CB-CB 4.2Å; L421-A603 CarbonylContact O-C 3.58Å; L421-A603 WeakPolarHBondContact O-CA 3.31Å; L421-F604 PolarHBondContact O-N 2.86Å
422L95.6Very high73.9Confident0 Ų060.9 Ų60.90%033%0.334CS..EExtended strand (participates in β ladder)trans-99.6121.9172.3-174.661.5000110.6V445 D446 I447 A620 F623L422-V445 HydrophobicContact CD2-CG1 4.12Å; L422-V445 HydrophobicContact CG-CG1 4.21Å; L422-D446 PolarHBondContact N-OD2 3.03Å; L422-D446 PolarHBondContact O-N 3.36Å; L422-I447 PolarHBondContact O-N 3.49Å; L422-I447 VanDerWaalsContact O-N 3.12Å; L422-A620 HydrophobicContact CD2-CB 3.93Å; L422-F623 HydrophobicContact CD1-CB 4Å; L422-F623 HydrophobicContact CD1-CD1 4.1Å; L422-F623 HydrophobicContact CD1-CD2 4.3Å; L422-F623 HydrophobicContact CD1-CG 3.89Å; L422-F623 HydrophobicContact CD2-CB 3.91Å
423Q96.5Very high76.8Confident0 Ų052 Ų520%030%0.295CS..EExtended strand (participates in β ladder)trans-110.5127.1-177.5177.9167.5-37.500112I447 E449 F604 I605 A606Q423-I447 WeakPolarHBondContact CA-O 3.23Å; Q423-I447 HydrophobicContact CB-CB 3.79Å; Q423-I447 HydrophobicContact CB-CD1 3.98Å; Q423-I447 HydrophobicContact CB-CG2 4.17Å; Q423-I447 HydrophobicContact CG-CB 3.85Å; Q423-I447 HydrophobicContact CG-CG2 3.67Å; Q423-E449 HydrophobicContact CG-CB 4.29Å; Q423-E449 PolarHBondContact NE2-OE2 2.86Å; Q423-F604 PolarHBondContact N-O 3.11Å; Q423-I605 HydrophobicContact CB-CB 4.4Å; Q423-I605 HydrophobicContact CB-CG1 4.1Å; Q423-I605 HydrophobicContact CB-CG2 4.49Å; Q423-I605 HydrophobicContact CG-CB 4.49Å; Q423-I605 HydrophobicContact CG-CG1 4.16Å; Q423-I605 HydrophobicContact CG-CG2 4.14Å; Q423-A606 PolarHBondContact O-N 2.98Å
424L94.8Very high79.9Confident0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-89.4113172.117860.2000110.6L426 L441 V445 I447 E449 L610L424-L426 HydrophobicContact CD1-CD2 4.43Å; L424-L426 HydrophobicContact CD2-CD2 3.94Å; L424-L426 HydrophobicContact CD2-CG 4.48Å; L424-L426 HydrophobicContact CG-CD2 3.95Å; L424-L426 HydrophobicContact CG-CG 4.23Å; L424-L441 HydrophobicContact CD1-CD1 3.83Å; L424-L441 HydrophobicContact CD2-CB 3.91Å; L424-L441 HydrophobicContact CD2-CD1 3.96Å; L424-V445 HydrophobicContact CB-CB 4.42Å; L424-V445 HydrophobicContact CB-CG1 4.2Å; L424-V445 HydrophobicContact CB-CG2 4.03Å; L424-I447 PolarHBondContact N-O 3.37Å; L424-E449 PolarHBondContact O-N 2.94Å; L424-L610 HydrophobicContact CD1-CB 4.09Å; L424-L610 HydrophobicContact CD1-CD1 4.06Å
425A92.8Very high82.9Confident10 Ų1049.8 Ų49.88%0.08326%0.261CS..EExtended strand (participates in β ladder)trans-91118.1174.800000112.3I605 A606 G607A425-I605 HydrophobicContact CB-CG2 3.64Å; A425-A606 PolarHBondContact N-O 2.9Å; A425-G607 WeakPolarHBondContact O-CA 3.16Å
426L90.9Very high85.6Confident1 Ų151 Ų511%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-102.283.1-176.8-59.3165.3000111.5L424 H428 A434 D437 V438 V448 E449 G451 L454 L466L424-L426 HydrophobicContact CD1-CD2 4.43Å; L424-L426 HydrophobicContact CD2-CD2 3.94Å; L424-L426 HydrophobicContact CD2-CG 4.48Å; L424-L426 HydrophobicContact CG-CD2 3.95Å; L424-L426 HydrophobicContact CG-CG 4.23Å; L426-H428 PolarHBondContact O-N 3.28Å; L426-H428 VanDerWaalsContact O-N 3.15Å; L426-A434 HydrophobicContact CB-CB 4.27Å; L426-A434 HydrophobicContact CD1-CB 4.18Å; L426-D437 HydrophobicContact CD2-CB 3.96Å; L426-V438 HydrophobicContact CD1-CG2 3.45Å; L426-V438 VanDerWaalsContact CD1-CG2 3.45Å; L426-V438 HydrophobicContact CD2-CG2 4.36Å; L426-V448 HydrophobicContact CD1-CG1 3.62Å; L426-E449 WeakPolarHBondContact CB-O 3.38Å; L426-E449 PolarHBondContact N-O 3.13Å; L426-G451 WeakPolarHBondContact O-CA 3.49Å; L426-G451 PolarHBondContact O-N 3.33Å; L426-L454 HydrophobicContact CB-CD2 4.37Å; L426-L466 HydrophobicContact CD1-CD1 4.04Å; L426-L466 HydrophobicContact CD1-CD2 3.92Å
427D85.3Confident88.1Confident64 Ų6445.6 Ų45.634%0.34223%0.232SC..  trans-8228.7176.3-80.9-32.7000113.7I453 R555D427-I453 HydrophobicContact CB-CD1 4.47Å; D427-R555 IonicContact OD2-NH2 3.4Å; D427-R555 PolarHBondContact OD2-NH2 3.2Å
428H86.6Confident90Very high51 Ų5141.6 Ų41.624%0.23621%0.212CC..  trans-75.1150.1-177.7-71.5-70.1000112.3L426 S430 A433 A434 D437 L454L426-H428 PolarHBondContact O-N 3.28Å; L426-H428 VanDerWaalsContact O-N 3.15Å; H428-S430 VanDerWaalsContact C-N 3.34Å; H428-A433 HydrophobicContact CB-CB 4.05Å; H428-A434 HydrophobicContact CB-CB 4.33Å; H428-D437 IonicContact CD2-OD2 2.63Å; H428-D437 IonicContact CE1-OD2 2.8Å; H428-D437 PolarHBondContact CE1-OD2 3.26Å; H428-D437 IonicContact NE2-OD2 3.19Å; H428-D437 PolarHBondContact NE2-OD2 3.42Å; H428-L454 VanDerWaalsContact O-CA 3.28Å; H428-L454 WeakPolarHBondContact O-CA 3.34Å; H428-L454 WeakPolarHBondContact O-CB 3.46Å; H428-L454 PolarHBondContact O-N 2.99Å
429S87.6Confident91.2Very high82 Ų8243 Ų4357%0.57322%0.219SC*.SBendtrans-81.6-10.817460.60000114N457S429-N457 WeakPolarHBondContact CA-ND2 3.5Å; S429-N457 PolarHBondContact O-ND2 3.27Å
430S91.6Very high91.5Very high40 Ų4044.5 Ų44.528%0.2823%0.229SC..SBendtrans-137.6145.8178.467.90000112.5H428 E432 A433 A434 E458H428-S430 VanDerWaalsContact C-N 3.34Å; S430-E432 VanDerWaalsContact C-N 3.31Å; S430-E432 PolarHBondContact O-N 2.95Å; S430-A433 PolarHBondContact O-N 3.38Å; S430-A434 PolarHBondContact O-N 3.35Å; S430-E458 WeakPolarHBondContact CA-OE1 3.45Å
431L91.5Very high91.5Very high32 Ų3244.5 Ų44.517%0.16823%0.229CC..Hα-helixtrans-60.4-38.2178.5-173.558000112.8A433 A434 Q435 E458 A465L431-A433 VanDerWaalsContact C-N 3.28Å; L431-A433 PolarHBondContact O-N 3.48Å; L431-A434 PolarHBondContact O-N 2.94Å; L431-Q435 HydrophobicContact CD1-CG 4.11Å; L431-Q435 HydrophobicContact CG-CG 4.17Å; L431-Q435 WeakPolarHBondContact O-CG 3.43Å; L431-Q435 PolarHBondContact O-N 3.49Å; L431-E458 HydrophobicContact CB-CG 3.96Å; L431-E458 PolarHBondContact N-OE1 3.39Å; L431-A465 HydrophobicContact CD1-CB 3.95Å; L431-A465 HydrophobicContact CD2-CB 3.75Å; L431-A465 HydrophobicContact CG-CB 4.35Å
432E91.8Very high91.2Very high148 Ų14846 Ų4669%0.69223%0.234SC*.Hα-helixtrans-62.5-32.4178.9-67.5-179.8170.100113.3S430 R436S430-E432 VanDerWaalsContact C-N 3.31Å; S430-E432 PolarHBondContact O-N 2.95Å; E432-R436 WeakPolarHBondContact O-CG 3.46Å; E432-R436 PolarHBondContact O-N 3.3Å; E432-R436 PolarHBondContact O-NE 2.96Å; E432-R436 VanDerWaalsContact O-NE 3.13Å
433A90.5Very high90.9Very high14 Ų1452.3 Ų52.312%0.11627%0.268CS..Hα-helixtrans-73.4-44.6174.300000110.8H428 S430 L431 Q435 R436 D437H428-A433 HydrophobicContact CB-CB 4.05Å; S430-A433 PolarHBondContact O-N 3.38Å; L431-A433 VanDerWaalsContact C-N 3.28Å; L431-A433 PolarHBondContact O-N 3.48Å; A433-Q435 PolarHBondContact O-N 2.87Å; A433-R436 PolarHBondContact O-N 3.41Å; A433-D437 PolarHBondContact O-N 2.98Å
434A92.3Very high90.7Very high0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-58.8-46.5176.600000112.4L426 H428 S430 L431 R436 D437 V438 L454L426-A434 HydrophobicContact CB-CB 4.27Å; L426-A434 HydrophobicContact CD1-CB 4.18Å; H428-A434 HydrophobicContact CB-CB 4.33Å; S430-A434 PolarHBondContact O-N 3.35Å; L431-A434 PolarHBondContact O-N 2.94Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 2.87Å; A434-D437 PolarHBondContact O-N 3.45Å; A434-V438 VanDerWaalsContact O-CG2 3.3Å; A434-V438 WeakPolarHBondContact O-CG2 3.1Å; A434-V438 PolarHBondContact O-N 3.29Å; A434-L454 HydrophobicContact CB-CD1 4.15Å; A434-L454 HydrophobicContact CB-CD2 3.68Å
435Q93.3Very high90.6Very high66 Ų6653.9 Ų53.931%0.30828%0.279SS..Hα-helixtrans-65.5-29179.8-71.7-178.7-50.100113.3L431 A433 T439 Q469L431-Q435 HydrophobicContact CD1-CG 4.11Å; L431-Q435 HydrophobicContact CG-CG 4.17Å; L431-Q435 WeakPolarHBondContact O-CG 3.43Å; L431-Q435 PolarHBondContact O-N 3.49Å; A433-Q435 PolarHBondContact O-N 2.87Å; Q435-T439 WeakPolarHBondContact O-CB 3.46Å; Q435-T439 PolarHBondContact O-N 3.46Å; Q435-T439 PolarHBondContact O-OG1 3.48Å; Q435-Q469 PolarHBondContact O-NE2 3.35Å
436R91Very high90.7Very high166 Ų16655.5 Ų55.563%0.62629%0.286SS*.Hα-helixtrans-67.1-47174.4-80.9-177.4-70.7156.6-2.3111.3E432 A433 A434 V438 T439 Q440E432-R436 WeakPolarHBondContact O-CG 3.46Å; E432-R436 PolarHBondContact O-N 3.3Å; E432-R436 PolarHBondContact O-NE 2.96Å; E432-R436 VanDerWaalsContact O-NE 3.13Å; A433-R436 PolarHBondContact O-N 3.41Å; A434-R436 VanDerWaalsContact C-N 3.28Å; A434-R436 PolarHBondContact O-N 2.87Å; R436-V438 VanDerWaalsContact C-N 3.34Å; R436-V438 PolarHBondContact O-N 3Å; R436-T439 WeakPolarHBondContact O-CB 3.47Å; R436-T439 PolarHBondContact O-N 3.42Å; R436-Q440 PolarHBondContact O-N 2.86Å
437D90.6Very high91Very high22 Ų2255.4 Ų55.412%0.11829%0.286CS..Hα-helixtrans-64.9-40.6178.1-71.44.6000111.5L426 H428 A433 A434 T439 Q440 L441 A611L426-D437 HydrophobicContact CD2-CB 3.96Å; H428-D437 IonicContact CD2-OD2 2.63Å; H428-D437 IonicContact CE1-OD2 2.8Å; H428-D437 PolarHBondContact CE1-OD2 3.26Å; H428-D437 IonicContact NE2-OD2 3.19Å; H428-D437 PolarHBondContact NE2-OD2 3.42Å; A433-D437 PolarHBondContact O-N 2.98Å; A434-D437 PolarHBondContact O-N 3.45Å; D437-T439 VanDerWaalsContact C-N 3.33Å; D437-T439 PolarHBondContact O-N 3.27Å; D437-Q440 PolarHBondContact O-N 3.46Å; D437-Q440 VanDerWaalsContact O-N 3.1Å; D437-L441 WeakPolarHBondContact O-CB 3.35Å; D437-L441 PolarHBondContact O-N 3.37Å; D437-A611 WeakPolarHBondContact OD2-CB 3.45Å
438V92.4Very high91.5Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-60.6-42.8174.4172.90000111.3L426 A434 R436 Q440 L441 K442 V448 L466 Q469 C470L426-V438 HydrophobicContact CD1-CG2 3.45Å; L426-V438 VanDerWaalsContact CD1-CG2 3.45Å; L426-V438 HydrophobicContact CD2-CG2 4.36Å; A434-V438 VanDerWaalsContact O-CG2 3.3Å; A434-V438 WeakPolarHBondContact O-CG2 3.1Å; A434-V438 PolarHBondContact O-N 3.29Å; R436-V438 VanDerWaalsContact C-N 3.34Å; R436-V438 PolarHBondContact O-N 3Å; V438-Q440 PolarHBondContact O-N 3.08Å; V438-L441 PolarHBondContact O-N 3.04Å; V438-K442 HydrophobicContact CG1-CB 4.22Å; V438-K442 WeakPolarHBondContact O-CB 3.41Å; V438-K442 WeakPolarHBondContact O-CG 3.37Å; V438-K442 PolarHBondContact O-N 3.5Å; V438-V448 HydrophobicContact CG2-CG1 3.82Å; V438-L466 HydrophobicContact CG2-CD2 3.79Å; V438-Q469 HydrophobicContact CG1-CG 3.94Å; V438-C470 WeakPolarHBondContact CG1-SG 3.38Å
439T91.2Very high92Very high88 Ų8850.5 Ų50.554%0.5426%0.261SS..Hα-helixtrans-58.8-35.1176.2-58.40000111.8Q435 R436 D437 Q469Q435-T439 WeakPolarHBondContact O-CB 3.46Å; Q435-T439 PolarHBondContact O-N 3.46Å; Q435-T439 PolarHBondContact O-OG1 3.48Å; R436-T439 WeakPolarHBondContact O-CB 3.47Å; R436-T439 PolarHBondContact O-N 3.42Å; D437-T439 VanDerWaalsContact C-N 3.33Å; D437-T439 PolarHBondContact O-N 3.27Å; T439-Q469 PolarHBondContact OG1-NE2 2.88Å
440Q89.3Confident92.3Very high110 Ų11046.6 Ų46.651%0.51423%0.233SC..Hα-helixtrans-80.6-31.7-179.5-172.1174.19.300113.6R436 D437 V438R436-Q440 PolarHBondContact O-N 2.86Å; D437-Q440 PolarHBondContact O-N 3.46Å; D437-Q440 VanDerWaalsContact O-N 3.1Å; V438-Q440 PolarHBondContact O-N 3.08Å
441L91.2Very high92.4Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-116.4-12.6-166.6-78.1167.2000115.4L424 D437 V438 D443 S444 V445 L610 P616 A620L424-L441 HydrophobicContact CD1-CD1 3.83Å; L424-L441 HydrophobicContact CD2-CB 3.91Å; L424-L441 HydrophobicContact CD2-CD1 3.96Å; D437-L441 WeakPolarHBondContact O-CB 3.35Å; D437-L441 PolarHBondContact O-N 3.37Å; V438-L441 PolarHBondContact O-N 3.04Å; L441-D443 PolarHBondContact O-N 3.34Å; L441-S444 CarbonylContact O-C 3.6Å; L441-S444 WeakPolarHBondContact O-CA 3.23Å; L441-S444 PolarHBondContact O-N 3.45Å; L441-V445 PolarHBondContact O-N 2.86Å; L441-L610 HydrophobicContact CD1-CB 3.86Å; L441-P616 HydrophobicContact CD1-CB 4.03Å; L441-P616 HydrophobicContact CD2-CB 3.57Å; L441-P616 HydrophobicContact CG-CB 3.96Å; L441-A620 HydrophobicContact CD2-CB 4.46Å
442K89.1Confident92.4Very high73 Ų7344.7 Ų44.732%0.31722%0.221SC..G310 helixtrans-53-33.2-173.763.5176.4-167.6171.70113.8V438 S444 K473V438-K442 HydrophobicContact CG1-CB 4.22Å; V438-K442 WeakPolarHBondContact O-CB 3.41Å; V438-K442 WeakPolarHBondContact O-CG 3.37Å; V438-K442 PolarHBondContact O-N 3.5Å; K442-S444 VanDerWaalsContact C-N 3.29Å; K442-K473 WeakPolarHBondContact O-CE 3.48Å; K442-K473 PolarHBondContact O-NZ 2.98Å
443D89.2Confident92.3Very high132 Ų13240.9 Ų40.971%0.70621%0.205SC*.G310 helixtrans-83.7-9.1-178.3-59.3-36.6000112.3L441L441-D443 PolarHBondContact O-N 3.34Å
444S91.1Very high92.4Very high32 Ų3240.2 Ų40.222%0.22420%0.199CC..G310 helixtrans-112.44.3-179-49.50000113.6L441 K442 H624L441-S444 CarbonylContact O-C 3.6Å; L441-S444 WeakPolarHBondContact O-CA 3.23Å; L441-S444 PolarHBondContact O-N 3.45Å; K442-S444 VanDerWaalsContact C-N 3.29Å; S444-H624 PolarHBondContact O-NE2 3.23Å; S444-H624 VanDerWaalsContact O-NE2 3.08Å
445V93.6Very high92.4Very high1 Ų140.8 Ų40.81%0.00620%0.203CC..  trans-134.4156.3177.2-57.40000110.7L422 L424 L441 V448 K473 L610L422-V445 HydrophobicContact CD2-CG1 4.12Å; L422-V445 HydrophobicContact CG-CG1 4.21Å; L424-V445 HydrophobicContact CB-CB 4.42Å; L424-V445 HydrophobicContact CB-CG1 4.2Å; L424-V445 HydrophobicContact CB-CG2 4.03Å; L441-V445 PolarHBondContact O-N 2.86Å; V445-V448 HydrophobicContact CG2-CG2 4.24Å; V445-K473 PolarHBondContact O-NZ 2.86Å; V445-L610 HydrophobicContact CG1-CD1 3.99Å
446D94.3Very high92.3Very high43 Ų4344.1 Ų44.123%0.2322%0.223CC..SBendtrans-93.7-34-178.4-58.3-57000111.8R419 L421 L422 I474 H624R419-D446 IonicContact NH1-OD2 3.85Å; L421-D446 WeakPolarHBondContact CA-OD2 3.38Å; L421-D446 HydrophobicContact CB-CB 3.91Å; L421-D446 HydrophobicContact CD2-CB 3.95Å; L421-D446 HydrophobicContact CG-CB 4.36Å; L422-D446 PolarHBondContact N-OD2 3.03Å; L422-D446 PolarHBondContact O-N 3.36Å; D446-I474 PolarHBondContact O-N 2.84Å; D446-H624 IonicContact OD2-CE1 2.69Å; D446-H624 PolarHBondContact OD2-CE1 3.11Å
447I97.1Very high92.4Very high0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-127.6139.7-172.8-53.9153.3000109.7L421 L422 Q423 L424 I474 V476 W499 A603L421-I447 HydrophobicContact CB-CD1 3.56Å; L421-I447 HydrophobicContact CB-CG1 4.27Å; L421-I447 HydrophobicContact CD1-CD1 3.83Å; L421-I447 HydrophobicContact CD1-CG1 4.16Å; L421-I447 HydrophobicContact CG-CD1 4.36Å; L422-I447 PolarHBondContact O-N 3.49Å; L422-I447 VanDerWaalsContact O-N 3.12Å; Q423-I447 WeakPolarHBondContact CA-O 3.23Å; Q423-I447 HydrophobicContact CB-CB 3.79Å; Q423-I447 HydrophobicContact CB-CD1 3.98Å; Q423-I447 HydrophobicContact CB-CG2 4.17Å; Q423-I447 HydrophobicContact CG-CB 3.85Å; Q423-I447 HydrophobicContact CG-CG2 3.67Å; L424-I447 PolarHBondContact N-O 3.37Å; I447-I474 WeakPolarHBondContact CA-O 3.43Å; I447-I474 HydrophobicContact CB-CB 4.27Å; I447-I474 HydrophobicContact CB-CG2 4.49Å; I447-I474 HydrophobicContact CG1-CB 3.86Å; I447-I474 HydrophobicContact CG1-CD1 4.09Å; I447-I474 HydrophobicContact CG1-CG2 4.11Å; I447-I474 HydrophobicContact CG2-CB 4.06Å; I447-I474 HydrophobicContact CG2-CG2 3.85Å; I447-I474 WeakPolarHBondContact CG2-O 3.34Å; I447-V476 HydrophobicContact CG2-CG2 3.37Å; I447-W499 HydrophobicContact CD1-CH2 3.75Å; I447-W499 HydrophobicContact CD1-CZ3 3.57Å; I447-W499 HydrophobicContact CG1-CH2 4.39Å; I447-W499 HydrophobicContact CG1-CZ3 4.26Å; I447-W499 HydrophobicContact CG2-CZ3 4.46Å; I447-A603 HydrophobicContact CD1-CB 3.75Å
448V96.7Very high92.5Very high0 Ų043.4 Ų43.40%023%0.229CC..EExtended strand (participates in β ladder)trans-120.5121.7174.1-176.20000109.2L426 V438 V445 L466 K473 I474 I475 V476L426-V448 HydrophobicContact CD1-CG1 3.62Å; V438-V448 HydrophobicContact CG2-CG1 3.82Å; V445-V448 HydrophobicContact CG2-CG2 4.24Å; V448-L466 HydrophobicContact CG1-CD1 4.17Å; V448-L466 HydrophobicContact CG1-CD2 4.26Å; V448-K473 HydrophobicContact CG2-CB 4.5Å; V448-I474 PolarHBondContact N-O 3.37Å; V448-I475 HydrophobicContact CB-CD1 3.99Å; V448-I475 WeakPolarHBondContact O-CA 3.37Å; V448-V476 PolarHBondContact O-N 3.45Å
449E96.3Very high92.4Very high12 Ų1245 Ų456%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-105.8126-177.6176.3-160.1127.400110.9Q423 L424 L426 G451 V476 D478Q423-E449 HydrophobicContact CG-CB 4.29Å; Q423-E449 PolarHBondContact NE2-OE2 2.86Å; L424-E449 PolarHBondContact O-N 2.94Å; L426-E449 WeakPolarHBondContact CB-O 3.38Å; L426-E449 PolarHBondContact N-O 3.13Å; E449-G451 PolarHBondContact O-N 3.06Å; E449-G451 VanDerWaalsContact O-N 3.17Å; E449-V476 HydrophobicContact CB-CB 3.9Å; E449-V476 HydrophobicContact CB-CG2 4.45Å; E449-V476 HydrophobicContact CG-CB 3.93Å; E449-V476 HydrophobicContact CG-CG1 4.1Å; E449-D478 HydrophobicContact CG-CB 3.74Å
450A95.1Very high92.3Very high0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-75.695.2162.600000108.3L454 C455 A462 V463 L466 V476 D478A450-L454 HydrophobicContact CB-CD2 4.49Å; A450-C455 VanDerWaalsContact CB-SG 3.53Å; A450-C455 PolarHBondContact O-SG 3.27Å; A450-A462 HydrophobicContact CB-CB 4.43Å; A450-V463 HydrophobicContact CB-CG2 4.15Å; A450-L466 HydrophobicContact CB-CD1 3.76Å; A450-V476 PolarHBondContact N-O 3.46Å; A450-D478 WeakPolarHBondContact O-CB 3.34Å; A450-D478 PolarHBondContact O-N 3.26Å; A450-D478 VanDerWaalsContact O-N 3.15Å
451G92Very high92.5Very high0 Ų040 Ų400%023%0.227CC..  trans-60.5158.5-17700000112.5L426 E449 I453 L454 C455L426-G451 WeakPolarHBondContact O-CA 3.49Å; L426-G451 PolarHBondContact O-N 3.33Å; E449-G451 PolarHBondContact O-N 3.06Å; E449-G451 VanDerWaalsContact O-N 3.17Å; G451-I453 VanDerWaalsContact C-N 3.27Å; G451-I453 PolarHBondContact O-N 3.06Å; G451-L454 WeakPolarHBondContact O-CB 3.5Å; G451-L454 PolarHBondContact O-N 3.5Å; G451-C455 PolarHBondContact O-N 2.87Å
452T91.2Very high92.6Very high32 Ų3240 Ų4020%0.19623%0.227CC..Hα-helixtrans-50.8-44.2-177.3-57.40000112.8L454 C455 L456 D478 K480T452-L454 PolarHBondContact O-N 3.29Å; T452-C455 PolarHBondContact O-N 3.2Å; T452-L456 HydrophobicContact CG2-CD1 4.02Å; T452-L456 HydrophobicContact CG2-CG 4.42Å; T452-L456 VanDerWaalsContact O-CG 3.28Å; T452-L456 WeakPolarHBondContact O-CG 3.49Å; T452-L456 PolarHBondContact O-N 3.08Å; T452-D478 VanDerWaalsContact CA-O 3.24Å; T452-D478 WeakPolarHBondContact CA-O 3.4Å; T452-D478 PolarHBondContact N-O 3.02Å; T452-D478 PolarHBondContact N-OD2 3.35Å; T452-D478 PolarHBondContact OG1-O 2.87Å; T452-D478 PolarHBondContact OG1-OD2 3.07Å; T452-K480 HydrophobicContact CG2-CD 4.43Å; T452-K480 WeakPolarHBondContact OG1-CD 3.44Å; T452-K480 PolarHBondContact OG1-NZ 3.01Å; T452-K480 VanDerWaalsContact OG1-NZ 3.14Å
453I90Very high92.9Very high67 Ų6736.5 Ų36.534%0.34421%0.211SC..Hα-helixtrans-64.7-41.5-178.2-62.2175.5000111.3D427 G451 L456 N457D427-I453 HydrophobicContact CB-CD1 4.47Å; G451-I453 VanDerWaalsContact C-N 3.27Å; G451-I453 PolarHBondContact O-N 3.06Å; I453-L456 PolarHBondContact O-N 3.42Å; I453-N457 PolarHBondContact O-N 3.04Å
454L93.1Very high93.3Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-65.7-45.6178.9-177.465.4000110.5L426 H428 A434 A450 G451 T452 L456 N457 E458 A462L426-L454 HydrophobicContact CB-CD2 4.37Å; H428-L454 VanDerWaalsContact O-CA 3.28Å; H428-L454 WeakPolarHBondContact O-CA 3.34Å; H428-L454 WeakPolarHBondContact O-CB 3.46Å; H428-L454 PolarHBondContact O-N 2.99Å; A434-L454 HydrophobicContact CB-CD1 4.15Å; A434-L454 HydrophobicContact CB-CD2 3.68Å; A450-L454 HydrophobicContact CB-CD2 4.49Å; G451-L454 WeakPolarHBondContact O-CB 3.5Å; G451-L454 PolarHBondContact O-N 3.5Å; T452-L454 PolarHBondContact O-N 3.29Å; L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 2.92Å; L454-N457 PolarHBondContact O-N 2.91Å; L454-E458 HydrophobicContact CD1-CG 3.8Å; L454-E458 WeakPolarHBondContact O-CB 3.46Å; L454-E458 PolarHBondContact O-N 3.41Å; L454-A462 HydrophobicContact CD2-CB 4.03Å; L454-A462 HydrophobicContact CG-CB 3.85Å
455C92.3Very high93.5Very high13 Ų1334.7 Ų34.79%0.08820%0.196CC..Hα-helixtrans-62.2-35.4177.1-70.70000112.6A450 G451 T452 G459 W479A450-C455 VanDerWaalsContact CB-SG 3.53Å; A450-C455 PolarHBondContact O-SG 3.27Å; G451-C455 PolarHBondContact O-N 2.87Å; T452-C455 PolarHBondContact O-N 3.2Å; C455-G459 WeakPolarHBondContact O-CA 3.37Å; C455-G459 PolarHBondContact O-N 2.96Å; C455-W479 VanDerWaalsContact SG-CD1 3.51Å; C455-W479 PolarHBondContact SG-NE1 3.15Å
456L92Very high93.6Very high136 Ų13634.6 Ų34.671%0.71220%0.195SC*.Hα-helixtrans-68.3-35.6177.2-74.7171.6000113.1T452 I453 L454T452-L456 HydrophobicContact CG2-CD1 4.02Å; T452-L456 HydrophobicContact CG2-CG 4.42Å; T452-L456 VanDerWaalsContact O-CG 3.28Å; T452-L456 WeakPolarHBondContact O-CG 3.49Å; T452-L456 PolarHBondContact O-N 3.08Å; I453-L456 PolarHBondContact O-N 3.42Å; L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 2.92Å
457N92.4Very high93.7Very high97 Ų9735 Ų3552%0.51919%0.194SC..Hα-helixtrans-85.5-38.4-178-68.9-16.7000113S429 I453 L454S429-N457 WeakPolarHBondContact CA-ND2 3.5Å; S429-N457 PolarHBondContact O-ND2 3.27Å; I453-N457 PolarHBondContact O-N 3.04Å; L454-N457 PolarHBondContact O-N 2.91Å
458E93.2Very high93.6Very high75 Ų7542.7 Ų42.735%0.3523%0.229SC..Hα-helixtrans-106.5-9.6-171.2-56.1-69.2177.800112.8S430 L431 L454 G461 A462S430-E458 WeakPolarHBondContact CA-OE1 3.45Å; L431-E458 HydrophobicContact CB-CG 3.96Å; L431-E458 PolarHBondContact N-OE1 3.39Å; L454-E458 HydrophobicContact CD1-CG 3.8Å; L454-E458 WeakPolarHBondContact O-CB 3.46Å; L454-E458 PolarHBondContact O-N 3.41Å; E458-G461 PolarHBondContact O-N 3.26Å; E458-A462 HydrophobicContact CB-CB 4.02Å
459G89.8Confident93.5Very high33 Ų3344.9 Ų44.934%0.3424%0.24SC..THydrogen-bonded Turntrans59.6-147.2-176.700000113.1C455 G461 A462C455-G459 WeakPolarHBondContact O-CA 3.37Å; C455-G459 PolarHBondContact O-N 2.96Å; G459-G461 PolarHBondContact O-N 3.03Å; G459-G461 VanDerWaalsContact O-N 3.09Å; G459-A462 PolarHBondContact O-N 3.41Å
460L90Very high93.3Very high59 Ų5944.6 Ų44.631%0.30924%0.239SC..Hα-helixtrans-57.9-19.5174.7-87.5143.8000114A462 V463 K464 W479 Q491 A495L460-A462 VanDerWaalsContact C-N 3.26Å; L460-A462 PolarHBondContact O-N 3.36Å; L460-V463 PolarHBondContact O-N 3.37Å; L460-K464 PolarHBondContact O-N 3.06Å; L460-W479 HydrophobicContact CD2-CH2 4.01Å; L460-W479 HydrophobicContact CD2-CZ2 4.22Å; L460-W479 HydrophobicContact CG-CH2 4.16Å; L460-W479 HydrophobicContact CG-CZ2 4.24Å; L460-Q491 HydrophobicContact CD1-CB 4.29Å; L460-Q491 HydrophobicContact CD2-CB 4.08Å; L460-Q491 VanDerWaalsContact CD2-O 3.31Å; L460-Q491 WeakPolarHBondContact CD2-O 3.49Å; L460-A495 HydrophobicContact CD2-CB 3.53Å
461G91.9Very high93.1Very high35 Ų3548.4 Ų48.436%0.36126%0.264SS..Hα-helixtrans-61.2-34.7177.900000112.6E458 G459 K464 A465E458-G461 PolarHBondContact O-N 3.26Å; G459-G461 PolarHBondContact O-N 3.03Å; G459-G461 VanDerWaalsContact O-N 3.09Å; G461-K464 PolarHBondContact O-N 3.05Å; G461-A465 VanDerWaalsContact O-CB 3.27Å; G461-A465 WeakPolarHBondContact O-CB 3.27Å; G461-A465 PolarHBondContact O-N 3.36Å
462A94.1Very high93Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-60.8-51.2177.800000112.1A450 L454 E458 G459 L460 K464 A465 L466A450-A462 HydrophobicContact CB-CB 4.43Å; L454-A462 HydrophobicContact CD2-CB 4.03Å; L454-A462 HydrophobicContact CG-CB 3.85Å; E458-A462 HydrophobicContact CB-CB 4.02Å; G459-A462 PolarHBondContact O-N 3.41Å; L460-A462 VanDerWaalsContact C-N 3.26Å; L460-A462 PolarHBondContact O-N 3.36Å; A462-K464 PolarHBondContact O-N 3.17Å; A462-A465 PolarHBondContact O-N 3.21Å; A462-L466 VanDerWaalsContact O-CG 3.29Å; A462-L466 WeakPolarHBondContact O-CG 3.31Å; A462-L466 PolarHBondContact O-N 3.33Å
463V96.4Very high93Very high0 Ų056.5 Ų56.50%030%0.304CS..Hα-helixtrans-61.8-44.4-178.3179.80000111A450 L460 L466 R467 I475 A477 A495 A497A450-V463 HydrophobicContact CB-CG2 4.15Å; L460-V463 PolarHBondContact O-N 3.37Å; V463-L466 PolarHBondContact O-N 3.08Å; V463-R467 PolarHBondContact O-N 2.97Å; V463-I475 HydrophobicContact CG1-CG2 4.08Å; V463-A477 HydrophobicContact CG2-CB 4.06Å; V463-A495 HydrophobicContact CB-CB 4.12Å; V463-A495 HydrophobicContact CG1-CB 3.89Å; V463-A497 HydrophobicContact CG1-CB 3.94Å
464K96.3Very high93.3Very high111 Ų11155.4 Ų55.448%0.48330%0.298SS..Hα-helixtrans-61.9-47.6178.4-68.9-176.4-180-176.80111.9L460 G461 A462 L466 R467 E468 A495L460-K464 PolarHBondContact O-N 3.06Å; G461-K464 PolarHBondContact O-N 3.05Å; A462-K464 PolarHBondContact O-N 3.17Å; K464-L466 VanDerWaalsContact C-N 3.32Å; K464-L466 PolarHBondContact O-N 3.46Å; K464-R467 PolarHBondContact O-N 3.12Å; K464-E468 WeakPolarHBondContact O-CG 3.42Å; K464-E468 PolarHBondContact O-N 3.23Å; K464-A495 HydrophobicContact CG-CB 3.84Å
465A95.7Very high93.5Very high14 Ų1455.4 Ų55.412%0.11630%0.298CS..Hα-helixtrans-63.5-38.3-179.900000112.3L431 G461 A462 E468 Q469L431-A465 HydrophobicContact CD1-CB 3.95Å; L431-A465 HydrophobicContact CD2-CB 3.75Å; L431-A465 HydrophobicContact CG-CB 4.35Å; G461-A465 VanDerWaalsContact O-CB 3.27Å; G461-A465 WeakPolarHBondContact O-CB 3.27Å; G461-A465 PolarHBondContact O-N 3.36Å; A462-A465 PolarHBondContact O-N 3.21Å; A465-E468 PolarHBondContact O-N 2.93Å; A465-Q469 WeakPolarHBondContact O-CB 3.4Å; A465-Q469 PolarHBondContact O-N 3.36Å
466L96.2Very high93.8Very high0 Ų054.8 Ų54.80%029%0.294CS..Hα-helixtrans-68.9-40.8175.8-67.6-179.3000112.3L426 V438 V448 A450 A462 V463 K464 Q469 C470 I475L426-L466 HydrophobicContact CD1-CD1 4.04Å; L426-L466 HydrophobicContact CD1-CD2 3.92Å; V438-L466 HydrophobicContact CG2-CD2 3.79Å; V448-L466 HydrophobicContact CG1-CD1 4.17Å; V448-L466 HydrophobicContact CG1-CD2 4.26Å; A450-L466 HydrophobicContact CB-CD1 3.76Å; A462-L466 VanDerWaalsContact O-CG 3.29Å; A462-L466 WeakPolarHBondContact O-CG 3.31Å; A462-L466 PolarHBondContact O-N 3.33Å; V463-L466 PolarHBondContact O-N 3.08Å; K464-L466 VanDerWaalsContact C-N 3.32Å; K464-L466 PolarHBondContact O-N 3.46Å; L466-Q469 PolarHBondContact O-N 2.69Å; L466-C470 WeakPolarHBondContact O-CB 3.31Å; L466-C470 PolarHBondContact O-N 3.03Å; L466-I475 HydrophobicContact CB-CD1 4.23Å
467R95.9Very high94Very high51 Ų5148.3 Ų48.319%0.19226%0.26CS..Hα-helixtrans-61-43.4172.9170.756.766.1-156.4-5.1111.8V463 K464 Q469 C470 P471 K473 I475 G496 N498V463-R467 PolarHBondContact O-N 2.97Å; K464-R467 PolarHBondContact O-N 3.12Å; R467-Q469 VanDerWaalsContact C-N 3.3Å; R467-Q469 PolarHBondContact O-N 3.44Å; R467-C470 PolarHBondContact NH1-O 3.3Å; R467-C470 CarbonylContact O-C 3.55Å; R467-C470 VanDerWaalsContact O-C 3.25Å; R467-C470 PolarHBondContact O-N 3.21Å; R467-P471 PolarHBondContact NH1-O 2.77Å; R467-P471 WeakPolarHBondContact O-CA 3.4Å; R467-K473 PolarHBondContact NH1-O 3.2Å; R467-K473 PolarHBondContact NH2-O 2.89Å; R467-I475 HydrophobicContact CB-CG1 4.41Å; R467-G496 VanDerWaalsContact CZ-O 3.28Å; R467-G496 PolarHBondContact NE-O 3.45Å; R467-G496 PolarHBondContact NH2-O 3.18Å; R467-N498 PolarHBondContact NH2-OD1 2.98Å
468E95.1Very high94.2Very high161 Ų16144 Ų4475%0.75224%0.236SC*.Hα-helixtrans-61.8-38.6176.3-76.7177.9-173.900112K464 A465K464-E468 WeakPolarHBondContact O-CG 3.42Å; K464-E468 PolarHBondContact O-N 3.23Å; A465-E468 PolarHBondContact O-N 2.93Å
469Q94.4Very high94.2Very high47 Ų4742.7 Ų42.722%0.2223%0.228CC..Hα-helixtrans-76.5-29.8179.2-165173.923.500113.2Q435 V438 T439 A465 L466 R467Q435-Q469 PolarHBondContact O-NE2 3.35Å; V438-Q469 HydrophobicContact CG1-CG 3.94Å; T439-Q469 PolarHBondContact OG1-NE2 2.88Å; A465-Q469 WeakPolarHBondContact O-CB 3.4Å; A465-Q469 PolarHBondContact O-N 3.36Å; L466-Q469 PolarHBondContact O-N 2.69Å; R467-Q469 VanDerWaalsContact C-N 3.3Å; R467-Q469 PolarHBondContact O-N 3.44Å
470C93.4Very high94.3Very high5 Ų544.1 Ų44.13%0.03423%0.225CC..  trans-130.569.9-176.2-63.70000111.4V438 L466 R467 D472 K473 I475V438-C470 WeakPolarHBondContact CG1-SG 3.38Å; L466-C470 WeakPolarHBondContact O-CB 3.31Å; L466-C470 PolarHBondContact O-N 3.03Å; R467-C470 PolarHBondContact NH1-O 3.3Å; R467-C470 CarbonylContact O-C 3.55Å; R467-C470 VanDerWaalsContact O-C 3.25Å; R467-C470 PolarHBondContact O-N 3.21Å; C470-D472 PolarHBondContact O-N 3.23Å; C470-K473 HydrophobicContact CB-CB 3.87Å; C470-K473 HydrophobicContact CB-CG 3.78Å; C470-K473 PolarHBondContact O-N 2.98Å; C470-I475 HydrophobicContact CB-CD1 4.22Å
471P90.2Very high94.5Very high80 Ų8041.5 Ų41.552%0.51921%0.212SC..THydrogen-bonded Turntrans-60.6-33.3-176.423.1-33.2000112.7R467R467-P471 PolarHBondContact NH1-O 2.77Å; R467-P471 WeakPolarHBondContact O-CA 3.4Å
472D89Confident94.6Very high154 Ų15442.5 Ų42.582%0.82422%0.217SC*.THydrogen-bonded Turntrans-96.11.4-173.5-51.4-48.4000114.1C470C470-D472 PolarHBondContact O-N 3.23Å
473K92.2Very high94.5Very high49 Ų4948.1 Ų48.121%0.21325%0.247CC..SBendtrans-98.7159.1-178.5-58.3-65.4177.2164.80112K442 V445 V448 R467 C470 I475K442-K473 WeakPolarHBondContact O-CE 3.48Å; K442-K473 PolarHBondContact O-NZ 2.98Å; V445-K473 PolarHBondContact O-NZ 2.86Å; V448-K473 HydrophobicContact CG2-CB 4.5Å; R467-K473 PolarHBondContact NH1-O 3.2Å; R467-K473 PolarHBondContact NH2-O 2.89Å; C470-K473 HydrophobicContact CB-CB 3.87Å; C470-K473 HydrophobicContact CB-CG 3.78Å; C470-K473 PolarHBondContact O-N 2.98Å; K473-I475 PolarHBondContact O-N 3.39Å
474I96.6Very high94.4Very high43 Ų4350.4 Ų50.422%0.22127%0.265CS..EExtended strand (participates in β ladder)trans-74.3125.7168.6-63.9172000107.8L421 D446 I447 V448 N498 W499L421-I474 HydrophobicContact CD1-CD1 3.9Å; D446-I474 PolarHBondContact O-N 2.84Å; I447-I474 WeakPolarHBondContact CA-O 3.43Å; I447-I474 HydrophobicContact CB-CB 4.27Å; I447-I474 HydrophobicContact CB-CG2 4.49Å; I447-I474 HydrophobicContact CG1-CB 3.86Å; I447-I474 HydrophobicContact CG1-CD1 4.09Å; I447-I474 HydrophobicContact CG1-CG2 4.11Å; I447-I474 HydrophobicContact CG2-CB 4.06Å; I447-I474 HydrophobicContact CG2-CG2 3.85Å; I447-I474 WeakPolarHBondContact CG2-O 3.34Å; V448-I474 PolarHBondContact N-O 3.37Å; I474-N498 VanDerWaalsContact CA-OD1 3.29Å; I474-N498 WeakPolarHBondContact CA-OD1 3.42Å; I474-N498 HydrophobicContact CG2-CB 3.93Å; I474-W499 HydrophobicContact CD1-CH2 4.25Å; I474-W499 HydrophobicContact CD1-CZ2 3.95Å; I474-W499 HydrophobicContact CG2-CD2 3.73Å; I474-W499 HydrophobicContact CG2-CE3 3.98Å; I474-W499 HydrophobicContact CG2-CG 4.24Å; I474-W499 HydrophobicContact CG2-CH2 4.31Å; I474-W499 HydrophobicContact CG2-CZ2 4.08Å; I474-W499 HydrophobicContact CG2-CZ3 4.27Å
475I97.5Very high94.1Very high0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-106.2127.1177.3-57.5-59.5000109.5V448 V463 L466 R467 C470 K473 N498 W499V448-I475 HydrophobicContact CB-CD1 3.99Å; V448-I475 WeakPolarHBondContact O-CA 3.37Å; V463-I475 HydrophobicContact CG1-CG2 4.08Å; L466-I475 HydrophobicContact CB-CD1 4.23Å; R467-I475 HydrophobicContact CB-CG1 4.41Å; C470-I475 HydrophobicContact CB-CD1 4.22Å; K473-I475 PolarHBondContact O-N 3.39Å; I475-N498 PolarHBondContact N-OD1 3.04Å; I475-N498 PolarHBondContact O-N 3.09Å; I475-W499 PolarHBondContact O-N 3.3Å; I475-W499 VanDerWaalsContact O-N 3.16Å
476V97.7Very high94.2Very high0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-107.3128.7177.9-172.70000109.9I447 V448 E449 A450 W499 T501I447-V476 HydrophobicContact CG2-CG2 3.37Å; V448-V476 PolarHBondContact O-N 3.45Å; E449-V476 HydrophobicContact CB-CB 3.9Å; E449-V476 HydrophobicContact CB-CG2 4.45Å; E449-V476 HydrophobicContact CG-CB 3.93Å; E449-V476 HydrophobicContact CG-CG1 4.1Å; A450-V476 PolarHBondContact N-O 3.46Å; V476-W499 WeakPolarHBondContact CA-O 3.41Å; V476-W499 HydrophobicContact CG1-CB 4.23Å; V476-W499 HydrophobicContact CG2-CB 4.14Å; V476-W499 HydrophobicContact CG2-CD2 4.37Å; V476-W499 HydrophobicContact CG2-CE3 3.73Å; V476-T501 HydrophobicContact CG1-CG2 4.33Å
477A96.6Very high94.1Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-95.193.8168.700000109.3V463 W479 A492 A497 W499 M500 T501V463-A477 HydrophobicContact CG2-CB 4.06Å; A477-W479 VanDerWaalsContact C-N 3.34Å; A477-W479 HydrophobicContact CB-CD2 4.45Å; A477-W479 HydrophobicContact CB-CG 4.5Å; A477-W479 PolarHBondContact O-N 3.49Å; A477-A492 HydrophobicContact CB-CB 3.89Å; A477-A497 HydrophobicContact CB-CB 3.96Å; A477-W499 PolarHBondContact N-O 3.38Å; A477-M500 WeakPolarHBondContact O-CA 3.46Å; A477-T501 PolarHBondContact O-N 3.25Å; A477-T501 VanDerWaalsContact O-N 3.17Å
478D95.6Very high94.1Very high6 Ų651.8 Ų51.83%0.03228%0.28CS..EExtended strand (participates in β ladder)trans-81.978.8-178.9177.342.7000111.3E449 A450 T452 K480 T501E449-D478 HydrophobicContact CG-CB 3.74Å; A450-D478 WeakPolarHBondContact O-CB 3.34Å; A450-D478 PolarHBondContact O-N 3.26Å; A450-D478 VanDerWaalsContact O-N 3.15Å; T452-D478 VanDerWaalsContact CA-O 3.24Å; T452-D478 WeakPolarHBondContact CA-O 3.4Å; T452-D478 PolarHBondContact N-O 3.02Å; T452-D478 PolarHBondContact N-OD2 3.35Å; T452-D478 PolarHBondContact OG1-O 2.87Å; T452-D478 PolarHBondContact OG1-OD2 3.07Å; D478-K480 IonicContact OD1-NZ 3.79Å; D478-K480 PolarHBondContact OD1-NZ 3.27Å; D478-K480 IonicContact OD2-NZ 3.94Å; D478-K480 PolarHBondContact OD2-NZ 3.23Å; D478-T501 VanDerWaalsContact CA-OG1 3.28Å; D478-T501 WeakPolarHBondContact CA-OG1 3.39Å; D478-T501 HydrophobicContact CB-CG2 4.26Å; D478-T501 WeakPolarHBondContact OD1-CB 3.4Å; D478-T501 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T501 PolarHBondContact OD1-OG1 3.12Å
479W93.3Very high94.2Very high48 Ų4844.1 Ų44.118%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-98.7-14-174.8-70.21.6000114.3C455 L460 A477 V481 L488 Q491 A492 M500 T501C455-W479 VanDerWaalsContact SG-CD1 3.51Å; C455-W479 PolarHBondContact SG-NE1 3.15Å; L460-W479 HydrophobicContact CD2-CH2 4.01Å; L460-W479 HydrophobicContact CD2-CZ2 4.22Å; L460-W479 HydrophobicContact CG-CH2 4.16Å; L460-W479 HydrophobicContact CG-CZ2 4.24Å; A477-W479 VanDerWaalsContact C-N 3.34Å; A477-W479 HydrophobicContact CB-CD2 4.45Å; A477-W479 HydrophobicContact CB-CG 4.5Å; A477-W479 PolarHBondContact O-N 3.49Å; W479-V481 HydrophobicContact CB-CG2 3.89Å; W479-V481 HydrophobicContact CE3-CG2 4.48Å; W479-V481 PolarHBondContact O-N 3.18Å; W479-L488 HydrophobicContact CE3-CB 4.02Å; W479-L488 HydrophobicContact CE3-CD2 4.13Å; W479-L488 HydrophobicContact CZ3-CB 3.95Å; W479-L488 HydrophobicContact CZ3-CD2 3.86Å; W479-L488 HydrophobicContact CZ3-CG 4.49Å; W479-L488 VanDerWaalsContact CZ3-O 3.29Å; W479-L488 WeakPolarHBondContact CZ3-O 3.21Å; W479-Q491 HydrophobicContact CH2-CB 3.99Å; W479-Q491 HydrophobicContact CZ3-CB 4.23Å; W479-A492 HydrophobicContact CE3-CB 4.4Å; W479-A492 HydrophobicContact CH2-CB 3.94Å; W479-A492 HydrophobicContact CZ2-CB 4.32Å; W479-A492 HydrophobicContact CZ3-CB 3.99Å; W479-M500 HydrophobicContact CE3-SD 4.17Å; W479-T501 PolarHBondContact N-OG1 2.95Å
480K93Very high94.3Very high63 Ų6347.4 Ų47.427%0.27426%0.26SS..EExtended strand (participates in β ladder)trans50.348.1-177.3-69.6165.517647.50111.6T452 D478 A482 T501 I503 E528T452-K480 HydrophobicContact CG2-CD 4.43Å; T452-K480 WeakPolarHBondContact OG1-CD 3.44Å; T452-K480 PolarHBondContact OG1-NZ 3.01Å; T452-K480 VanDerWaalsContact OG1-NZ 3.14Å; D478-K480 IonicContact OD1-NZ 3.79Å; D478-K480 PolarHBondContact OD1-NZ 3.27Å; D478-K480 IonicContact OD2-NZ 3.94Å; D478-K480 PolarHBondContact OD2-NZ 3.23Å; K480-A482 PolarHBondContact O-N 3.45Å; K480-T501 PolarHBondContact N-O 3.44Å; K480-T501 PolarHBondContact N-OG1 3.02Å; K480-I503 HydrophobicContact CB-CB 4.47Å; K480-E528 VanDerWaalsContact CE-CD 3.41Å; K480-E528 WeakPolarHBondContact CE-OE1 3.49Å; K480-E528 WeakPolarHBondContact CE-OE2 3.25Å; K480-E528 WeakPolarHBondContact CG-OE2 3.42Å; K480-E528 IonicContact NZ-OE1 3.49Å; K480-E528 PolarHBondContact NZ-OE1 3.2Å; K480-E528 IonicContact NZ-OE2 3.54Å; K480-E528 PolarHBondContact NZ-OE2 3.34Å
481V94.4Very high94.4Very high5 Ų551 Ų513%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-56.6127.5-174.31750000110.1W479 D483 L488 M500 T501 I502 I503 T510W479-V481 HydrophobicContact CB-CG2 3.89Å; W479-V481 HydrophobicContact CE3-CG2 4.48Å; W479-V481 PolarHBondContact O-N 3.18Å; V481-D483 WeakPolarHBondContact CG1-O 3.32Å; V481-L488 HydrophobicContact CB-CD1 4.32Å; V481-L488 HydrophobicContact CG1-CD1 3.69Å; V481-L488 HydrophobicContact CG2-CB 4.07Å; V481-L488 HydrophobicContact CG2-CD1 3.81Å; V481-M500 HydrophobicContact CG2-CE 4.23Å; V481-M500 HydrophobicContact CG2-CG 4.49Å; V481-M500 HydrophobicContact CG2-SD 3.97Å; V481-T501 PolarHBondContact N-O 3.43Å; V481-T501 VanDerWaalsContact N-O 3.07Å; V481-I502 HydrophobicContact CB-CG1 4.16Å; V481-I502 VanDerWaalsContact O-CG2 3.25Å; V481-I502 WeakPolarHBondContact O-CG2 3.42Å; V481-I503 PolarHBondContact O-N 3.1Å; V481-T510 HydrophobicContact CG1-CG2 4.39Å
482A93.1Very high94.6Very high56 Ų5647.2 Ų47.246%0.46325%0.252SS..  trans-108.2-23.917700000113K480 I503 P507K480-A482 PolarHBondContact O-N 3.45Å; A482-I503 HydrophobicContact CB-CG2 3.96Å; A482-P507 WeakPolarHBondContact O-CD 3.5Å
483D93Very high95Very high118 Ų11840.7 Ų40.763%0.63122%0.216SC*.SBendtrans-150.8164.5179.4-167.815.5000110.2V481 L488V481-D483 WeakPolarHBondContact CG1-O 3.32Å; D483-L488 WeakPolarHBondContact O-CD1 3.4Å
484A92.6Very high95.1Very high47 Ų4741.6 Ų41.639%0.38824%0.239SC..  trans6041.4-179.100000114.6E486 T487 L488A484-E486 PolarHBondContact O-N 2.94Å; A484-T487 PolarHBondContact O-N 2.82Å; A484-L488 PolarHBondContact O-N 3.09Å
485G91.8Very high95Very high2 Ų240 Ų402%0.02123%0.232CC..Hα-helixtrans-51.3-45.3-175.100000114.9A489G485-A489 WeakPolarHBondContact O-CB 3.33Å; G485-A489 PolarHBondContact O-N 2.91Å
486E95.9Very high94.9Very high81 Ų8140.9 Ų40.938%0.37924%0.242SC..Hα-helixtrans-64.3-47.7178.8176.9173.4-151.500112.7A484 A489 Q490 K513 M517A484-E486 PolarHBondContact O-N 2.94Å; E486-A489 PolarHBondContact O-N 3.32Å; E486-Q490 WeakPolarHBondContact O-CB 3.38Å; E486-Q490 PolarHBondContact O-N 3.32Å; E486-K513 HydrophobicContact CB-CB 4.06Å; E486-M517 HydrophobicContact CG-CB 4.34Å; E486-M517 HydrophobicContact CG-CE 3.6Å
487T95.3Very high94.8Very high73 Ų7341.3 Ų41.345%0.44825%0.245SC..Hα-helixtrans-65.4-42.5-177.4-560000111.3A484 Q491A484-T487 PolarHBondContact O-N 2.82Å; T487-Q491 WeakPolarHBondContact O-CG 3.43Å; T487-Q491 PolarHBondContact O-N 3.38Å
488L96.1Very high94.9Very high49 Ų4943.8 Ų43.826%0.25726%0.259SS..Hα-helixtrans-72.8-38.7179.5-67.9174.9000111.7W479 V481 D483 A484 Q490 Q491 A492 M500W479-L488 HydrophobicContact CE3-CB 4.02Å; W479-L488 HydrophobicContact CE3-CD2 4.13Å; W479-L488 HydrophobicContact CZ3-CB 3.95Å; W479-L488 HydrophobicContact CZ3-CD2 3.86Å; W479-L488 HydrophobicContact CZ3-CG 4.49Å; W479-L488 VanDerWaalsContact CZ3-O 3.29Å; W479-L488 WeakPolarHBondContact CZ3-O 3.21Å; V481-L488 HydrophobicContact CB-CD1 4.32Å; V481-L488 HydrophobicContact CG1-CD1 3.69Å; V481-L488 HydrophobicContact CG2-CB 4.07Å; V481-L488 HydrophobicContact CG2-CD1 3.81Å; D483-L488 WeakPolarHBondContact O-CD1 3.4Å; A484-L488 PolarHBondContact O-N 3.09Å; L488-Q490 PolarHBondContact O-N 2.95Å; L488-Q491 PolarHBondContact O-N 3.34Å; L488-A492 WeakPolarHBondContact O-CB 3.49Å; L488-A492 PolarHBondContact O-N 3.27Å; L488-M500 HydrophobicContact CB-SD 4.4Å
489A96.5Very high95Very high0 Ų043.9 Ų43.90%026%0.259CS..Hα-helixtrans-55.8-50.3170.700000111.6G485 E486 Q491 A492 F493 M500 M517G485-A489 WeakPolarHBondContact O-CB 3.33Å; G485-A489 PolarHBondContact O-N 2.91Å; E486-A489 PolarHBondContact O-N 3.32Å; A489-Q491 PolarHBondContact O-N 3.22Å; A489-A492 PolarHBondContact O-N 3.46Å; A489-F493 HydrophobicContact CB-CD2 4.03Å; A489-F493 HydrophobicContact CB-CE2 3.72Å; A489-F493 WeakPolarHBondContact O-CD2 3.08Å; A489-F493 WeakPolarHBondContact O-CG 3.31Å; A489-F493 PolarHBondContact O-N 3.02Å; A489-M500 HydrophobicContact CB-CE 3.66Å; A489-M500 HydrophobicContact CB-SD 4.42Å; A489-M517 HydrophobicContact CB-CB 3.76Å; A489-M517 HydrophobicContact CB-CG 3.76Å
490Q95.8Very high95.2Very high116 Ų11641.6 Ų41.654%0.54225%0.25SC..Hα-helixtrans-56.9-39.2179-172.9179.131.600112E486 L488 G494 M517E486-Q490 WeakPolarHBondContact O-CB 3.38Å; E486-Q490 PolarHBondContact O-N 3.32Å; L488-Q490 PolarHBondContact O-N 2.95Å; Q490-G494 WeakPolarHBondContact O-CA 3.06Å; Q490-G494 PolarHBondContact O-N 3.28Å; Q490-M517 HydrophobicContact CB-CE 4.49Å; Q490-M517 HydrophobicContact CB-CG 4.08Å; Q490-M517 HydrophobicContact CB-SD 4.21Å; Q490-M517 HydrophobicContact CG-SD 4.47Å
491Q95.7Very high95.4Very high81 Ų8138.7 Ų38.738%0.37924%0.237SC..Hα-helixtrans-71-46.4178-72-179.520.800112.4L460 W479 T487 L488 A489 A495L460-Q491 HydrophobicContact CD1-CB 4.29Å; L460-Q491 HydrophobicContact CD2-CB 4.08Å; L460-Q491 VanDerWaalsContact CD2-O 3.31Å; L460-Q491 WeakPolarHBondContact CD2-O 3.49Å; W479-Q491 HydrophobicContact CH2-CB 3.99Å; W479-Q491 HydrophobicContact CZ3-CB 4.23Å; T487-Q491 WeakPolarHBondContact O-CG 3.43Å; T487-Q491 PolarHBondContact O-N 3.38Å; L488-Q491 PolarHBondContact O-N 3.34Å; A489-Q491 PolarHBondContact O-N 3.22Å; Q491-A495 WeakPolarHBondContact O-CB 3.46Å; Q491-A495 PolarHBondContact O-N 3.47Å
492A96Very high95.5Very high0 Ų038.4 Ų38.40%024%0.236CC..Hα-helixtrans-62-52.6-179.800000111.7A477 W479 L488 A489 A495 G496 A497 M500A477-A492 HydrophobicContact CB-CB 3.89Å; W479-A492 HydrophobicContact CE3-CB 4.4Å; W479-A492 HydrophobicContact CH2-CB 3.94Å; W479-A492 HydrophobicContact CZ2-CB 4.32Å; W479-A492 HydrophobicContact CZ3-CB 3.99Å; L488-A492 WeakPolarHBondContact O-CB 3.49Å; L488-A492 PolarHBondContact O-N 3.27Å; A489-A492 PolarHBondContact O-N 3.46Å; A492-A495 PolarHBondContact O-N 3.09Å; A492-G496 PolarHBondContact O-N 3.3Å; A492-A497 HydrophobicContact CB-CB 4.32Å; A492-A497 VanDerWaalsContact O-CB 3.27Å; A492-A497 WeakPolarHBondContact O-CB 3.13Å; A492-A497 PolarHBondContact O-N 2.87Å; A492-A497 VanDerWaalsContact O-N 3.08Å; A492-M500 HydrophobicContact CB-CB 4.36Å; A492-M500 HydrophobicContact CB-CG 4.2Å; A492-M500 HydrophobicContact CB-SD 3.8Å
493F96.8Very high95.6Very high17 Ų1737.8 Ų37.88%0.07522%0.224CC..Hα-helixtrans-68.7-37.3180-57.9-56.6000111.8A489 A495 G496 A497 N498 M500 A518 C521 I525A489-F493 HydrophobicContact CB-CD2 4.03Å; A489-F493 HydrophobicContact CB-CE2 3.72Å; A489-F493 WeakPolarHBondContact O-CD2 3.08Å; A489-F493 WeakPolarHBondContact O-CG 3.31Å; A489-F493 PolarHBondContact O-N 3.02Å; F493-A495 PolarHBondContact O-N 3.13Å; F493-G496 PolarHBondContact O-N 2.82Å; F493-A497 HydrophobicContact CD1-CB 4.48Å; F493-A497 WeakPolarHBondContact CD1-O 3.47Å; F493-N498 VanDerWaalsContact CE1-O 3.26Å; F493-N498 WeakPolarHBondContact CE1-O 3.49Å; F493-M500 HydrophobicContact CE1-CB 4.4Å; F493-M500 HydrophobicContact CZ-CB 4Å; F493-A518 HydrophobicContact CD2-CB 4.33Å; F493-A518 HydrophobicContact CE2-CB 3.36Å; F493-A518 HydrophobicContact CZ-CB 3.48Å; F493-A518 VanDerWaalsContact CZ-CB 3.48Å; F493-C521 HydrophobicContact CB-CB 3.63Å; F493-C521 HydrophobicContact CD2-CB 4.16Å; F493-C521 HydrophobicContact CG-CB 3.99Å; F493-I525 HydrophobicContact CE2-CD1 4.43Å; F493-I525 HydrophobicContact CZ-CD1 4.16Å
494G93.7Very high95.6Very high68 Ų6832.7 Ų32.770%0.70120%0.198SC*.Hα-helixtrans-64.8-22.8173.200000114.3Q490 G496Q490-G494 WeakPolarHBondContact O-CA 3.06Å; Q490-G494 PolarHBondContact O-N 3.28Å; G494-G496 VanDerWaalsContact C-N 3.31Å
495A95Very high95.6Very high9 Ų934.2 Ų34.27%0.07421%0.21CC..THydrogen-bonded Turntrans-84.8-4.2171.800000113.7L460 V463 K464 Q491 A492 F493L460-A495 HydrophobicContact CD2-CB 3.53Å; V463-A495 HydrophobicContact CB-CB 4.12Å; V463-A495 HydrophobicContact CG1-CB 3.89Å; K464-A495 HydrophobicContact CG-CB 3.84Å; Q491-A495 WeakPolarHBondContact O-CB 3.46Å; Q491-A495 PolarHBondContact O-N 3.47Å; A492-A495 PolarHBondContact O-N 3.09Å; F493-A495 PolarHBondContact O-N 3.13Å
496G94.5Very high95.7Very high20 Ų2034.4 Ų34.421%0.20621%0.212CC..THydrogen-bonded Turntrans99.613.1177.900000114.8R467 A492 F493 G494R467-G496 VanDerWaalsContact CZ-O 3.28Å; R467-G496 PolarHBondContact NE-O 3.45Å; R467-G496 PolarHBondContact NH2-O 3.18Å; A492-G496 PolarHBondContact O-N 3.3Å; F493-G496 PolarHBondContact O-N 2.82Å; G494-G496 VanDerWaalsContact C-N 3.31Å
497A97Very high95.6Very high9 Ų934.2 Ų34.27%0.07422%0.217CC..  trans-65.3149.616700000110.7V463 A477 A492 F493V463-A497 HydrophobicContact CG1-CB 3.94Å; A477-A497 HydrophobicContact CB-CB 3.96Å; A492-A497 HydrophobicContact CB-CB 4.32Å; A492-A497 VanDerWaalsContact O-CB 3.27Å; A492-A497 WeakPolarHBondContact O-CB 3.13Å; A492-A497 PolarHBondContact O-N 2.87Å; A492-A497 VanDerWaalsContact O-N 3.08Å; F493-A497 HydrophobicContact CD1-CB 4.48Å; F493-A497 WeakPolarHBondContact CD1-O 3.47Å
498N97.6Very high95.4Very high52 Ų5233.4 Ų33.428%0.27821%0.21SC..SBendtrans-96.3-36.9165.4-60.3100.9000110.8R467 I474 I475 F493 G523 E524R467-N498 PolarHBondContact NH2-OD1 2.98Å; I474-N498 VanDerWaalsContact CA-OD1 3.29Å; I474-N498 WeakPolarHBondContact CA-OD1 3.42Å; I474-N498 HydrophobicContact CG2-CB 3.93Å; I475-N498 PolarHBondContact N-OD1 3.04Å; I475-N498 PolarHBondContact O-N 3.09Å; F493-N498 VanDerWaalsContact CE1-O 3.26Å; F493-N498 WeakPolarHBondContact CE1-O 3.49Å; N498-G523 CarbonylContact O-C 3.58Å; N498-G523 WeakPolarHBondContact O-CA 3.43Å; N498-E524 PolarHBondContact O-N 3.33Å
499W97.7Very high95.3Very high8 Ų833.8 Ų33.83%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-125149.1-178.1-56-21.9000111.4L421 I447 I474 I475 V476 A477 E524 Q526 K602L421-W499 HydrophobicContact CD1-CH2 4.4Å; I447-W499 HydrophobicContact CD1-CH2 3.75Å; I447-W499 HydrophobicContact CD1-CZ3 3.57Å; I447-W499 HydrophobicContact CG1-CH2 4.39Å; I447-W499 HydrophobicContact CG1-CZ3 4.26Å; I447-W499 HydrophobicContact CG2-CZ3 4.46Å; I474-W499 HydrophobicContact CD1-CH2 4.25Å; I474-W499 HydrophobicContact CD1-CZ2 3.95Å; I474-W499 HydrophobicContact CG2-CD2 3.73Å; I474-W499 HydrophobicContact CG2-CE3 3.98Å; I474-W499 HydrophobicContact CG2-CG 4.24Å; I474-W499 HydrophobicContact CG2-CH2 4.31Å; I474-W499 HydrophobicContact CG2-CZ2 4.08Å; I474-W499 HydrophobicContact CG2-CZ3 4.27Å; I475-W499 PolarHBondContact O-N 3.3Å; I475-W499 VanDerWaalsContact O-N 3.16Å; V476-W499 WeakPolarHBondContact CA-O 3.41Å; V476-W499 HydrophobicContact CG1-CB 4.23Å; V476-W499 HydrophobicContact CG2-CB 4.14Å; V476-W499 HydrophobicContact CG2-CD2 4.37Å; V476-W499 HydrophobicContact CG2-CE3 3.73Å; A477-W499 PolarHBondContact N-O 3.38Å; W499-E524 VanDerWaalsContact CA-O 3.28Å; W499-E524 WeakPolarHBondContact CA-O 3.39Å; W499-E524 HydrophobicContact CG-CB 4.45Å; W499-E524 PolarHBondContact NE1-OE1 3.21Å; W499-Q526 HydrophobicContact CB-CG 4.44Å; W499-Q526 VanDerWaalsContact CE3-NE2 3.28Å; W499-K602 HydrophobicContact CH2-CG 4.14Å
500M97.3Very high95.2Very high0 Ų034.3 Ų34.30%022%0.223CC..EExtended strand (participates in β ladder)trans-134.4140.9174.7-176.3-176.76900110.8A477 W479 V481 L488 A489 A492 F493 I502 E524 I525 Q526A477-M500 WeakPolarHBondContact O-CA 3.46Å; W479-M500 HydrophobicContact CE3-SD 4.17Å; V481-M500 HydrophobicContact CG2-CE 4.23Å; V481-M500 HydrophobicContact CG2-CG 4.49Å; V481-M500 HydrophobicContact CG2-SD 3.97Å; L488-M500 HydrophobicContact CB-SD 4.4Å; A489-M500 HydrophobicContact CB-CE 3.66Å; A489-M500 HydrophobicContact CB-SD 4.42Å; A492-M500 HydrophobicContact CB-CB 4.36Å; A492-M500 HydrophobicContact CB-CG 4.2Å; A492-M500 HydrophobicContact CB-SD 3.8Å; F493-M500 HydrophobicContact CE1-CB 4.4Å; F493-M500 HydrophobicContact CZ-CB 4Å; M500-I502 HydrophobicContact CE-CD1 4.37Å; M500-I502 HydrophobicContact CE-CG1 4.24Å; M500-E524 PolarHBondContact N-O 3.06Å; M500-I525 HydrophobicContact CB-CD1 4.17Å; M500-I525 HydrophobicContact CE-CD1 3.53Å; M500-I525 WeakPolarHBondContact O-CA 3.41Å; M500-Q526 PolarHBondContact O-N 3.27Å
501T97.2Very high95.2Very high1 Ų128.8 Ų28.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-90.8134.4178.266.10000112.7V476 A477 D478 W479 K480 V481 Q526 I550V476-T501 HydrophobicContact CG1-CG2 4.33Å; A477-T501 PolarHBondContact O-N 3.25Å; A477-T501 VanDerWaalsContact O-N 3.17Å; D478-T501 VanDerWaalsContact CA-OG1 3.28Å; D478-T501 WeakPolarHBondContact CA-OG1 3.39Å; D478-T501 HydrophobicContact CB-CG2 4.26Å; D478-T501 WeakPolarHBondContact OD1-CB 3.4Å; D478-T501 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T501 PolarHBondContact OD1-OG1 3.12Å; W479-T501 PolarHBondContact N-OG1 2.95Å; K480-T501 PolarHBondContact N-O 3.44Å; K480-T501 PolarHBondContact N-OG1 3.02Å; V481-T501 PolarHBondContact N-O 3.43Å; V481-T501 VanDerWaalsContact N-O 3.07Å; T501-Q526 WeakPolarHBondContact CA-O 3.49Å; T501-Q526 HydrophobicContact CG2-CB 4.35Å; T501-I550 HydrophobicContact CG2-CD1 3.52Å
502I96.9Very high95.2Very high0 Ų030 Ų300%020%0.203CC..EExtended strand (participates in β ladder)trans-117.6133.4169.1-59-170.8000107.1V481 M500 A506 V511 I525 Q526 I527 E528V481-I502 HydrophobicContact CB-CG1 4.16Å; V481-I502 VanDerWaalsContact O-CG2 3.25Å; V481-I502 WeakPolarHBondContact O-CG2 3.42Å; M500-I502 HydrophobicContact CE-CD1 4.37Å; M500-I502 HydrophobicContact CE-CG1 4.24Å; I502-A506 HydrophobicContact CG2-CB 3.61Å; I502-V511 HydrophobicContact CG2-CG2 4.06Å; I502-I525 HydrophobicContact CB-CG2 4.18Å; I502-I525 HydrophobicContact CD1-CD1 4.06Å; I502-I525 HydrophobicContact CD1-CG1 4.34Å; I502-I525 HydrophobicContact CD1-CG2 3.7Å; I502-I525 HydrophobicContact CG1-CD1 4.34Å; I502-I525 HydrophobicContact CG1-CG2 3.74Å; I502-Q526 PolarHBondContact N-O 3.47Å; I502-I527 HydrophobicContact CB-CD1 4.21Å; I502-I527 CarbonylContact O-C 3.56Å; I502-I527 WeakPolarHBondContact O-CA 3.44Å; I502-E528 PolarHBondContact O-N 2.83Å
503I95Very high95.2Very high43 Ų4335.8 Ų35.822%0.22123%0.228CC..EExtended strand (participates in β ladder)trans-73.4141.2179.8-164.9169.9000110.1K480 V481 A482 A505 A506K480-I503 HydrophobicContact CB-CB 4.47Å; V481-I503 PolarHBondContact O-N 3.1Å; A482-I503 HydrophobicContact CB-CG2 3.96Å; I503-A505 HydrophobicContact CG2-CB 4.42Å; I503-A505 PolarHBondContact O-N 3.4Å; I503-A506 HydrophobicContact CG2-CB 4.38Å; I503-A506 WeakPolarHBondContact O-CB 3.23Å; I503-A506 PolarHBondContact O-N 2.87Å
504C93.5Very high95.1Very high11 Ų1135 Ų357%0.07423%0.225CC..THydrogen-bonded Turntrans-58.8-20.3-178.8660000114.6A506 I527 E528 L529 F530 W533 W541C504-A506 VanDerWaalsContact C-N 3.27Å; C504-A506 PolarHBondContact O-N 3.39Å; C504-I527 HydrophobicContact CB-CG2 3.78Å; C504-E528 WeakPolarHBondContact CB-O 3.29Å; C504-E528 PolarHBondContact N-O 2.62Å; C504-E528 PolarHBondContact SG-O 3Å; C504-L529 HydrophobicContact CB-CD2 4.11Å; C504-F530 PolarHBondContact SG-N 3.14Å; C504-F530 VanDerWaalsContact SG-N 3.37Å; C504-F530 PolarHBondContact SG-O 3.18Å; C504-W533 HydrophobicContact CB-CB 4.38Å; C504-W541 HydrophobicContact CB-CH2 3.64Å; C504-W541 HydrophobicContact CB-CZ2 3.76Å
505A92.4Very high95.2Very high78 Ų7832.5 Ų32.565%0.64520%0.195SC*.THydrogen-bonded Turntrans-79-5.4175.300000113.9I503I503-A505 HydrophobicContact CG2-CB 4.42Å; I503-A505 PolarHBondContact O-N 3.4Å
506A93.5Very high95.1Very high7 Ų734.3 Ų34.36%0.05821%0.21CC..SBendtrans-64.8140.517600000110.2I502 I503 C504 L508 T510 V511I502-A506 HydrophobicContact CG2-CB 3.61Å; I503-A506 HydrophobicContact CG2-CB 4.38Å; I503-A506 WeakPolarHBondContact O-CB 3.23Å; I503-A506 PolarHBondContact O-N 2.87Å; C504-A506 VanDerWaalsContact C-N 3.27Å; C504-A506 PolarHBondContact O-N 3.39Å; A506-L508 PolarHBondContact O-N 2.9Å; A506-T510 HydrophobicContact CB-CG2 4.32Å; A506-V511 HydrophobicContact CB-CG2 4.36Å
507P93.4Very high95.1Very high77 Ų7734 Ų3450%0.520%0.203SC..  trans-54.9142.1171.9-23.733.2000111A482 A509 T510 V511A482-P507 WeakPolarHBondContact O-CD 3.5Å; P507-A509 PolarHBondContact O-N 3.28Å; P507-A509 VanDerWaalsContact O-N 3.09Å; P507-T510 WeakPolarHBondContact O-CA 3.46Å; P507-T510 VanDerWaalsContact O-CB 3.23Å; P507-T510 WeakPolarHBondContact O-CB 3.38Å; P507-T510 PolarHBondContact O-N 3.1Å; P507-V511 PolarHBondContact O-N 2.87Å
508L92.8Very high95Very high56 Ų5633.6 Ų33.629%0.29320%0.2SC..Hα-helixtrans-53.2-36.8-179.3-174.863.3000112.7A506 T510 V511 E512 D540 I544A506-L508 PolarHBondContact O-N 2.9Å; L508-T510 VanDerWaalsContact C-N 3.26Å; L508-T510 PolarHBondContact O-N 3.12Å; L508-V511 WeakPolarHBondContact O-CB 3.27Å; L508-V511 PolarHBondContact O-N 3Å; L508-V511 VanDerWaalsContact O-N 3.09Å; L508-E512 WeakPolarHBondContact O-CB 3.29Å; L508-E512 PolarHBondContact O-N 3.37Å; L508-D540 HydrophobicContact CD1-CB 4.02Å; L508-D540 HydrophobicContact CD2-CB 3.98Å; L508-I544 HydrophobicContact CD1-CD1 3.81Å; L508-I544 HydrophobicContact CD1-CG2 4.5Å
509A92.9Very high94.7Very high56 Ų5637 Ų3746%0.46321%0.214SC..Hα-helixtrans-61.6-30.5175.800000113.6P507 K513P507-A509 PolarHBondContact O-N 3.28Å; P507-A509 VanDerWaalsContact O-N 3.09Å; A509-K513 WeakPolarHBondContact O-CB 3.3Å; A509-K513 WeakPolarHBondContact O-CG 3.37Å; A509-K513 PolarHBondContact O-N 3.49Å
510T95Very high94.3Very high11 Ų1146 Ų467%0.06725%0.248CC..Hα-helixtrans-70.2-43.7173-61.50000110.3V481 A506 P507 L508 G514V481-T510 HydrophobicContact CG1-CG2 4.39Å; A506-T510 HydrophobicContact CB-CG2 4.32Å; P507-T510 WeakPolarHBondContact O-CA 3.46Å; P507-T510 VanDerWaalsContact O-CB 3.23Å; P507-T510 WeakPolarHBondContact O-CB 3.38Å; P507-T510 PolarHBondContact O-N 3.1Å; L508-T510 VanDerWaalsContact C-N 3.26Å; L508-T510 PolarHBondContact O-N 3.12Å; T510-G514 PolarHBondContact O-N 3.49Å
511V96.5Very high93.9Very high1 Ų149.1 Ų49.11%0.00627%0.269CS..Hα-helixtrans-61.5-48.7177.3-172.30000110.6I502 A506 P507 L508 K513 G514 H515 I527 I544 V546I502-V511 HydrophobicContact CG2-CG2 4.06Å; A506-V511 HydrophobicContact CB-CG2 4.36Å; P507-V511 PolarHBondContact O-N 2.87Å; L508-V511 WeakPolarHBondContact O-CB 3.27Å; L508-V511 PolarHBondContact O-N 3Å; L508-V511 VanDerWaalsContact O-N 3.09Å; V511-K513 PolarHBondContact O-N 3.01Å; V511-G514 PolarHBondContact O-N 3.43Å; V511-H515 WeakPolarHBondContact O-CB 3.28Å; V511-H515 PolarHBondContact O-N 2.7Å; V511-I527 HydrophobicContact CG1-CD1 3.6Å; V511-I527 HydrophobicContact CG2-CD1 4.38Å; V511-I544 HydrophobicContact CB-CD1 3.92Å; V511-I544 HydrophobicContact CG1-CD1 3.59Å; V511-V546 HydrophobicContact CG1-CG2 3.86Å
512E94.3Very high93.4Very high106 Ų10652.5 Ų52.550%0.49530%0.304SS..Hα-helixtrans-57.5-49179.8-174.7-179.4-163.900111.8L508 G514 H515 A516 I544L508-E512 WeakPolarHBondContact O-CB 3.29Å; L508-E512 PolarHBondContact O-N 3.37Å; E512-G514 PolarHBondContact O-N 3.41Å; E512-H515 PolarHBondContact O-N 3.23Å; E512-A516 WeakPolarHBondContact O-CB 3.33Å; E512-A516 PolarHBondContact O-N 2.9Å; E512-I544 HydrophobicContact CB-CD1 4.13Å
513K95.7Very high93.2Very high122 Ų12253 Ų5353%0.5331%0.309SS..Hα-helixtrans-63.9-39.8177.1-78.7-175-179.1-176.10113.1E486 A509 V511 M517E486-K513 HydrophobicContact CB-CB 4.06Å; A509-K513 WeakPolarHBondContact O-CB 3.3Å; A509-K513 WeakPolarHBondContact O-CG 3.37Å; A509-K513 PolarHBondContact O-N 3.49Å; V511-K513 PolarHBondContact O-N 3.01Å; K513-M517 PolarHBondContact O-N 3.5Å
514G95.2Very high93.2Very high0 Ų054.4 Ų54.40%032%0.315CS..Hα-helixtrans-64.4-44.4174.600000112.1T510 V511 E512 M517 A518T510-G514 PolarHBondContact O-N 3.49Å; V511-G514 PolarHBondContact O-N 3.43Å; E512-G514 PolarHBondContact O-N 3.41Å; G514-M517 PolarHBondContact O-N 2.95Å; G514-A518 PolarHBondContact O-N 3.41Å
515H95.2Very high93.4Very high16 Ų1654 Ų547%0.07431%0.312CS..Hα-helixtrans-65.3-45.6179.6-176.664.7000112.4V511 E512 M517 A518 Q519 I525 I544 G545 V546V511-H515 WeakPolarHBondContact O-CB 3.28Å; V511-H515 PolarHBondContact O-N 2.7Å; E512-H515 PolarHBondContact O-N 3.23Å; H515-M517 VanDerWaalsContact C-N 3.27Å; H515-M517 PolarHBondContact O-N 3.41Å; H515-A518 WeakPolarHBondContact O-CB 3.47Å; H515-A518 PolarHBondContact O-N 2.93Å; H515-A518 VanDerWaalsContact O-N 3.09Å; H515-Q519 PolarHBondContact NE2-NE2 2.78Å; H515-Q519 PolarHBondContact O-N 3.22Å; H515-I525 HydrophobicContact CB-CG1 4.26Å; H515-I544 PolarHBondContact CD2-O 3.28Å; H515-G545 PolarHBondContact CE1-O 3.06Å; H515-G545 WeakPolarHBondContact NE2-CA 3.48Å; H515-G545 PolarHBondContact NE2-O 2.89Å; H515-V546 HydrophobicContact CB-CG2 4.06Å
516A93.1Very high93.7Very high47 Ų4750.3 Ų50.339%0.38828%0.281SS..Hα-helixtrans-58.9-39.1176.800000112.1E512 R520E512-A516 WeakPolarHBondContact O-CB 3.33Å; E512-A516 PolarHBondContact O-N 2.9Å; A516-R520 WeakPolarHBondContact O-CG 3.23Å; A516-R520 PolarHBondContact O-N 3.11Å
517M96Very high93.8Very high13 Ų1350 Ų506%0.06428%0.279CS..Hα-helixtrans-70-39.8174.5-174.756.566.700112.1E486 A489 Q490 K513 G514 H515 Q519 R520 C521E486-M517 HydrophobicContact CG-CB 4.34Å; E486-M517 HydrophobicContact CG-CE 3.6Å; A489-M517 HydrophobicContact CB-CB 3.76Å; A489-M517 HydrophobicContact CB-CG 3.76Å; Q490-M517 HydrophobicContact CB-CE 4.49Å; Q490-M517 HydrophobicContact CB-CG 4.08Å; Q490-M517 HydrophobicContact CB-SD 4.21Å; Q490-M517 HydrophobicContact CG-SD 4.47Å; K513-M517 PolarHBondContact O-N 3.5Å; G514-M517 PolarHBondContact O-N 2.95Å; H515-M517 VanDerWaalsContact C-N 3.27Å; H515-M517 PolarHBondContact O-N 3.41Å; M517-Q519 PolarHBondContact O-N 3.05Å; M517-R520 PolarHBondContact O-N 2.94Å; M517-C521 PolarHBondContact O-N 3.28Å; M517-C521 VanDerWaalsContact O-N 3.13Å
518A94.5Very high93.9Very high0 Ų046.9 Ų46.90%026%0.257CS..Hα-helixtrans-56.7-48.7175.100000111.6F493 G514 H515 R520 C521 G522 G523 I525F493-A518 HydrophobicContact CD2-CB 4.33Å; F493-A518 HydrophobicContact CE2-CB 3.36Å; F493-A518 HydrophobicContact CZ-CB 3.48Å; F493-A518 VanDerWaalsContact CZ-CB 3.48Å; G514-A518 PolarHBondContact O-N 3.41Å; H515-A518 WeakPolarHBondContact O-CB 3.47Å; H515-A518 PolarHBondContact O-N 2.93Å; H515-A518 VanDerWaalsContact O-N 3.09Å; A518-R520 VanDerWaalsContact C-N 3.32Å; A518-R520 PolarHBondContact O-N 3.18Å; A518-C521 CarbonylContact O-C 3.53Å; A518-C521 PolarHBondContact O-N 2.9Å; A518-G522 PolarHBondContact O-N 2.87Å; A518-G523 CarbonylContact C-O 3.46Å; A518-G523 WeakPolarHBondContact CB-O 3.37Å; A518-G523 PolarHBondContact O-N 2.53Å; A518-I525 HydrophobicContact CB-CD1 4.07Å; A518-I525 HydrophobicContact CB-CG1 3.92Å
519Q90.4Very high93.9Very high125 Ų12544.5 Ų44.558%0.58425%0.245SC*.Hα-helixtrans-57.3-43.5176.7-71.6-176.2-32.200112.3H515 M517 C521 G522H515-Q519 PolarHBondContact NE2-NE2 2.78Å; H515-Q519 PolarHBondContact O-N 3.22Å; M517-Q519 PolarHBondContact O-N 3.05Å; Q519-C521 PolarHBondContact O-N 3.39Å; Q519-G522 PolarHBondContact O-N 3.44Å; Q519-G522 VanDerWaalsContact O-N 3.15Å
520R90.1Very high93.2Very high196 Ų19647.6 Ų47.674%0.7425%0.248SC*.Hα-helixtrans-62.6-28.6177.2-72.1176.467.5176.92.1113.3A516 M517 A518A516-R520 WeakPolarHBondContact O-CG 3.23Å; A516-R520 PolarHBondContact O-N 3.11Å; M517-R520 PolarHBondContact O-N 2.94Å; A518-R520 VanDerWaalsContact C-N 3.32Å; A518-R520 PolarHBondContact O-N 3.18Å
521C89.1Confident92.4Very high66 Ų6649.5 Ų49.545%0.44627%0.27SS..Hα-helixtrans-95.90.1178.6-66.30000113.6F493 M517 A518 Q519 G523F493-C521 HydrophobicContact CB-CB 3.63Å; F493-C521 HydrophobicContact CD2-CB 4.16Å; F493-C521 HydrophobicContact CG-CB 3.99Å; M517-C521 PolarHBondContact O-N 3.28Å; M517-C521 VanDerWaalsContact O-N 3.13Å; A518-C521 CarbonylContact O-C 3.53Å; A518-C521 PolarHBondContact O-N 2.9Å; Q519-C521 PolarHBondContact O-N 3.39Å; C521-G523 VanDerWaalsContact C-N 3.27Å; C521-G523 PolarHBondContact O-N 3.19Å
522G86.6Confident91.7Very high71 Ų7157.2 Ų57.273%0.73231%0.311SS*.THydrogen-bonded Turntrans67.625.9-173.500000113.8A518 Q519A518-G522 PolarHBondContact O-N 2.87Å; Q519-G522 PolarHBondContact O-N 3.44Å; Q519-G522 VanDerWaalsContact O-N 3.15Å
523G92.2Very high91.5Very high11 Ų1154 Ų5411%0.11330%0.295CS..  trans-108.9177.5176.300000113N498 A518 C521N498-G523 CarbonylContact O-C 3.58Å; N498-G523 WeakPolarHBondContact O-CA 3.43Å; A518-G523 CarbonylContact C-O 3.46Å; A518-G523 WeakPolarHBondContact CB-O 3.37Å; A518-G523 PolarHBondContact O-N 2.53Å; C521-G523 VanDerWaalsContact C-N 3.27Å; C521-G523 PolarHBondContact O-N 3.19Å
524E95.6Very high91.2Very high72 Ų7251.6 Ų51.634%0.33629%0.29SS..EExtended strand (participates in β ladder)trans-130.4154.4-178.3-56.2176.6-108.300112.6N498 W499 M500 Q548N498-E524 PolarHBondContact O-N 3.33Å; W499-E524 VanDerWaalsContact CA-O 3.28Å; W499-E524 WeakPolarHBondContact CA-O 3.39Å; W499-E524 HydrophobicContact CG-CB 4.45Å; W499-E524 PolarHBondContact NE1-OE1 3.21Å; M500-E524 PolarHBondContact N-O 3.06Å; E524-Q548 PolarHBondContact OE1-NE2 3.25Å; E524-Q548 PolarHBondContact OE2-NE2 3.48Å
525I97.3Very high90.9Very high3 Ų354.1 Ų54.12%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-104.2134.8174.8-64-57.6000109.1F493 M500 I502 H515 A518 I527F493-I525 HydrophobicContact CE2-CD1 4.43Å; F493-I525 HydrophobicContact CZ-CD1 4.16Å; M500-I525 HydrophobicContact CB-CD1 4.17Å; M500-I525 HydrophobicContact CE-CD1 3.53Å; M500-I525 WeakPolarHBondContact O-CA 3.41Å; I502-I525 HydrophobicContact CB-CG2 4.18Å; I502-I525 HydrophobicContact CD1-CD1 4.06Å; I502-I525 HydrophobicContact CD1-CG1 4.34Å; I502-I525 HydrophobicContact CD1-CG2 3.7Å; I502-I525 HydrophobicContact CG1-CD1 4.34Å; I502-I525 HydrophobicContact CG1-CG2 3.74Å; H515-I525 HydrophobicContact CB-CG1 4.26Å; A518-I525 HydrophobicContact CB-CD1 4.07Å; A518-I525 HydrophobicContact CB-CG1 3.92Å; I525-I527 HydrophobicContact CG2-CD1 3.91Å
526Q97.5Very high90.5Very high0 Ų058 Ų580%033%0.325CS..EExtended strand (participates in β ladder)trans-109.8123.7170-58.8-175.9-59.500109.5W499 M500 T501 I502 E528 Q548 I550 S583W499-Q526 HydrophobicContact CB-CG 4.44Å; W499-Q526 VanDerWaalsContact CE3-NE2 3.28Å; M500-Q526 PolarHBondContact O-N 3.27Å; T501-Q526 WeakPolarHBondContact CA-O 3.49Å; T501-Q526 HydrophobicContact CG2-CB 4.35Å; I502-Q526 PolarHBondContact N-O 3.47Å; Q526-E528 PolarHBondContact O-N 3.46Å; Q526-Q548 HydrophobicContact CB-CB 4.37Å; Q526-Q548 HydrophobicContact CG-CB 3.85Å; Q526-I550 HydrophobicContact CB-CD1 3.93Å; Q526-I550 HydrophobicContact CB-CG1 4.09Å; Q526-S583 PolarHBondContact NE2-OG 3.32Å
527I97.2Very high90.4Very high1 Ų158.7 Ų58.71%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-83.5115.1174.1-51.2-58000109.4I502 C504 V511 I525 L529 W541 V546 Q548 A549 I550I502-I527 HydrophobicContact CB-CD1 4.21Å; I502-I527 CarbonylContact O-C 3.56Å; I502-I527 WeakPolarHBondContact O-CA 3.44Å; C504-I527 HydrophobicContact CB-CG2 3.78Å; V511-I527 HydrophobicContact CG1-CD1 3.6Å; V511-I527 HydrophobicContact CG2-CD1 4.38Å; I525-I527 HydrophobicContact CG2-CD1 3.91Å; I527-L529 HydrophobicContact CG2-CD2 4.02Å; I527-L529 PolarHBondContact O-N 3.43Å; I527-W541 HydrophobicContact CB-CD2 4.35Å; I527-W541 HydrophobicContact CB-CE3 4.07Å; I527-W541 HydrophobicContact CB-CZ3 4.38Å; I527-W541 HydrophobicContact CD1-CG 4.5Å; I527-W541 HydrophobicContact CG1-CB 4.38Å; I527-W541 HydrophobicContact CG1-CD2 3.92Å; I527-W541 HydrophobicContact CG1-CE3 4Å; I527-W541 HydrophobicContact CG1-CG 4.08Å; I527-W541 HydrophobicContact CG2-CD2 3.96Å; I527-W541 HydrophobicContact CG2-CE3 3.81Å; I527-W541 HydrophobicContact CG2-CH2 3.81Å; I527-W541 HydrophobicContact CG2-CZ2 3.88Å; I527-W541 HydrophobicContact CG2-CZ3 3.78Å; I527-V546 HydrophobicContact CD1-CG1 4.23Å; I527-V546 HydrophobicContact CG1-CG1 3.85Å; I527-Q548 PolarHBondContact N-O 2.89Å; I527-A549 HydrophobicContact CB-CB 4.47Å; I527-A549 CarbonylContact O-C 3.59Å; I527-A549 WeakPolarHBondContact O-CA 3.41Å; I527-I550 PolarHBondContact O-N 2.95Å
528E94.6Very high90.2Very high11 Ų1158.1 Ų58.15%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-83113.5176.6-168168.6174.400111.1K480 I502 C504 Q526 F530 I550 H552K480-E528 VanDerWaalsContact CE-CD 3.41Å; K480-E528 WeakPolarHBondContact CE-OE1 3.49Å; K480-E528 WeakPolarHBondContact CE-OE2 3.25Å; K480-E528 WeakPolarHBondContact CG-OE2 3.42Å; K480-E528 IonicContact NZ-OE1 3.49Å; K480-E528 PolarHBondContact NZ-OE1 3.2Å; K480-E528 IonicContact NZ-OE2 3.54Å; K480-E528 PolarHBondContact NZ-OE2 3.34Å; I502-E528 PolarHBondContact O-N 2.83Å; C504-E528 WeakPolarHBondContact CB-O 3.29Å; C504-E528 PolarHBondContact N-O 2.62Å; C504-E528 PolarHBondContact SG-O 3Å; Q526-E528 PolarHBondContact O-N 3.46Å; E528-F530 PolarHBondContact O-N 3.38Å; E528-I550 HydrophobicContact CB-CB 4.43Å; E528-I550 HydrophobicContact CB-CD1 4.38Å; E528-I550 HydrophobicContact CG-CB 4.2Å; E528-I550 HydrophobicContact CG-CG2 4.33Å; E528-H552 IonicContact OE1-ND1 2.97Å
529L92.1Very high90Very high6 Ų664.3 Ų64.33%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-84.7103.5-175.4-53.6179.6000109.5C504 I527 W533 W541 A549 I550 Y551 L575C504-L529 HydrophobicContact CB-CD2 4.11Å; I527-L529 HydrophobicContact CG2-CD2 4.02Å; I527-L529 PolarHBondContact O-N 3.43Å; L529-W533 HydrophobicContact CD1-CH2 4.41Å; L529-W533 HydrophobicContact CD1-CZ2 4.06Å; L529-W533 HydrophobicContact CD2-CD2 4.32Å; L529-W533 HydrophobicContact CD2-CG 4.46Å; L529-W541 HydrophobicContact CD2-CE3 4.4Å; L529-W541 HydrophobicContact CD2-CH2 3.58Å; L529-W541 HydrophobicContact CD2-CZ3 3.32Å; L529-A549 HydrophobicContact CD1-CB 4Å; L529-A549 HydrophobicContact CD2-CB 4.4Å; L529-A549 HydrophobicContact CG-CB 4.15Å; L529-I550 VanDerWaalsContact CB-O 3.28Å; L529-I550 WeakPolarHBondContact CB-O 3.34Å; L529-I550 WeakPolarHBondContact CG-O 3.37Å; L529-I550 PolarHBondContact N-O 3.02Å; L529-Y551 HydrophobicContact CD1-CD2 4.11Å; L529-L575 HydrophobicContact CD1-CD1 3.42Å; L529-L575 VanDerWaalsContact CD1-CD1 3.42Å; L529-L575 HydrophobicContact CD1-CD2 4.44Å
530F78.7Confident90Very high121 Ų12160.8 Ų60.853%0.53133%0.327SS..  trans-141.6136.8176-171.8-95.1000111.6C504 E528C504-F530 PolarHBondContact SG-N 3.14Å; C504-F530 VanDerWaalsContact SG-N 3.37Å; C504-F530 PolarHBondContact SG-O 3.18Å; E528-F530 PolarHBondContact O-N 3.38Å
531G78.6Confident90.2Very high51 Ų5151.7 Ų51.753%0.52629%0.293SS..SBendtrans74.1-131.4-18000000112.6
532N81.4Confident90.3Very high164 Ų16451 Ų5188%0.87728%0.284SS*.SBendtrans-93.5120.1-173.8-65.5-21.1000110.8
533W90.5Very high90.3Very high39 Ų3955.6 Ų55.615%0.14828%0.279CS..  trans-151.2160.4169.358.5-88.6000107.9C504 L529 L535 W541 Y551 R571 L575C504-W533 HydrophobicContact CB-CB 4.38Å; L529-W533 HydrophobicContact CD1-CH2 4.41Å; L529-W533 HydrophobicContact CD1-CZ2 4.06Å; L529-W533 HydrophobicContact CD2-CD2 4.32Å; L529-W533 HydrophobicContact CD2-CG 4.46Å; W533-L535 HydrophobicContact CZ3-CD2 4.21Å; W533-W541 HydrophobicContact CB-CH2 4.16Å; W533-Y551 HydrophobicContact CZ2-CE2 4.11Å; W533-R571 HydrophobicContact CH2-CB 4.5Å; W533-L575 HydrophobicContact CH2-CD1 3.72Å; W533-L575 HydrophobicContact CH2-CD2 4.02Å; W533-L575 HydrophobicContact CH2-CG 4.02Å; W533-L575 HydrophobicContact CZ2-CD1 4.31Å; W533-L575 HydrophobicContact CZ3-CD1 4.35Å; W533-L575 HydrophobicContact CZ3-CD2 3.79Å; W533-L575 HydrophobicContact CZ3-CG 4.27Å
534T89.7Confident90.1Very high71 Ų7156.5 Ų56.544%0.43628%0.28SS..  trans-122.6163.4-17966.80000110.8D536 D537 A538T534-D536 PolarHBondContact O-N 3.1Å; T534-D536 PolarHBondContact OG1-N 2.88Å; T534-D537 PolarHBondContact N-OD2 3.45Å; T534-D537 WeakPolarHBondContact O-CB 3.32Å; T534-D537 PolarHBondContact O-N 2.73Å; T534-D537 VanDerWaalsContact OG1-CG 3.23Å; T534-D537 PolarHBondContact OG1-N 3.18Å; T534-D537 PolarHBondContact OG1-OD2 3.15Å; T534-A538 PolarHBondContact O-N 3.47Å
535L88.2Confident89.8Confident52 Ų5253.8 Ų53.827%0.27227%0.272SS..Hα-helixtrans-65.2-22.8173.2-69.4170.3000112.1W533 A538 R539 A574 L575 I578W533-L535 HydrophobicContact CZ3-CD2 4.21Å; L535-A538 PolarHBondContact O-N 3.28Å; L535-R539 WeakPolarHBondContact O-CG 3.37Å; L535-R539 PolarHBondContact O-N 3.33Å; L535-A574 HydrophobicContact CD1-CB 4.02Å; L535-A574 HydrophobicContact CD2-CB 3.72Å; L535-L575 HydrophobicContact CD2-CD2 4.39Å; L535-I578 HydrophobicContact CB-CD1 4.29Å; L535-I578 HydrophobicContact CD2-CD1 3.78Å
536D87.1Confident89.6Confident99 Ų9953.7 Ų53.753%0.52927%0.272SS..Hα-helixtrans-70.2-39.9173.4-66.4-29.5000111.4T534 A538 R539 D540T534-D536 PolarHBondContact O-N 3.1Å; T534-D536 PolarHBondContact OG1-N 2.88Å; D536-A538 VanDerWaalsContact C-N 3.26Å; D536-A538 PolarHBondContact O-N 3.49Å; D536-R539 PolarHBondContact O-N 2.95Å; D536-R539 IonicContact OD1-CZ 3.47Å; D536-R539 IonicContact OD1-NH1 3.51Å; D536-R539 PolarHBondContact OD1-NH1 3.42Å; D536-D540 PolarHBondContact O-N 3.2Å
537D92.1Very high89.4Confident61 Ų6158.5 Ų58.533%0.32629%0.29SS..Hα-helixtrans-58.7-41.9171-56.8-53.8000110.8T534 D540 W541T534-D537 PolarHBondContact N-OD2 3.45Å; T534-D537 WeakPolarHBondContact O-CB 3.32Å; T534-D537 PolarHBondContact O-N 2.73Å; T534-D537 VanDerWaalsContact OG1-CG 3.23Å; T534-D537 PolarHBondContact OG1-N 3.18Å; T534-D537 PolarHBondContact OG1-OD2 3.15Å; D537-D540 WeakPolarHBondContact O-CB 3.46Å; D537-D540 PolarHBondContact O-N 3.48Å; D537-W541 HydrophobicContact CB-CH2 4.01Å; D537-W541 HydrophobicContact CB-CZ2 3.65Å; D537-W541 PolarHBondContact O-N 2.75Å
538A91.7Very high89.4Confident0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-64.5-41.1177.200000113.3T534 L535 D536 D540 W541 H542 L575 I578 L580T534-A538 PolarHBondContact O-N 3.47Å; L535-A538 PolarHBondContact O-N 3.28Å; D536-A538 VanDerWaalsContact C-N 3.26Å; D536-A538 PolarHBondContact O-N 3.49Å; A538-D540 VanDerWaalsContact C-N 3.31Å; A538-W541 VanDerWaalsContact CA-CE3 3.47Å; A538-W541 HydrophobicContact CB-CE3 4.09Å; A538-W541 HydrophobicContact CB-CZ3 4.03Å; A538-W541 PolarHBondContact O-N 3.24Å; A538-H542 WeakPolarHBondContact O-CB 3.32Å; A538-H542 PolarHBondContact O-N 2.99Å; A538-L575 HydrophobicContact CB-CD2 3.53Å; A538-I578 HydrophobicContact CB-CD1 3.99Å; A538-L580 HydrophobicContact CB-CD1 4.09Å
539R88.9Confident89.5Confident131 Ų13157.9 Ų57.949%0.49429%0.287SS..Hα-helixtrans-63-38.9172.7-72.7173.6-174.2128.10.8111.3L535 D536 H542 R543 I578L535-R539 WeakPolarHBondContact O-CG 3.37Å; L535-R539 PolarHBondContact O-N 3.33Å; D536-R539 PolarHBondContact O-N 2.95Å; D536-R539 IonicContact OD1-CZ 3.47Å; D536-R539 IonicContact OD1-NH1 3.51Å; D536-R539 PolarHBondContact OD1-NH1 3.42Å; R539-H542 PolarHBondContact O-N 3.21Å; R539-R543 VanDerWaalsContact O-CB 3.23Å; R539-R543 WeakPolarHBondContact O-CB 3.23Å; R539-R543 PolarHBondContact O-N 2.65Å; R539-I578 HydrophobicContact CG-CD1 4.02Å; R539-I578 HydrophobicContact CG-CG1 4.16Å; R539-I578 HydrophobicContact CG-CG2 4.26Å
540D91.3Very high89.6Confident50 Ų5057.8 Ų57.827%0.26729%0.286SS..Hα-helixtrans-63.3-44.4176-83.5-14.5000112.2L508 D536 D537 A538 R543 I544L508-D540 HydrophobicContact CD1-CB 4.02Å; L508-D540 HydrophobicContact CD2-CB 3.98Å; D536-D540 PolarHBondContact O-N 3.2Å; D537-D540 WeakPolarHBondContact O-CB 3.46Å; D537-D540 PolarHBondContact O-N 3.48Å; A538-D540 VanDerWaalsContact C-N 3.31Å; D540-R543 PolarHBondContact O-N 2.94Å; D540-R543 IonicContact OD1-CZ 2.97Å; D540-R543 IonicContact OD1-NE 3.05Å; D540-R543 IonicContact OD1-NH2 2.98Å; D540-R543 PolarHBondContact OD1-NH2 3.24Å; D540-R543 IonicContact OD2-NH2 3.89Å; D540-I544 PolarHBondContact O-N 3.49Å; D540-I544 VanDerWaalsContact O-N 3.16Å
541W94.7Very high90.3Very high6 Ų652.7 Ų52.72%0.02326%0.264CS..Hα-helixtrans-62.6-43.8174.4-53.2-30.7000112C504 I527 L529 W533 D537 A538 R543 I544 G545 V546C504-W541 HydrophobicContact CB-CH2 3.64Å; C504-W541 HydrophobicContact CB-CZ2 3.76Å; I527-W541 HydrophobicContact CB-CD2 4.35Å; I527-W541 HydrophobicContact CB-CE3 4.07Å; I527-W541 HydrophobicContact CB-CZ3 4.38Å; I527-W541 HydrophobicContact CD1-CG 4.5Å; I527-W541 HydrophobicContact CG1-CB 4.38Å; I527-W541 HydrophobicContact CG1-CD2 3.92Å; I527-W541 HydrophobicContact CG1-CE3 4Å; I527-W541 HydrophobicContact CG1-CG 4.08Å; I527-W541 HydrophobicContact CG2-CD2 3.96Å; I527-W541 HydrophobicContact CG2-CE3 3.81Å; I527-W541 HydrophobicContact CG2-CH2 3.81Å; I527-W541 HydrophobicContact CG2-CZ2 3.88Å; I527-W541 HydrophobicContact CG2-CZ3 3.78Å; L529-W541 HydrophobicContact CD2-CE3 4.4Å; L529-W541 HydrophobicContact CD2-CH2 3.58Å; L529-W541 HydrophobicContact CD2-CZ3 3.32Å; W533-W541 HydrophobicContact CB-CH2 4.16Å; D537-W541 HydrophobicContact CB-CH2 4.01Å; D537-W541 HydrophobicContact CB-CZ2 3.65Å; D537-W541 PolarHBondContact O-N 2.75Å; A538-W541 VanDerWaalsContact CA-CE3 3.47Å; A538-W541 HydrophobicContact CB-CE3 4.09Å; A538-W541 HydrophobicContact CB-CZ3 4.03Å; A538-W541 PolarHBondContact O-N 3.24Å; W541-R543 VanDerWaalsContact C-N 3.34Å; W541-R543 PolarHBondContact O-N 3.49Å; W541-I544 WeakPolarHBondContact O-CG1 3.39Å; W541-I544 PolarHBondContact O-N 3.11Å; W541-G545 PolarHBondContact O-N 3.31Å; W541-V546 HydrophobicContact CB-CB 4.24Å; W541-V546 WeakPolarHBondContact O-CB 3.17Å; W541-V546 PolarHBondContact O-N 3.33Å
542H90.1Very high90.6Very high52 Ų5252.6 Ų52.624%0.24125%0.249CC..Hα-helixtrans-62.6-42.8177.1-175.1-98.6000111.4A538 R539 I544 G545 V546 R547 I578 L580A538-H542 WeakPolarHBondContact O-CB 3.32Å; A538-H542 PolarHBondContact O-N 2.99Å; R539-H542 PolarHBondContact O-N 3.21Å; H542-I544 VanDerWaalsContact C-N 3.32Å; H542-I544 PolarHBondContact O-N 2.86Å; H542-G545 PolarHBondContact O-N 2.95Å; H542-V546 WeakPolarHBondContact CA-O 3.49Å; H542-R547 PolarHBondContact CD2-NH1 2.8Å; H542-R547 PolarHBondContact O-NH1 3.4Å; H542-I578 HydrophobicContact CB-CG2 3.84Å; H542-I578 PolarHBondContact CE1-O 2.91Å; H542-L580 HydrophobicContact CB-CD2 4.43Å
543R87Confident90.5Very high167 Ų16746.2 Ų46.263%0.6321%0.213SC*.Hα-helixtrans-59.5-38.8178.3-179.1173.659.6155.6-1.7112.9R539 D540 W541 G545R539-R543 VanDerWaalsContact O-CB 3.23Å; R539-R543 WeakPolarHBondContact O-CB 3.23Å; R539-R543 PolarHBondContact O-N 2.65Å; D540-R543 PolarHBondContact O-N 2.94Å; D540-R543 IonicContact OD1-CZ 2.97Å; D540-R543 IonicContact OD1-NE 3.05Å; D540-R543 IonicContact OD1-NH2 2.98Å; D540-R543 PolarHBondContact OD1-NH2 3.24Å; D540-R543 IonicContact OD2-NH2 3.89Å; W541-R543 VanDerWaalsContact C-N 3.34Å; W541-R543 PolarHBondContact O-N 3.49Å; R543-G545 PolarHBondContact O-N 2.99Å
544I88.8Confident89.2Confident29 Ų2945.1 Ų45.115%0.14921%0.214CC..THydrogen-bonded Turntrans-79.60177.763.6167.8000114.1L508 V511 E512 H515 D540 W541 H542 V546L508-I544 HydrophobicContact CD1-CD1 3.81Å; L508-I544 HydrophobicContact CD1-CG2 4.5Å; V511-I544 HydrophobicContact CB-CD1 3.92Å; V511-I544 HydrophobicContact CG1-CD1 3.59Å; E512-I544 HydrophobicContact CB-CD1 4.13Å; H515-I544 PolarHBondContact CD2-O 3.28Å; D540-I544 PolarHBondContact O-N 3.49Å; D540-I544 VanDerWaalsContact O-N 3.16Å; W541-I544 WeakPolarHBondContact O-CG1 3.39Å; W541-I544 PolarHBondContact O-N 3.11Å; H542-I544 VanDerWaalsContact C-N 3.32Å; H542-I544 PolarHBondContact O-N 2.86Å; I544-V546 HydrophobicContact CD1-CG2 4.21Å; I544-V546 HydrophobicContact CG1-CG2 4.24Å
545G87.9Confident87.7Confident16 Ų1647.4 Ų47.417%0.16522%0.215CC..THydrogen-bonded Turntrans106.7-4.417500000115.6H515 W541 H542 R543 R547H515-G545 PolarHBondContact CE1-O 3.06Å; H515-G545 WeakPolarHBondContact NE2-CA 3.48Å; H515-G545 PolarHBondContact NE2-O 2.89Å; W541-G545 PolarHBondContact O-N 3.31Å; H542-G545 PolarHBondContact O-N 2.95Å; R543-G545 PolarHBondContact O-N 2.99Å; G545-R547 VanDerWaalsContact CA-NH1 3.25Å; G545-R547 PolarHBondContact O-NH1 3.49Å
546V93.5Very high86.3Confident0 Ų051.8 Ų51.80%024%0.239CC..  trans-70.1135.4175.9-1780000109.9V511 H515 I527 W541 H542 I544V511-V546 HydrophobicContact CG1-CG2 3.86Å; H515-V546 HydrophobicContact CB-CG2 4.06Å; I527-V546 HydrophobicContact CD1-CG1 4.23Å; I527-V546 HydrophobicContact CG1-CG1 3.85Å; W541-V546 HydrophobicContact CB-CB 4.24Å; W541-V546 WeakPolarHBondContact O-CB 3.17Å; W541-V546 PolarHBondContact O-N 3.33Å; H542-V546 WeakPolarHBondContact CA-O 3.49Å; I544-V546 HydrophobicContact CD1-CG2 4.21Å; I544-V546 HydrophobicContact CG1-CG2 4.24Å
547R93.6Very high84.9Confident101 Ų10148.4 Ų48.438%0.38122%0.224SC..  trans-120.6-10.2-177-62.5-65.7172.9-92.74.3114H542 G545 L580 E581H542-R547 PolarHBondContact CD2-NH1 2.8Å; H542-R547 PolarHBondContact O-NH1 3.4Å; G545-R547 VanDerWaalsContact CA-NH1 3.25Å; G545-R547 PolarHBondContact O-NH1 3.49Å; R547-L580 CarbonylContact O-C 3.47Å; R547-L580 WeakPolarHBondContact O-CA 3.25Å; R547-E581 PolarHBondContact O-N 3.44Å
548Q96.8Very high83.3Confident0 Ų049.2 Ų49.20%023%0.226CC..EExtended strand (participates in β ladder)trans-118.4139.6-176.8-62.2-166.547.200112.3E524 Q526 I527 E581E524-Q548 PolarHBondContact OE1-NE2 3.25Å; E524-Q548 PolarHBondContact OE2-NE2 3.48Å; Q526-Q548 HydrophobicContact CB-CB 4.37Å; Q526-Q548 HydrophobicContact CG-CB 3.85Å; I527-Q548 PolarHBondContact N-O 2.89Å; Q548-E581 WeakPolarHBondContact CA-O 3.48Å
549A96.4Very high81.7Confident0 Ų053.5 Ų53.50%026%0.261CS..EExtended strand (participates in β ladder)trans-135.2149.4169.300000110.9I527 L529 L580 E581 L582 S583I527-A549 HydrophobicContact CB-CB 4.47Å; I527-A549 CarbonylContact O-C 3.59Å; I527-A549 WeakPolarHBondContact O-CA 3.41Å; L529-A549 HydrophobicContact CD1-CB 4Å; L529-A549 HydrophobicContact CD2-CB 4.4Å; L529-A549 HydrophobicContact CG-CB 4.15Å; A549-L580 HydrophobicContact CB-CD1 4.39Å; A549-E581 PolarHBondContact N-O 3.13Å; A549-E581 VanDerWaalsContact N-O 3.07Å; A549-L582 HydrophobicContact CB-CD2 3.9Å; A549-L582 CarbonylContact O-C 3.59Å; A549-L582 WeakPolarHBondContact O-CA 3.23Å; A549-S583 PolarHBondContact O-N 2.74Å
550I95.5Very high80.3Confident4 Ų451.5 Ų51.52%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-102.2119.3174.4-60.2161000107.7T501 Q526 I527 E528 L529 S583 T585 I605T501-I550 HydrophobicContact CG2-CD1 3.52Å; Q526-I550 HydrophobicContact CB-CD1 3.93Å; Q526-I550 HydrophobicContact CB-CG1 4.09Å; I527-I550 PolarHBondContact O-N 2.95Å; E528-I550 HydrophobicContact CB-CB 4.43Å; E528-I550 HydrophobicContact CB-CD1 4.38Å; E528-I550 HydrophobicContact CG-CB 4.2Å; E528-I550 HydrophobicContact CG-CG2 4.33Å; L529-I550 VanDerWaalsContact CB-O 3.28Å; L529-I550 WeakPolarHBondContact CB-O 3.34Å; L529-I550 WeakPolarHBondContact CG-O 3.37Å; L529-I550 PolarHBondContact N-O 3.02Å; I550-S583 CarbonylContact C-O 3.52Å; I550-S583 VanDerWaalsContact CA-O 3.27Å; I550-S583 WeakPolarHBondContact CA-O 3.45Å; I550-T585 HydrophobicContact CG2-CG2 3.81Å; I550-I605 HydrophobicContact CG1-CD1 4.42Å; I550-I605 HydrophobicContact CG2-CD1 4.02Å
551Y92.7Very high78.9Confident14 Ų1452 Ų526%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-96.8113.9172.1-161.5-74.9000109.3L529 W533 W564 D568 R571 M572 L575 S583 T585L529-Y551 HydrophobicContact CD1-CD2 4.11Å; W533-Y551 HydrophobicContact CZ2-CE2 4.11Å; Y551-W564 HydrophobicContact CD1-CZ3 4.31Å; Y551-W564 HydrophobicContact CE1-CZ3 4.36Å; Y551-D568 HydrophobicContact CE1-CB 4.34Å; Y551-D568 PolarHBondContact OH-OD1 3.45Å; Y551-R571 HydrophobicContact CE2-CB 4.06Å; Y551-M572 HydrophobicContact CD1-CE 3.2Å; Y551-M572 HydrophobicContact CD1-CG 4.31Å; Y551-M572 HydrophobicContact CD2-CE 4.37Å; Y551-M572 HydrophobicContact CD2-CG 3.79Å; Y551-M572 HydrophobicContact CE1-CE 3.59Å; Y551-M572 HydrophobicContact CE2-CG 4.06Å; Y551-M572 HydrophobicContact CG-CE 3.64Å; Y551-M572 HydrophobicContact CG-CG 3.92Å; Y551-L575 HydrophobicContact CD2-CD1 4.09Å; Y551-S583 PolarHBondContact N-O 3.44Å; Y551-T585 PolarHBondContact O-N 2.9Å
552H85.1Confident77.3Confident48 Ų4857 Ų5722%0.22231%0.308CS..EExtended strand (participates in β ladder)trans-114.4119.3-173.7-172.9176.7000111.5E528 G554 T585E528-H552 IonicContact OE1-ND1 2.97Å; H552-G554 PolarHBondContact O-N 2.71Å; H552-T585 WeakPolarHBondContact CA-O 3.33Å; H552-T585 HydrophobicContact CB-CG2 3.6Å
553R78.3Confident76.6Confident30 Ų3062.4 Ų62.411%0.11333%0.333CS..  trans-76.4106.2163.3-172.4179.565.7-179.2-10.2109.6Q562 W564 T585 G586R553-Q562 PolarHBondContact NH1-O 2.92Å; R553-W564 HydrophobicContact CB-CH2 3.87Å; R553-W564 HydrophobicContact CB-CZ2 4.4Å; R553-W564 HydrophobicContact CB-CZ3 4.05Å; R553-T585 PolarHBondContact N-O 3.05Å; R553-G586 PolarHBondContact NE-O 3.16Å; R553-G586 VanDerWaalsContact NE-O 3.13Å; R553-G586 PolarHBondContact NH2-O 2.73Å; R553-G586 WeakPolarHBondContact O-CA 2.98Å
554G64.3Low76.2Confident17 Ų1755.7 Ų55.718%0.17531%0.308CS..  trans-53.9147.2-173.800000114.7H552 D556 A557 Q558H552-G554 PolarHBondContact O-N 2.71Å; G554-D556 VanDerWaalsContact C-N 3.29Å; G554-D556 PolarHBondContact O-N 3.2Å; G554-A557 WeakPolarHBondContact O-CB 3.39Å; G554-A557 PolarHBondContact O-N 3.4Å; G554-A557 VanDerWaalsContact O-N 3.13Å; G554-Q558 PolarHBondContact O-N 2.65Å; G554-Q558 VanDerWaalsContact O-N 3.08Å
555R58.3Low75.6Confident119 Ų11955.7 Ų55.745%0.44932%0.315SS..Hα-helixtrans-55.9-37.7-176.5-72.3-179179-178.20.9113.7D427 Q558 A559D427-R555 IonicContact OD2-NH2 3.4Å; D427-R555 PolarHBondContact OD2-NH2 3.2Å; R555-Q558 WeakPolarHBondContact O-CB 3.35Å; R555-Q558 PolarHBondContact O-N 3.35Å; R555-A559 PolarHBondContact O-N 2.83Å
556D58.8Low75.1Confident144 Ų14463.2 Ų63.277%0.7735%0.346SS*.Hα-helixtrans-71.5-34.8-179.6-63.4-33.7000112.4G554 Q558 A559 S560G554-D556 VanDerWaalsContact C-N 3.29Å; G554-D556 PolarHBondContact O-N 3.2Å; D556-Q558 VanDerWaalsContact C-N 3.33Å; D556-A559 PolarHBondContact O-N 3.16Å; D556-S560 PolarHBondContact O-N 3.37Å
557A57.1Low74.5Confident27 Ų2766.6 Ų66.622%0.22337%0.374CS..Hα-helixtrans-68.7-34172.700000111.6G554 S560 Q562G554-A557 WeakPolarHBondContact O-CB 3.39Å; G554-A557 PolarHBondContact O-N 3.4Å; G554-A557 VanDerWaalsContact O-N 3.13Å; A557-S560 PolarHBondContact O-OG 3.34Å; A557-Q562 VanDerWaalsContact O-CB 3.29Å; A557-Q562 WeakPolarHBondContact O-CB 3.26Å; A557-Q562 PolarHBondContact O-N 2.89Å; A557-Q562 VanDerWaalsContact O-N 3.15Å
558Q58.1Low74.1Confident78 Ų7863.4 Ų63.436%0.36436%0.364SS..Hα-helixtrans-66.6-43.5171.1-168.1-172.40.400111.3G554 R555 D556 S560 G561G554-Q558 PolarHBondContact O-N 2.65Å; G554-Q558 VanDerWaalsContact O-N 3.08Å; R555-Q558 WeakPolarHBondContact O-CB 3.35Å; R555-Q558 PolarHBondContact O-N 3.35Å; D556-Q558 VanDerWaalsContact C-N 3.33Å; Q558-S560 PolarHBondContact O-N 3.04Å; Q558-G561 PolarHBondContact O-N 3.48Å
559A57.6Low73.6Confident90 Ų9065.4 Ų65.474%0.74438%0.375SS*.Hα-helixtrans-65.4-25.8179.400000113.1R555 D556 G561R555-A559 PolarHBondContact O-N 2.83Å; D556-A559 PolarHBondContact O-N 3.16Å; A559-G561 VanDerWaalsContact C-N 3.3Å
560S59.4Low73.1Confident90 Ų9068 Ų6863%0.62940%0.396SS*.THydrogen-bonded Turntrans-82.1-2.9173.268.10000114.1D556 A557 Q558D556-S560 PolarHBondContact O-N 3.37Å; A557-S560 PolarHBondContact O-OG 3.34Å; Q558-S560 PolarHBondContact O-N 3.04Å
561G62.8Low72.8Confident59 Ų5974.4 Ų74.461%0.60842%0.42SS*.THydrogen-bonded Turntrans83.714.9177.700000115Q558 A559 Q563Q558-G561 PolarHBondContact O-N 3.48Å; A559-G561 VanDerWaalsContact C-N 3.3Å; G561-Q563 PolarHBondContact O-N 3.47Å
562Q62.1Low72.7Confident113 Ų11373.7 Ų73.753%0.52842%0.418SS..PPolyproline II helixtrans-70.1119.5-178.6-162.8175.1-7.300111.3R553 A557R553-Q562 PolarHBondContact NH1-O 2.92Å; A557-Q562 VanDerWaalsContact O-CB 3.29Å; A557-Q562 WeakPolarHBondContact O-CB 3.26Å; A557-Q562 PolarHBondContact O-N 2.89Å; A557-Q562 VanDerWaalsContact O-N 3.15Å
563Q73.4Confident72.9Confident165 Ų16575.1 Ų75.177%0.77142%0.423SS*.PPolyproline II helixtrans-81.1165174.6-67.1-172.6-20.200111.6G561 G565G561-Q563 PolarHBondContact O-N 3.47Å; Q563-G565 PolarHBondContact O-N 3Å
564W79.5Confident73.3Confident25 Ų2574.6 Ų74.610%0.09543%0.425CS..PPolyproline II helixtrans-58117.7172.3-64.5109.3000109.8Y551 R553 D568 M572 I584 L595 F596Y551-W564 HydrophobicContact CD1-CZ3 4.31Å; Y551-W564 HydrophobicContact CE1-CZ3 4.36Å; R553-W564 HydrophobicContact CB-CH2 3.87Å; R553-W564 HydrophobicContact CB-CZ2 4.4Å; R553-W564 HydrophobicContact CB-CZ3 4.05Å; W564-D568 HydrophobicContact CE3-CB 4.27Å; W564-M572 HydrophobicContact CE3-CE 3.98Å; W564-M572 HydrophobicContact CH2-CE 4.06Å; W564-M572 HydrophobicContact CZ3-CE 3.37Å; W564-I584 HydrophobicContact CH2-CG2 3.68Å; W564-I584 HydrophobicContact CZ2-CG2 4Å; W564-I584 HydrophobicContact CZ3-CG2 4.48Å; W564-L595 HydrophobicContact CB-CD1 3.95Å; W564-L595 HydrophobicContact CG-CD1 4.19Å; W564-F596 HydrophobicContact CD2-CE1 4.26Å; W564-F596 AromaticContact CD2-CZ 3.77Å; W564-F596 HydrophobicContact CD2-CZ 3.77Å; W564-F596 AromaticContact CE2-CZ 3.66Å; W564-F596 HydrophobicContact CE3-CE1 4.24Å; W564-F596 HydrophobicContact CE3-CZ 4.15Å; W564-F596 HydrophobicContact CG-CZ 4.16Å; W564-F596 HydrophobicContact CH2-CZ 4.33Å; W564-F596 AromaticContact CZ2-CZ 3.96Å; W564-F596 HydrophobicContact CZ2-CZ 3.96Å; W564-F596 HydrophobicContact CZ3-CE1 4.5Å; W564-F596 HydrophobicContact CZ3-CZ 4.42Å; W564-F596 AromaticContact NE1-CZ 3.95Å
565G76.5Confident74.6Confident29 Ų2973.8 Ų73.830%0.29942%0.417SS..PPolyproline II helixtrans-99.5166.7-178.400000113.2Q563 A567 D568 L569Q563-G565 PolarHBondContact O-N 3Å; G565-A567 PolarHBondContact O-N 3.41Å; G565-D568 PolarHBondContact N-OD2 3.4Å; G565-D568 PolarHBondContact O-N 3.06Å; G565-D568 VanDerWaalsContact O-N 3.09Å; G565-L569 PolarHBondContact O-N 2.85Å
566E77.2Confident76Confident174 Ų17468.3 Ų68.381%0.81340%0.397SS*.Hα-helixtrans-56.3-34.4173.6-73.2-176.4162.700112.5D568 L569 A570E566-D568 VanDerWaalsContact C-N 3.35Å; E566-D568 PolarHBondContact O-N 3.28Å; E566-L569 PolarHBondContact O-N 2.84Å; E566-A570 VanDerWaalsContact O-CB 3.29Å; E566-A570 WeakPolarHBondContact O-CB 3.4Å; E566-A570 PolarHBondContact O-N 2.83Å
567A80.5Confident77.1Confident72 Ų7266.4 Ų66.460%0.59539%0.387SS*.Hα-helixtrans-64.8-36.2177.400000113G565 R571G565-A567 PolarHBondContact O-N 3.41Å; A567-R571 WeakPolarHBondContact O-CG 3.37Å; A567-R571 PolarHBondContact O-N 3.43Å; A567-R571 VanDerWaalsContact O-N 3.15Å
568D85.5Confident78.3Confident33 Ų3366.4 Ų66.418%0.17638%0.383CS..Hα-helixtrans-68.3-46.6175.6-68.1-60.1000110.6Y551 W564 G565 E566 A570 R571 M572Y551-D568 HydrophobicContact CE1-CB 4.34Å; Y551-D568 PolarHBondContact OH-OD1 3.45Å; W564-D568 HydrophobicContact CE3-CB 4.27Å; G565-D568 PolarHBondContact N-OD2 3.4Å; G565-D568 PolarHBondContact O-N 3.06Å; G565-D568 VanDerWaalsContact O-N 3.09Å; E566-D568 VanDerWaalsContact C-N 3.35Å; E566-D568 PolarHBondContact O-N 3.28Å; D568-A570 PolarHBondContact O-N 3.35Å; D568-R571 PolarHBondContact O-N 2.84Å; D568-M572 WeakPolarHBondContact O-CG 3.43Å; D568-M572 PolarHBondContact O-N 3.28Å
569L87.5Confident79.5Confident42 Ų4263.4 Ų63.422%0.2237%0.372CS..Hα-helixtrans-63.3-41.2179.5-62.9177.3000111.7G565 E566 R571 M572 K573 L595 F596G565-L569 PolarHBondContact O-N 2.85Å; E566-L569 PolarHBondContact O-N 2.84Å; L569-R571 PolarHBondContact O-N 3.02Å; L569-M572 PolarHBondContact O-N 2.94Å; L569-K573 WeakPolarHBondContact O-CB 3.3Å; L569-K573 PolarHBondContact O-N 2.94Å; L569-L595 HydrophobicContact CD2-CB 4.32Å; L569-F596 HydrophobicContact CD2-CD1 3.8Å; L569-F596 HydrophobicContact CD2-CE1 3.77Å
570A85.1Confident81.2Confident55 Ų5559.1 Ų59.146%0.45534%0.337SS..Hα-helixtrans-61.9-42.8175.500000111.9E566 D568 K573 A574E566-A570 VanDerWaalsContact O-CB 3.29Å; E566-A570 WeakPolarHBondContact O-CB 3.4Å; E566-A570 PolarHBondContact O-N 2.83Å; D568-A570 PolarHBondContact O-N 3.35Å; A570-K573 PolarHBondContact O-N 3.07Å; A570-A574 PolarHBondContact O-N 3.39Å
571R88.8Confident82.8Confident138 Ų13857 Ų5752%0.52132%0.317SS..Hα-helixtrans-65.1-44.1176.1-76.5179.6178.2-165-2.4112.4W533 Y551 A567 D568 L569 K573 A574 L575W533-R571 HydrophobicContact CH2-CB 4.5Å; Y551-R571 HydrophobicContact CE2-CB 4.06Å; A567-R571 WeakPolarHBondContact O-CG 3.37Å; A567-R571 PolarHBondContact O-N 3.43Å; A567-R571 VanDerWaalsContact O-N 3.15Å; D568-R571 PolarHBondContact O-N 2.84Å; L569-R571 PolarHBondContact O-N 3.02Å; R571-K573 VanDerWaalsContact C-N 3.28Å; R571-K573 PolarHBondContact O-N 3.03Å; R571-A574 PolarHBondContact O-N 2.83Å; R571-L575 WeakPolarHBondContact O-CG 3.11Å; R571-L575 PolarHBondContact O-N 2.89Å
572M91.9Very high84.3Confident0 Ų054.1 Ų54.10%029%0.288CS..Hα-helixtrans-60.6-40.3174.7-71.1-177.9-166.600111.5Y551 W564 D568 L569 L575 S576 L582 I584 F596 I599Y551-M572 HydrophobicContact CD1-CE 3.2Å; Y551-M572 HydrophobicContact CD1-CG 4.31Å; Y551-M572 HydrophobicContact CD2-CE 4.37Å; Y551-M572 HydrophobicContact CD2-CG 3.79Å; Y551-M572 HydrophobicContact CE1-CE 3.59Å; Y551-M572 HydrophobicContact CE2-CG 4.06Å; Y551-M572 HydrophobicContact CG-CE 3.64Å; Y551-M572 HydrophobicContact CG-CG 3.92Å; W564-M572 HydrophobicContact CE3-CE 3.98Å; W564-M572 HydrophobicContact CH2-CE 4.06Å; W564-M572 HydrophobicContact CZ3-CE 3.37Å; D568-M572 WeakPolarHBondContact O-CG 3.43Å; D568-M572 PolarHBondContact O-N 3.28Å; L569-M572 PolarHBondContact O-N 2.94Å; M572-L575 PolarHBondContact O-N 3.38Å; M572-S576 WeakPolarHBondContact O-CB 3.2Å; M572-S576 PolarHBondContact O-N 2.97Å; M572-L582 HydrophobicContact CB-CD1 3.62Å; M572-L582 HydrophobicContact CG-CD1 3.8Å; M572-I584 HydrophobicContact CE-CD1 4.47Å; M572-I584 HydrophobicContact CE-CG2 4.19Å; M572-I584 HydrophobicContact SD-CD1 3.9Å; M572-I584 HydrophobicContact SD-CG1 4.41Å; M572-F596 HydrophobicContact CE-CD1 4.42Å; M572-F596 HydrophobicContact CE-CE1 3.82Å; M572-F596 HydrophobicContact SD-CD1 3.71Å; M572-F596 HydrophobicContact SD-CE1 3.69Å; M572-I599 HydrophobicContact CB-CD1 3.82Å; M572-I599 HydrophobicContact CB-CG1 4.2Å; M572-I599 HydrophobicContact CB-CG2 4.07Å
573K87.5Confident86Confident78 Ų7848.8 Ų48.834%0.33926%0.263SS..Hα-helixtrans-64.6-44.6178.4-172.763173.470.30111.1L569 A570 R571 L575 S576 D577 D598 I599L569-K573 WeakPolarHBondContact O-CB 3.3Å; L569-K573 PolarHBondContact O-N 2.94Å; A570-K573 PolarHBondContact O-N 3.07Å; R571-K573 VanDerWaalsContact C-N 3.28Å; R571-K573 PolarHBondContact O-N 3.03Å; K573-L575 VanDerWaalsContact C-N 3.32Å; K573-L575 PolarHBondContact O-N 2.83Å; K573-S576 WeakPolarHBondContact O-CB 3.32Å; K573-S576 PolarHBondContact O-N 3.05Å; K573-S576 VanDerWaalsContact O-N 3.16Å; K573-D577 IonicContact NZ-OD1 2.67Å; K573-D577 PolarHBondContact NZ-OD1 2.86Å; K573-D577 IonicContact NZ-OD2 2.84Å; K573-D577 PolarHBondContact NZ-OD2 3.49Å; K573-D577 WeakPolarHBondContact O-CB 3.37Å; K573-D577 PolarHBondContact O-N 3.09Å; K573-D598 VanDerWaalsContact CD-O 3.31Å; K573-D598 WeakPolarHBondContact CD-O 3.32Å; K573-I599 HydrophobicContact CB-CD1 3.78Å; K573-I599 HydrophobicContact CD-CD1 4.04Å
574A87.9Confident86.9Confident19 Ų1940.9 Ų40.916%0.15723%0.226CC..Hα-helixtrans-59.6-40.7175.600000112.5L535 A570 R571 D577 I578L535-A574 HydrophobicContact CD1-CB 4.02Å; L535-A574 HydrophobicContact CD2-CB 3.72Å; A570-A574 PolarHBondContact O-N 3.39Å; R571-A574 PolarHBondContact O-N 2.83Å; A574-D577 PolarHBondContact O-N 2.93Å; A574-I578 WeakPolarHBondContact O-CG1 3.48Å; A574-I578 PolarHBondContact O-N 3.49Å
575L91.4Very high87.5Confident0 Ų040.9 Ų40.90%023%0.229CC..Hα-helixtrans-65.4-41.9174.3-68.6165.8000112.5L529 W533 L535 A538 Y551 R571 M572 K573 D577 I578 G579 L580 L582L529-L575 HydrophobicContact CD1-CD1 3.42Å; L529-L575 VanDerWaalsContact CD1-CD1 3.42Å; L529-L575 HydrophobicContact CD1-CD2 4.44Å; W533-L575 HydrophobicContact CH2-CD1 3.72Å; W533-L575 HydrophobicContact CH2-CD2 4.02Å; W533-L575 HydrophobicContact CH2-CG 4.02Å; W533-L575 HydrophobicContact CZ2-CD1 4.31Å; W533-L575 HydrophobicContact CZ3-CD1 4.35Å; W533-L575 HydrophobicContact CZ3-CD2 3.79Å; W533-L575 HydrophobicContact CZ3-CG 4.27Å; L535-L575 HydrophobicContact CD2-CD2 4.39Å; A538-L575 HydrophobicContact CB-CD2 3.53Å; Y551-L575 HydrophobicContact CD2-CD1 4.09Å; R571-L575 WeakPolarHBondContact O-CG 3.11Å; R571-L575 PolarHBondContact O-N 2.89Å; M572-L575 PolarHBondContact O-N 3.38Å; K573-L575 VanDerWaalsContact C-N 3.32Å; K573-L575 PolarHBondContact O-N 2.83Å; L575-D577 VanDerWaalsContact C-N 3.26Å; L575-D577 PolarHBondContact O-N 2.82Å; L575-I578 WeakPolarHBondContact O-CB 2.97Å; L575-I578 PolarHBondContact O-N 3.15Å; L575-G579 PolarHBondContact O-N 3.39Å; L575-L580 HydrophobicContact CD2-CD1 3.89Å; L575-L580 PolarHBondContact O-N 3.46Å; L575-L580 VanDerWaalsContact O-N 3.1Å; L575-L582 HydrophobicContact CB-CD1 4.23Å; L575-L582 HydrophobicContact CB-CD2 4.02Å; L575-L582 HydrophobicContact CD1-CD1 4.28Å; L575-L582 HydrophobicContact CD1-CD2 4.05Å
576S87.9Confident87.8Confident4 Ų439.7 Ų39.73%0.02822%0.216CC..Hα-helixtrans-60.5-37.9175.21770000111.6M572 K573 G579 R600M572-S576 WeakPolarHBondContact O-CB 3.2Å; M572-S576 PolarHBondContact O-N 2.97Å; K573-S576 WeakPolarHBondContact O-CB 3.32Å; K573-S576 PolarHBondContact O-N 3.05Å; K573-S576 VanDerWaalsContact O-N 3.16Å; S576-G579 WeakPolarHBondContact O-CA 3.44Å; S576-G579 PolarHBondContact O-N 3.04Å; S576-G579 VanDerWaalsContact O-N 3.08Å; S576-R600 VanDerWaalsContact OG-CB 3.31Å; S576-R600 WeakPolarHBondContact OG-CB 3.44Å; S576-R600 WeakPolarHBondContact OG-CG 3.44Å; S576-R600 PolarHBondContact OG-N 3.28Å; S576-R600 VanDerWaalsContact OG-N 3.08Å
577D80.9Confident88Confident103 Ų10333 Ų3355%0.55119%0.194SC*.Hα-helixtrans-75.1-28.4179.6-66.9-18.1000112.6K573 A574 L575 G579K573-D577 IonicContact NZ-OD1 2.67Å; K573-D577 PolarHBondContact NZ-OD1 2.86Å; K573-D577 IonicContact NZ-OD2 2.84Å; K573-D577 PolarHBondContact NZ-OD2 3.49Å; K573-D577 WeakPolarHBondContact O-CB 3.37Å; K573-D577 PolarHBondContact O-N 3.09Å; A574-D577 PolarHBondContact O-N 2.93Å; L575-D577 VanDerWaalsContact C-N 3.26Å; L575-D577 PolarHBondContact O-N 2.82Å; D577-G579 PolarHBondContact O-N 3.02Å
578I82.9Confident88.3Confident28 Ų2829.6 Ų29.614%0.14417%0.166CC..Hα-helixtrans-65.7-20.6166.5-68.7164.4000111.5L535 A538 R539 H542 A574 L575L535-I578 HydrophobicContact CB-CD1 4.29Å; L535-I578 HydrophobicContact CD2-CD1 3.78Å; A538-I578 HydrophobicContact CB-CD1 3.99Å; R539-I578 HydrophobicContact CG-CD1 4.02Å; R539-I578 HydrophobicContact CG-CG1 4.16Å; R539-I578 HydrophobicContact CG-CG2 4.26Å; H542-I578 HydrophobicContact CB-CG2 3.84Å; H542-I578 PolarHBondContact CE1-O 2.91Å; A574-I578 WeakPolarHBondContact O-CG1 3.48Å; A574-I578 PolarHBondContact O-N 3.49Å; L575-I578 WeakPolarHBondContact O-CB 2.97Å; L575-I578 PolarHBondContact O-N 3.15Å
579G83.6Confident88.4Confident14 Ų1431 Ų3114%0.14418%0.175CC..THydrogen-bonded Turntrans106.18.8179.300000114.8L575 S576 D577L575-G579 PolarHBondContact O-N 3.39Å; S576-G579 WeakPolarHBondContact O-CA 3.44Å; S576-G579 PolarHBondContact O-N 3.04Å; S576-G579 VanDerWaalsContact O-N 3.08Å; D577-G579 PolarHBondContact O-N 3.02Å
580L92.1Very high88.3Confident1 Ų130.3 Ų30.31%0.00517%0.174CC..PPolyproline II helixtrans-81.7135.8175.9-64.4171.5000111.3A538 H542 R547 A549 L575 L582A538-L580 HydrophobicContact CB-CD1 4.09Å; H542-L580 HydrophobicContact CB-CD2 4.43Å; R547-L580 CarbonylContact O-C 3.47Å; R547-L580 WeakPolarHBondContact O-CA 3.25Å; A549-L580 HydrophobicContact CB-CD1 4.39Å; L575-L580 HydrophobicContact CD2-CD1 3.89Å; L575-L580 PolarHBondContact O-N 3.46Å; L575-L580 VanDerWaalsContact O-N 3.1Å; L580-L582 HydrophobicContact CB-CD2 4.42Å
581E94Very high88.4Confident44 Ų4431.6 Ų31.621%0.20618%0.184CC..EExtended strand (participates in β ladder)trans-89.3131168.9-54.5179.511200109.7R547 Q548 A549 R600 K602R547-E581 PolarHBondContact O-N 3.44Å; Q548-E581 WeakPolarHBondContact CA-O 3.48Å; A549-E581 PolarHBondContact N-O 3.13Å; A549-E581 VanDerWaalsContact N-O 3.07Å; E581-R600 CarbonylContact C-O 3.47Å; E581-R600 WeakPolarHBondContact CA-O 3.21Å; E581-K602 HydrophobicContact CB-CB 3.88Å; E581-K602 HydrophobicContact CB-CD 4.27Å; E581-K602 HydrophobicContact CB-CG 4.47Å; E581-K602 IonicContact OE1-NZ 3.53Å; E581-K602 PolarHBondContact OE1-NZ 2.85Å; E581-K602 WeakPolarHBondContact OE2-CD 3.1Å; E581-K602 WeakPolarHBondContact OE2-CE 3.28Å; E581-K602 IonicContact OE2-NZ 2.97Å; E581-K602 PolarHBondContact OE2-NZ 3.08Å
582L95Very high88.5Confident0 Ų026.7 Ų26.70%017%0.168CC..EExtended strand (participates in β ladder)trans-102.7129.7-170-58.8-172.9000112.6A549 M572 L575 L580 I584 I599 R600 V601 K602A549-L582 HydrophobicContact CB-CD2 3.9Å; A549-L582 CarbonylContact O-C 3.59Å; A549-L582 WeakPolarHBondContact O-CA 3.23Å; M572-L582 HydrophobicContact CB-CD1 3.62Å; M572-L582 HydrophobicContact CG-CD1 3.8Å; L575-L582 HydrophobicContact CB-CD1 4.23Å; L575-L582 HydrophobicContact CB-CD2 4.02Å; L575-L582 HydrophobicContact CD1-CD1 4.28Å; L575-L582 HydrophobicContact CD1-CD2 4.05Å; L580-L582 HydrophobicContact CB-CD2 4.42Å; L582-I584 HydrophobicContact CB-CG1 4.36Å; L582-I599 HydrophobicContact CB-CG2 4.49Å; L582-I599 HydrophobicContact CD1-CG2 3.75Å; L582-I599 HydrophobicContact CG-CG2 4.35Å; L582-R600 PolarHBondContact N-O 3.26Å; L582-V601 CarbonylContact O-C 3.4Å; L582-V601 WeakPolarHBondContact O-CA 3.27Å; L582-V601 WeakPolarHBondContact O-CG1 3.27Å; L582-K602 PolarHBondContact O-N 2.85Å
583S96Very high88.4Confident0 Ų026.7 Ų26.70%017%0.168CC..EExtended strand (participates in β ladder)trans-94.7119.3163.3-62.20000109.5Q526 A549 I550 Y551 A603Q526-S583 PolarHBondContact NE2-OG 3.32Å; A549-S583 PolarHBondContact O-N 2.74Å; I550-S583 CarbonylContact C-O 3.52Å; I550-S583 VanDerWaalsContact CA-O 3.27Å; I550-S583 WeakPolarHBondContact CA-O 3.45Å; Y551-S583 PolarHBondContact N-O 3.44Å; S583-A603 CarbonylContact C-O 3.55Å; S583-A603 VanDerWaalsContact CA-O 3.22Å; S583-A603 WeakPolarHBondContact CA-O 3.44Å
584I93.9Very high88.5Confident0 Ų025.7 Ų25.70%017%0.17CC..EExtended strand (participates in β ladder)trans-103.2129.5-169.4-57.7175.8000110.1W564 M572 L582 I588 F596 V601 A603 F604 I605W564-I584 HydrophobicContact CH2-CG2 3.68Å; W564-I584 HydrophobicContact CZ2-CG2 4Å; W564-I584 HydrophobicContact CZ3-CG2 4.48Å; M572-I584 HydrophobicContact CE-CD1 4.47Å; M572-I584 HydrophobicContact CE-CG2 4.19Å; M572-I584 HydrophobicContact SD-CD1 3.9Å; M572-I584 HydrophobicContact SD-CG1 4.41Å; L582-I584 HydrophobicContact CB-CG1 4.36Å; I584-I588 HydrophobicContact CG2-CD1 4.12Å; I584-F596 HydrophobicContact CD1-CB 3.98Å; I584-F596 HydrophobicContact CD1-CD1 3.55Å; I584-F596 HydrophobicContact CD1-CD2 4.11Å; I584-F596 HydrophobicContact CD1-CE1 4.04Å; I584-F596 HydrophobicContact CD1-CG 3.59Å; I584-F596 HydrophobicContact CG2-CE1 4.26Å; I584-F596 HydrophobicContact CG2-CE2 4.31Å; I584-F596 HydrophobicContact CG2-CZ 4.01Å; I584-V601 HydrophobicContact CD1-CG1 4.16Å; I584-V601 HydrophobicContact CD1-CG2 3.7Å; I584-V601 HydrophobicContact CG1-CG1 4.4Å; I584-A603 PolarHBondContact N-O 2.93Å; I584-F604 HydrophobicContact CB-CD1 4.09Å; I584-F604 HydrophobicContact CB-CE1 4.22Å; I584-F604 HydrophobicContact CD1-CE1 4.09Å; I584-I605 PolarHBondContact O-N 3.42Å
585T91.2Very high88.5Confident24 Ų2428.6 Ų28.615%0.14718%0.183CC..EExtended strand (participates in β ladder)trans-144.4163.3-177.9-166.10000113.1I550 Y551 H552 R553 I605I550-T585 HydrophobicContact CG2-CG2 3.81Å; Y551-T585 PolarHBondContact O-N 2.9Å; H552-T585 WeakPolarHBondContact CA-O 3.33Å; H552-T585 HydrophobicContact CB-CG2 3.6Å; R553-T585 PolarHBondContact N-O 3.05Å; T585-I605 HydrophobicContact CG2-CD1 4.48Å
586G84Confident88.5Confident4 Ų428.6 Ų28.64%0.04118%0.183CC..SBendtrans120.856.2178.100000114.3R553R553-G586 PolarHBondContact NE-O 3.16Å; R553-G586 VanDerWaalsContact NE-O 3.13Å; R553-G586 PolarHBondContact NH2-O 2.73Å; R553-G586 WeakPolarHBondContact O-CA 2.98Å
587G79.4Confident88.4Confident33 Ų3333.7 Ų33.734%0.3420%0.204SC..SBendtrans74.234.3177.700000114
588I86.8Confident88.4Confident2 Ų233.5 Ų33.51%0.0120%0.203CC..  trans-70.6145.4177.3-162.7168000111.1I584 D592 L593 F596 F604 F623I584-I588 HydrophobicContact CG2-CD1 4.12Å; I588-D592 HydrophobicContact CG1-CB 3.84Å; I588-L593 HydrophobicContact CD1-CD1 3.9Å; I588-L593 HydrophobicContact CG1-CD1 4.1Å; I588-F596 HydrophobicContact CD1-CD2 4.34Å; I588-F596 HydrophobicContact CD1-CE2 3.69Å; I588-F596 HydrophobicContact CD1-CZ 4.47Å; I588-F596 HydrophobicContact CG1-CE2 4.5Å; I588-F604 HydrophobicContact CD1-CD1 3.36Å; I588-F604 HydrophobicContact CD1-CE1 3.67Å; I588-F604 HydrophobicContact CD1-CG 4.33Å; I588-F623 HydrophobicContact CG2-CE1 4.2Å; I588-F623 HydrophobicContact CG2-CZ 4.1Å
589T87.6Confident88.7Confident61 Ų6132.5 Ų32.537%0.37420%0.198SC..  trans-126162.3174.466.10000109.5A591 D592 L593T589-A591 PolarHBondContact O-N 3.42Å; T589-A591 VanDerWaalsContact O-N 3.09Å; T589-D592 PolarHBondContact N-OD2 2.96Å; T589-D592 WeakPolarHBondContact O-CB 3.18Å; T589-D592 PolarHBondContact O-N 3.44Å; T589-D592 PolarHBondContact OG1-OD2 2.88Å; T589-L593 WeakPolarHBondContact O-CD1 3.35Å
590P87.2Confident88.9Confident28 Ų2835.7 Ų35.718%0.18221%0.206CC..G310 helixtrans-51.6-34.8175.7-28.436000113.2D592 L593 D622 F623 Q626P590-D592 PolarHBondContact O-N 2.94Å; P590-L593 PolarHBondContact O-N 3.4Å; P590-D622 HydrophobicContact CB-CB 4.33Å; P590-D622 HydrophobicContact CG-CB 3.87Å; P590-F623 HydrophobicContact CG-CD1 4.33Å; P590-F623 HydrophobicContact CG-CD2 3.75Å; P590-F623 HydrophobicContact CG-CE1 4.48Å; P590-F623 HydrophobicContact CG-CE2 3.92Å; P590-F623 HydrophobicContact CG-CG 3.96Å; P590-F623 HydrophobicContact CG-CZ 4.29Å; P590-Q626 HydrophobicContact CB-CB 4.45Å; P590-Q626 WeakPolarHBondContact O-CG 3.36Å
591A86.8Confident88.9Confident82 Ų8235.8 Ų35.868%0.67821%0.206SC*.G310 helixtrans-66.1-19.5179.600000114.6T589 P594T589-A591 PolarHBondContact O-N 3.42Å; T589-A591 VanDerWaalsContact O-N 3.09Å; A591-P594 WeakPolarHBondContact O-CD 3.37Å
592D89.4Confident88.9Confident35 Ų3535.6 Ų35.619%0.18721%0.205CC..G310 helixtrans-83.5-22.5180-60.5-60.4000112.6I588 T589 P590 P594 L595 F596I588-D592 HydrophobicContact CG1-CB 3.84Å; T589-D592 PolarHBondContact N-OD2 2.96Å; T589-D592 WeakPolarHBondContact O-CB 3.18Å; T589-D592 PolarHBondContact O-N 3.44Å; T589-D592 PolarHBondContact OG1-OD2 2.88Å; P590-D592 PolarHBondContact O-N 2.94Å; D592-P594 VanDerWaalsContact C-CD 3.41Å; D592-L595 VanDerWaalsContact O-CB 3.25Å; D592-L595 WeakPolarHBondContact O-CB 3.37Å; D592-L595 WeakPolarHBondContact O-CG 3.33Å; D592-L595 PolarHBondContact O-N 3.28Å; D592-F596 HydrophobicContact CB-CE2 4.33Å; D592-F596 WeakPolarHBondContact O-CE2 3.18Å
593L91.2Very high89Confident0 Ų035.6 Ų35.60%021%0.205CC..G310 helixtrans-53.1-40.7-173.7-91.156000114.9I588 T589 P590 L595 F596 F604 F623 Q626 I627 I630 W631I588-L593 HydrophobicContact CD1-CD1 3.9Å; I588-L593 HydrophobicContact CG1-CD1 4.1Å; T589-L593 WeakPolarHBondContact O-CD1 3.35Å; P590-L593 PolarHBondContact O-N 3.4Å; L593-L595 PolarHBondContact O-N 3.05Å; L593-F596 PolarHBondContact O-N 2.96Å; L593-F604 HydrophobicContact CD1-CD1 4.24Å; L593-F604 HydrophobicContact CD1-CD2 4.37Å; L593-F604 HydrophobicContact CD1-CE1 4.19Å; L593-F604 HydrophobicContact CD1-CE2 4.34Å; L593-F604 HydrophobicContact CD1-CG 4.31Å; L593-F604 HydrophobicContact CD1-CZ 4.24Å; L593-F604 HydrophobicContact CD2-CD2 4.13Å; L593-F604 HydrophobicContact CD2-CE2 3.97Å; L593-F604 HydrophobicContact CD2-CZ 4.49Å; L593-F604 HydrophobicContact CG-CD2 4.07Å; L593-F604 HydrophobicContact CG-CE1 4.16Å; L593-F604 HydrophobicContact CG-CE2 3.67Å; L593-F604 HydrophobicContact CG-CG 4.48Å; L593-F604 HydrophobicContact CG-CZ 3.7Å; L593-F623 HydrophobicContact CD1-CD1 3.9Å; L593-F623 HydrophobicContact CD1-CE1 3.67Å; L593-F623 HydrophobicContact CD2-CD1 4.05Å; L593-Q626 HydrophobicContact CB-CG 3.86Å; L593-Q626 HydrophobicContact CD2-CB 3.92Å; L593-Q626 HydrophobicContact CD2-CG 4.06Å; L593-I627 HydrophobicContact CD2-CD1 4.46Å; L593-I627 HydrophobicContact CD2-CG1 3.54Å; L593-I630 HydrophobicContact CB-CD1 3.74Å; L593-W631 HydrophobicContact CB-CH2 4.42Å; L593-W631 HydrophobicContact CB-CZ3 4.19Å; L593-W631 HydrophobicContact CD2-CZ3 4.39Å; L593-W631 HydrophobicContact CG-CZ3 4.28Å; L593-W631 WeakPolarHBondContact O-CH2 3.36Å
594P88.8Confident89Confident58 Ų5835.6 Ų35.638%0.37721%0.205SC..G310 helixtrans-55.8-24176.8-27.635.3000115.1A591 D592 F596 I630A591-P594 WeakPolarHBondContact O-CD 3.37Å; D592-P594 VanDerWaalsContact C-CD 3.41Å; P594-F596 PolarHBondContact O-N 2.83Å; P594-I630 HydrophobicContact CB-CD1 4.35Å; P594-I630 HydrophobicContact CG-CD1 3.96Å
595L88.7Confident89Confident80 Ų8035.9 Ų35.942%0.41921%0.206SC..G310 helixtrans-65.7-24.5178.5-61173.3000112.4W564 L569 D592 L593W564-L595 HydrophobicContact CB-CD1 3.95Å; W564-L595 HydrophobicContact CG-CD1 4.19Å; L569-L595 HydrophobicContact CD2-CB 4.32Å; D592-L595 VanDerWaalsContact O-CB 3.25Å; D592-L595 WeakPolarHBondContact O-CB 3.37Å; D592-L595 WeakPolarHBondContact O-CG 3.33Å; D592-L595 PolarHBondContact O-N 3.28Å; L593-L595 PolarHBondContact O-N 3.05Å
596F91.7Very high88.9Confident0 Ų034.9 Ų34.90%020%0.201CC..G310 helixtrans-104.18.9-172.8-48.5-67000113.7W564 L569 M572 I584 I588 D592 L593 P594 D598 I599 V601 F604 W631W564-F596 HydrophobicContact CD2-CE1 4.26Å; W564-F596 AromaticContact CD2-CZ 3.77Å; W564-F596 HydrophobicContact CD2-CZ 3.77Å; W564-F596 AromaticContact CE2-CZ 3.66Å; W564-F596 HydrophobicContact CE3-CE1 4.24Å; W564-F596 HydrophobicContact CE3-CZ 4.15Å; W564-F596 HydrophobicContact CG-CZ 4.16Å; W564-F596 HydrophobicContact CH2-CZ 4.33Å; W564-F596 AromaticContact CZ2-CZ 3.96Å; W564-F596 HydrophobicContact CZ2-CZ 3.96Å; W564-F596 HydrophobicContact CZ3-CE1 4.5Å; W564-F596 HydrophobicContact CZ3-CZ 4.42Å; W564-F596 AromaticContact NE1-CZ 3.95Å; L569-F596 HydrophobicContact CD2-CD1 3.8Å; L569-F596 HydrophobicContact CD2-CE1 3.77Å; M572-F596 HydrophobicContact CE-CD1 4.42Å; M572-F596 HydrophobicContact CE-CE1 3.82Å; M572-F596 HydrophobicContact SD-CD1 3.71Å; M572-F596 HydrophobicContact SD-CE1 3.69Å; I584-F596 HydrophobicContact CD1-CB 3.98Å; I584-F596 HydrophobicContact CD1-CD1 3.55Å; I584-F596 HydrophobicContact CD1-CD2 4.11Å; I584-F596 HydrophobicContact CD1-CE1 4.04Å; I584-F596 HydrophobicContact CD1-CG 3.59Å; I584-F596 HydrophobicContact CG2-CE1 4.26Å; I584-F596 HydrophobicContact CG2-CE2 4.31Å; I584-F596 HydrophobicContact CG2-CZ 4.01Å; I588-F596 HydrophobicContact CD1-CD2 4.34Å; I588-F596 HydrophobicContact CD1-CE2 3.69Å; I588-F596 HydrophobicContact CD1-CZ 4.47Å; I588-F596 HydrophobicContact CG1-CE2 4.5Å; D592-F596 HydrophobicContact CB-CE2 4.33Å; D592-F596 WeakPolarHBondContact O-CE2 3.18Å; L593-F596 PolarHBondContact O-N 2.96Å; P594-F596 PolarHBondContact O-N 2.83Å; F596-D598 PolarHBondContact O-N 3.19Å; F596-I599 HydrophobicContact CB-CB 4.44Å; F596-I599 HydrophobicContact CB-CG1 4.35Å; F596-I599 WeakPolarHBondContact O-CB 3.23Å; F596-I599 PolarHBondContact O-N 2.9Å; F596-V601 HydrophobicContact CB-CG2 3.88Å; F596-F604 HydrophobicContact CB-CZ 4.49Å; F596-F604 AromaticContact CD2-CE1 3.74Å; F596-F604 HydrophobicContact CD2-CE1 3.74Å; F596-F604 HydrophobicContact CD2-CZ 4.2Å; F596-F604 HydrophobicContact CE2-CE1 4.34Å; F596-F604 HydrophobicContact CG-CE1 4.4Å; F596-W631 HydrophobicContact CB-CH2 4.46Å; F596-W631 HydrophobicContact CB-CZ2 4.43Å
597K84.1Confident89Confident111 Ų11135.5 Ų35.548%0.48321%0.207SC..THydrogen-bonded Turntrans-54.9-27.5-174.767.2175.2-173.1170.50114.4M417 I630M417-K597 VanDerWaalsContact CE-O 3.24Å; M417-K597 WeakPolarHBondContact CE-O 3.49Å; K597-I630 HydrophobicContact CB-CG2 3.75Å
598D81.9Confident88.9Confident99 Ų9942.7 Ų42.753%0.52922%0.224SC..THydrogen-bonded Turntrans-100.511.5-177.5-56.6-46.7000112.6K573 F596K573-D598 VanDerWaalsContact CD-O 3.31Å; K573-D598 WeakPolarHBondContact CD-O 3.32Å; F596-D598 PolarHBondContact O-N 3.19Å
599I88.4Confident88.5Confident7 Ų744.6 Ų44.64%0.03624%0.24CC..SBendtrans-109140.5179.7-52.4-58.1000109M572 K573 L582 F596 V601M572-I599 HydrophobicContact CB-CD1 3.82Å; M572-I599 HydrophobicContact CB-CG1 4.2Å; M572-I599 HydrophobicContact CB-CG2 4.07Å; K573-I599 HydrophobicContact CB-CD1 3.78Å; K573-I599 HydrophobicContact CD-CD1 4.04Å; L582-I599 HydrophobicContact CB-CG2 4.49Å; L582-I599 HydrophobicContact CD1-CG2 3.75Å; L582-I599 HydrophobicContact CG-CG2 4.35Å; F596-I599 HydrophobicContact CB-CB 4.44Å; F596-I599 HydrophobicContact CB-CG1 4.35Å; F596-I599 WeakPolarHBondContact O-CB 3.23Å; F596-I599 PolarHBondContact O-N 2.9Å; I599-V601 VanDerWaalsContact C-N 3.26Å; I599-V601 HydrophobicContact CB-CG2 4Å; I599-V601 HydrophobicContact CG2-CG2 4.07Å; I599-V601 PolarHBondContact O-N 3.1Å
600R87.5Confident88.3Confident80 Ų8041.7 Ų41.730%0.30222%0.222SC..  trans-6980.6169.4-74.2175.7-175.8-168.13110.8S576 E581 L582S576-R600 VanDerWaalsContact OG-CB 3.31Å; S576-R600 WeakPolarHBondContact OG-CB 3.44Å; S576-R600 WeakPolarHBondContact OG-CG 3.44Å; S576-R600 PolarHBondContact OG-N 3.28Å; S576-R600 VanDerWaalsContact OG-N 3.08Å; E581-R600 CarbonylContact C-O 3.47Å; E581-R600 WeakPolarHBondContact CA-O 3.21Å; L582-R600 PolarHBondContact N-O 3.26Å
601V93.6Very high87.8Confident3 Ų341.8 Ų41.82%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-84.5122.5-179.2-173.30000110.7P420 L582 I584 F596 I599 F604 W631P420-V601 HydrophobicContact CB-CB 4.29Å; P420-V601 HydrophobicContact CB-CG1 3.95Å; P420-V601 HydrophobicContact CG-CB 3.85Å; P420-V601 HydrophobicContact CG-CG1 4.05Å; L582-V601 CarbonylContact O-C 3.4Å; L582-V601 WeakPolarHBondContact O-CA 3.27Å; L582-V601 WeakPolarHBondContact O-CG1 3.27Å; I584-V601 HydrophobicContact CD1-CG1 4.16Å; I584-V601 HydrophobicContact CD1-CG2 3.7Å; I584-V601 HydrophobicContact CG1-CG1 4.4Å; F596-V601 HydrophobicContact CB-CG2 3.88Å; I599-V601 VanDerWaalsContact C-N 3.26Å; I599-V601 HydrophobicContact CB-CG2 4Å; I599-V601 HydrophobicContact CG2-CG2 4.07Å; I599-V601 PolarHBondContact O-N 3.1Å; V601-F604 HydrophobicContact CB-CZ 4.34Å; V601-F604 HydrophobicContact CG1-CD1 4.27Å; V601-F604 HydrophobicContact CG1-CD2 4.4Å; V601-F604 HydrophobicContact CG1-CE1 3.85Å; V601-F604 HydrophobicContact CG1-CE2 3.95Å; V601-F604 HydrophobicContact CG1-CZ 3.67Å; V601-F604 HydrophobicContact CG2-CZ 4.24Å; V601-W631 HydrophobicContact CG2-CZ2 4.21Å
602K94.3Very high87.3Confident40 Ų4040.9 Ų40.917%0.17422%0.224CC..EExtended strand (participates in β ladder)trans-81.9-47.8172.6-167.962.6162.2-156.70112.1P420 L421 W499 E581 L582P420-K602 WeakPolarHBondContact CA-O 3.35Å; L421-K602 PolarHBondContact N-O 3.28Å; W499-K602 HydrophobicContact CH2-CG 4.14Å; E581-K602 HydrophobicContact CB-CB 3.88Å; E581-K602 HydrophobicContact CB-CD 4.27Å; E581-K602 HydrophobicContact CB-CG 4.47Å; E581-K602 IonicContact OE1-NZ 3.53Å; E581-K602 PolarHBondContact OE1-NZ 2.85Å; E581-K602 WeakPolarHBondContact OE2-CD 3.1Å; E581-K602 WeakPolarHBondContact OE2-CE 3.28Å; E581-K602 IonicContact OE2-NZ 2.97Å; E581-K602 PolarHBondContact OE2-NZ 3.08Å; L582-K602 PolarHBondContact O-N 2.85Å
603A96Very high86.8Confident0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-153.3152.3-175.300000112.9L421 I447 S583 I584L421-A603 HydrophobicContact CB-CB 4.2Å; L421-A603 CarbonylContact O-C 3.58Å; L421-A603 WeakPolarHBondContact O-CA 3.31Å; I447-A603 HydrophobicContact CD1-CB 3.75Å; S583-A603 CarbonylContact C-O 3.55Å; S583-A603 VanDerWaalsContact CA-O 3.22Å; S583-A603 WeakPolarHBondContact CA-O 3.44Å; I584-A603 PolarHBondContact N-O 2.93Å
604F95.6Very high86.3Confident0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-104.3121.6166.1-67.9-66000109.2P420 L421 Q423 I584 I588 L593 F596 V601 I627 W631P420-F604 HydrophobicContact CB-CD2 3.87Å; P420-F604 HydrophobicContact CB-CE2 3.68Å; P420-F604 HydrophobicContact CG-CE2 3.98Å; L421-F604 PolarHBondContact O-N 2.86Å; Q423-F604 PolarHBondContact N-O 3.11Å; I584-F604 HydrophobicContact CB-CD1 4.09Å; I584-F604 HydrophobicContact CB-CE1 4.22Å; I584-F604 HydrophobicContact CD1-CE1 4.09Å; I588-F604 HydrophobicContact CD1-CD1 3.36Å; I588-F604 HydrophobicContact CD1-CE1 3.67Å; I588-F604 HydrophobicContact CD1-CG 4.33Å; L593-F604 HydrophobicContact CD1-CD1 4.24Å; L593-F604 HydrophobicContact CD1-CD2 4.37Å; L593-F604 HydrophobicContact CD1-CE1 4.19Å; L593-F604 HydrophobicContact CD1-CE2 4.34Å; L593-F604 HydrophobicContact CD1-CG 4.31Å; L593-F604 HydrophobicContact CD1-CZ 4.24Å; L593-F604 HydrophobicContact CD2-CD2 4.13Å; L593-F604 HydrophobicContact CD2-CE2 3.97Å; L593-F604 HydrophobicContact CD2-CZ 4.49Å; L593-F604 HydrophobicContact CG-CD2 4.07Å; L593-F604 HydrophobicContact CG-CE1 4.16Å; L593-F604 HydrophobicContact CG-CE2 3.67Å; L593-F604 HydrophobicContact CG-CG 4.48Å; L593-F604 HydrophobicContact CG-CZ 3.7Å; F596-F604 HydrophobicContact CB-CZ 4.49Å; F596-F604 AromaticContact CD2-CE1 3.74Å; F596-F604 HydrophobicContact CD2-CE1 3.74Å; F596-F604 HydrophobicContact CD2-CZ 4.2Å; F596-F604 HydrophobicContact CE2-CE1 4.34Å; F596-F604 HydrophobicContact CG-CE1 4.4Å; V601-F604 HydrophobicContact CB-CZ 4.34Å; V601-F604 HydrophobicContact CG1-CD1 4.27Å; V601-F604 HydrophobicContact CG1-CD2 4.4Å; V601-F604 HydrophobicContact CG1-CE1 3.85Å; V601-F604 HydrophobicContact CG1-CE2 3.95Å; V601-F604 HydrophobicContact CG1-CZ 3.67Å; V601-F604 HydrophobicContact CG2-CZ 4.24Å; F604-I627 HydrophobicContact CD2-CD1 3.93Å; F604-I627 HydrophobicContact CD2-CG1 4Å; F604-I627 HydrophobicContact CE2-CG1 4.14Å; F604-W631 HydrophobicContact CE2-CE3 4.45Å; F604-W631 AromaticContact CE2-CH2 3.79Å; F604-W631 HydrophobicContact CE2-CH2 3.79Å; F604-W631 AromaticContact CE2-CZ3 3.68Å; F604-W631 HydrophobicContact CE2-CZ3 3.68Å; F604-W631 AromaticContact CZ-CH2 3.53Å; F604-W631 HydrophobicContact CZ-CH2 3.53Å; F604-W631 HydrophobicContact CZ-CZ2 4.28Å; F604-W631 AromaticContact CZ-CZ3 3.92Å; F604-W631 HydrophobicContact CZ-CZ3 3.92Å
605I94.3Very high86.2Confident6 Ų648 Ų483%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-97.7119.9-177.1-49.4175.9000109.1Q423 A425 I550 I584 T585Q423-I605 HydrophobicContact CB-CB 4.4Å; Q423-I605 HydrophobicContact CB-CG1 4.1Å; Q423-I605 HydrophobicContact CB-CG2 4.49Å; Q423-I605 HydrophobicContact CG-CB 4.49Å; Q423-I605 HydrophobicContact CG-CG1 4.16Å; Q423-I605 HydrophobicContact CG-CG2 4.14Å; A425-I605 HydrophobicContact CB-CG2 3.64Å; I550-I605 HydrophobicContact CG1-CD1 4.42Å; I550-I605 HydrophobicContact CG2-CD1 4.02Å; I584-I605 PolarHBondContact O-N 3.42Å; T585-I605 HydrophobicContact CG2-CD1 4.48Å
606A90.1Very high86Confident4 Ų444.2 Ų44.23%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-127.3117.6178.600000110.7Q423 A425 A609 L610 F623Q423-A606 PolarHBondContact O-N 2.98Å; A425-A606 PolarHBondContact N-O 2.9Å; A606-A609 HydrophobicContact CB-CB 4.49Å; A606-L610 HydrophobicContact CB-CD1 3.8Å; A606-L610 HydrophobicContact CB-CG 3.8Å; A606-F623 HydrophobicContact CB-CE2 4.37Å; A606-F623 HydrophobicContact CB-CZ 4.42Å
607G85Confident85.7Confident17 Ų1746.3 Ų46.318%0.17528%0.275CS..SBendtrans-96.4-97.5172.600000111.3A425 A609 L610 A611A425-G607 WeakPolarHBondContact O-CA 3.16Å; G607-A609 PolarHBondContact O-N 2.93Å; G607-A609 VanDerWaalsContact O-N 3.08Å; G607-L610 PolarHBondContact O-N 3.37Å; G607-A611 PolarHBondContact O-N 3.15Å
608R78.5Confident85.8Confident183 Ų18346 Ų4669%0.69128%0.276SS*.Hα-helixtrans-55.5-27.3-178.3-74.7-175.6-79.7177.9-2.7115L610 G612R608-L610 PolarHBondContact O-N 3.1Å; R608-G612 VanDerWaalsContact O-CA 3.26Å; R608-G612 WeakPolarHBondContact O-CA 3.43Å; R608-G612 PolarHBondContact O-N 3.29Å
609A77.4Confident86.2Confident42 Ų4242.7 Ų42.735%0.34726%0.259SS..Hα-helixtrans-63.4-31.7175.900000112.3A606 G607A606-A609 HydrophobicContact CB-CB 4.49Å; G607-A609 PolarHBondContact O-N 2.93Å; G607-A609 VanDerWaalsContact O-N 3.08Å
610L84.2Confident86.4Confident0 Ų042.4 Ų42.40%026%0.257CS..Hα-helixtrans-89.6-65172.8-65177.3000110.1L424 L441 V445 A606 G607 R608 G612 S613 P616 V619 A620L424-L610 HydrophobicContact CD1-CB 4.09Å; L424-L610 HydrophobicContact CD1-CD1 4.06Å; L441-L610 HydrophobicContact CD1-CB 3.86Å; V445-L610 HydrophobicContact CG1-CD1 3.99Å; A606-L610 HydrophobicContact CB-CD1 3.8Å; A606-L610 HydrophobicContact CB-CG 3.8Å; G607-L610 PolarHBondContact O-N 3.37Å; R608-L610 PolarHBondContact O-N 3.1Å; L610-G612 VanDerWaalsContact C-N 3.29Å; L610-G612 PolarHBondContact O-N 3.46Å; L610-S613 WeakPolarHBondContact O-CB 3.47Å; L610-S613 PolarHBondContact O-N 3.33Å; L610-S613 VanDerWaalsContact O-N 3.12Å; L610-P616 VanDerWaalsContact O-CB 3.26Å; L610-P616 WeakPolarHBondContact O-CB 3.45Å; L610-P616 WeakPolarHBondContact O-CG 3.39Å; L610-V619 HydrophobicContact CD2-CB 4.14Å; L610-V619 HydrophobicContact CD2-CG1 3.94Å; L610-A620 HydrophobicContact CD2-CB 3.86Å
611A76.9Confident86.4Confident31 Ų3140.2 Ų40.226%0.25626%0.26SS..Hα-helixtrans-60.1-31.1-173.200000114.8D437 G607D437-A611 WeakPolarHBondContact OD2-CB 3.45Å; G607-A611 PolarHBondContact O-N 3.15Å
612G76Confident86.3Confident63 Ų6343.4 Ų43.465%0.64928%0.277SS*.THydrogen-bonded Turntrans-92.8-3.4-179.200000114.6R608 L610R608-G612 VanDerWaalsContact O-CA 3.26Å; R608-G612 WeakPolarHBondContact O-CA 3.43Å; R608-G612 PolarHBondContact O-N 3.29Å; L610-G612 VanDerWaalsContact C-N 3.29Å; L610-G612 PolarHBondContact O-N 3.46Å
613S78.6Confident86.2Confident38 Ų3841.5 Ų41.527%0.26627%0.268SS..SBendtrans-73.3146.7179.6176.90000111.1L610 N615 P616 V619L610-S613 WeakPolarHBondContact O-CB 3.47Å; L610-S613 PolarHBondContact O-N 3.33Å; L610-S613 VanDerWaalsContact O-N 3.12Å; S613-N615 PolarHBondContact O-N 3.08Å; S613-N615 PolarHBondContact OG-N 3.31Å; S613-N615 VanDerWaalsContact OG-N 3.09Å; S613-N615 PolarHBondContact OG-O 3.07Å; S613-P616 WeakPolarHBondContact O-CD 3.39Å; S613-P616 WeakPolarHBondContact O-CG 3.14Å; S613-V619 WeakPolarHBondContact OG-CG2 3.48Å
614A80Confident86Confident115 Ų11543 Ų4395%0.9528%0.276SS*.SBendtrans-64.8-23.9169.900000112.4
615N87Confident85.5Confident88 Ų8845.9 Ų45.947%0.47130%0.299SS..SBendtrans-137.979.6174.7-169.2-7.5000110.7S613 A617 Q618 V619S613-N615 PolarHBondContact O-N 3.08Å; S613-N615 PolarHBondContact OG-N 3.31Å; S613-N615 VanDerWaalsContact OG-N 3.09Å; S613-N615 PolarHBondContact OG-O 3.07Å; N615-A617 VanDerWaalsContact C-N 3.33Å; N615-A617 PolarHBondContact O-N 3.36Å; N615-Q618 HydrophobicContact CB-CB 4.17Å; N615-Q618 PolarHBondContact O-N 2.97Å; N615-Q618 PolarHBondContact OD1-N 3.06Å; N615-V619 PolarHBondContact O-N 3.37Å
616P85.6Confident85.3Confident2 Ų248.6 Ų48.61%0.01331%0.311CS..Hα-helixtrans-58.3-39.2-175.3-27.637.3000114.2L441 L610 S613 Q618 V619 A620L441-P616 HydrophobicContact CD1-CB 4.03Å; L441-P616 HydrophobicContact CD2-CB 3.57Å; L441-P616 HydrophobicContact CG-CB 3.96Å; L610-P616 VanDerWaalsContact O-CB 3.26Å; L610-P616 WeakPolarHBondContact O-CB 3.45Å; L610-P616 WeakPolarHBondContact O-CG 3.39Å; S613-P616 WeakPolarHBondContact O-CD 3.39Å; S613-P616 WeakPolarHBondContact O-CG 3.14Å; P616-Q618 VanDerWaalsContact C-N 3.35Å; P616-Q618 PolarHBondContact O-N 3.44Å; P616-V619 PolarHBondContact O-N 2.91Å; P616-A620 PolarHBondContact O-N 3.23Å
617A84.2Confident85.2Confident43 Ų4348.4 Ų48.436%0.35531%0.31SS..Hα-helixtrans-65.4-37.2-179.500000112.3N615 A620 G621N615-A617 VanDerWaalsContact C-N 3.33Å; N615-A617 PolarHBondContact O-N 3.36Å; A617-A620 PolarHBondContact O-N 3.42Å; A617-G621 PolarHBondContact O-N 3.06Å
618Q87.5Confident84.9Confident105 Ų10551 Ų5149%0.49132%0.32SS..Hα-helixtrans-64.1-45.2174.8-176.962.154.800111.3N615 P616 A620 G621 D622N615-Q618 HydrophobicContact CB-CB 4.17Å; N615-Q618 PolarHBondContact O-N 2.97Å; N615-Q618 PolarHBondContact OD1-N 3.06Å; P616-Q618 VanDerWaalsContact C-N 3.35Å; P616-Q618 PolarHBondContact O-N 3.44Å; Q618-A620 VanDerWaalsContact C-N 3.32Å; Q618-A620 PolarHBondContact O-N 2.52Å; Q618-G621 CarbonylContact O-C 3.58Å; Q618-G621 WeakPolarHBondContact O-CA 3.46Å; Q618-G621 PolarHBondContact O-N 3.22Å; Q618-G621 VanDerWaalsContact O-N 3.12Å; Q618-D622 PolarHBondContact NE2-OD1 3.39Å; Q618-D622 PolarHBondContact O-N 2.85Å
619V90.1Very high84.9Confident30 Ų3045.8 Ų45.818%0.18232%0.316CS..Hα-helixtrans-63-41.2179.6179.80000110.9L610 S613 N615 P616 G621 D622 F623L610-V619 HydrophobicContact CD2-CB 4.14Å; L610-V619 HydrophobicContact CD2-CG1 3.94Å; S613-V619 WeakPolarHBondContact OG-CG2 3.48Å; N615-V619 PolarHBondContact O-N 3.37Å; P616-V619 PolarHBondContact O-N 2.91Å; V619-G621 VanDerWaalsContact C-N 3.34Å; V619-D622 PolarHBondContact O-N 2.78Å; V619-F623 HydrophobicContact CG1-CD2 4.16Å; V619-F623 HydrophobicContact CG1-CE2 4.11Å; V619-F623 WeakPolarHBondContact O-CD2 3.48Å; V619-F623 PolarHBondContact O-N 2.98Å
620A91.2Very high84.9Confident0 Ų046.1 Ų46.10%031%0.311CS..Hα-helixtrans-61.5-41.7173.300000112.1L422 L441 L610 P616 A617 Q618 D622 F623 H624L422-A620 HydrophobicContact CD2-CB 3.93Å; L441-A620 HydrophobicContact CD2-CB 4.46Å; L610-A620 HydrophobicContact CD2-CB 3.86Å; P616-A620 PolarHBondContact O-N 3.23Å; A617-A620 PolarHBondContact O-N 3.42Å; Q618-A620 VanDerWaalsContact C-N 3.32Å; Q618-A620 PolarHBondContact O-N 2.52Å; A620-D622 VanDerWaalsContact C-N 3.33Å; A620-D622 PolarHBondContact O-N 2.9Å; A620-F623 WeakPolarHBondContact O-CB 2.95Å; A620-F623 PolarHBondContact O-N 3.47Å; A620-H624 PolarHBondContact O-CD2 2.8Å; A620-H624 PolarHBondContact O-N 2.74Å
621G87.9Confident84.5Confident34 Ų3446.9 Ų46.935%0.35131%0.314SS..Hα-helixtrans-59.1-41172.500000113A617 Q618 V619 H624 A625A617-G621 PolarHBondContact O-N 3.06Å; Q618-G621 CarbonylContact O-C 3.58Å; Q618-G621 WeakPolarHBondContact O-CA 3.46Å; Q618-G621 PolarHBondContact O-N 3.22Å; Q618-G621 VanDerWaalsContact O-N 3.12Å; V619-G621 VanDerWaalsContact C-N 3.34Å; G621-H624 PolarHBondContact O-N 3.35Å; G621-A625 WeakPolarHBondContact O-CB 3.34Å; G621-A625 PolarHBondContact O-N 2.83Å
622D91.4Very high83.6Confident70 Ų7046.6 Ų46.637%0.37432%0.315SS..Hα-helixtrans-66.5-38177.2-60.6-19.6000111.7P590 Q618 V619 A620 Q626P590-D622 HydrophobicContact CB-CB 4.33Å; P590-D622 HydrophobicContact CG-CB 3.87Å; Q618-D622 PolarHBondContact NE2-OD1 3.39Å; Q618-D622 PolarHBondContact O-N 2.85Å; V619-D622 PolarHBondContact O-N 2.78Å; A620-D622 VanDerWaalsContact C-N 3.33Å; A620-D622 PolarHBondContact O-N 2.9Å; D622-Q626 PolarHBondContact O-N 3.35Å; D622-Q626 VanDerWaalsContact O-N 3.09Å
623F93.6Very high82.4Confident0 Ų045.7 Ų45.70%031%0.305CS..Hα-helixtrans-60.4-50.9170.7-92-79000111.1L422 I588 P590 L593 A606 V619 A620 A625 Q626 I627L422-F623 HydrophobicContact CD1-CB 4Å; L422-F623 HydrophobicContact CD1-CD1 4.1Å; L422-F623 HydrophobicContact CD1-CD2 4.3Å; L422-F623 HydrophobicContact CD1-CG 3.89Å; L422-F623 HydrophobicContact CD2-CB 3.91Å; I588-F623 HydrophobicContact CG2-CE1 4.2Å; I588-F623 HydrophobicContact CG2-CZ 4.1Å; P590-F623 HydrophobicContact CG-CD1 4.33Å; P590-F623 HydrophobicContact CG-CD2 3.75Å; P590-F623 HydrophobicContact CG-CE1 4.48Å; P590-F623 HydrophobicContact CG-CE2 3.92Å; P590-F623 HydrophobicContact CG-CG 3.96Å; P590-F623 HydrophobicContact CG-CZ 4.29Å; L593-F623 HydrophobicContact CD1-CD1 3.9Å; L593-F623 HydrophobicContact CD1-CE1 3.67Å; L593-F623 HydrophobicContact CD2-CD1 4.05Å; A606-F623 HydrophobicContact CB-CE2 4.37Å; A606-F623 HydrophobicContact CB-CZ 4.42Å; V619-F623 HydrophobicContact CG1-CD2 4.16Å; V619-F623 HydrophobicContact CG1-CE2 4.11Å; V619-F623 WeakPolarHBondContact O-CD2 3.48Å; V619-F623 PolarHBondContact O-N 2.98Å; A620-F623 WeakPolarHBondContact O-CB 2.95Å; A620-F623 PolarHBondContact O-N 3.47Å; F623-A625 PolarHBondContact O-N 3.42Å; F623-Q626 PolarHBondContact O-N 2.64Å; F623-I627 WeakPolarHBondContact O-CB 3.26Å; F623-I627 VanDerWaalsContact O-CG1 3.25Å; F623-I627 WeakPolarHBondContact O-CG1 3.33Å; F623-I627 PolarHBondContact O-N 2.86Å
624H90.6Very high80.8Confident33 Ų3351.2 Ų51.215%0.15333%0.325CS..Hα-helixtrans-60.5-44179.1-77-52000112.1R419 S444 D446 A620 G621 Q626 I627 D628R419-H624 PolarHBondContact NH2-ND1 3.17Å; S444-H624 PolarHBondContact O-NE2 3.23Å; S444-H624 VanDerWaalsContact O-NE2 3.08Å; D446-H624 IonicContact OD2-CE1 2.69Å; D446-H624 PolarHBondContact OD2-CE1 3.11Å; A620-H624 PolarHBondContact O-CD2 2.8Å; A620-H624 PolarHBondContact O-N 2.74Å; G621-H624 PolarHBondContact O-N 3.35Å; H624-Q626 VanDerWaalsContact C-N 3.29Å; H624-Q626 PolarHBondContact O-N 2.66Å; H624-I627 PolarHBondContact O-N 3.43Å; H624-D628 VanDerWaalsContact O-CB 3.28Å; H624-D628 WeakPolarHBondContact O-CB 3.37Å; H624-D628 PolarHBondContact O-N 3.01Å; H624-D628 VanDerWaalsContact O-OD2 3.1Å
625A84.5Confident79.5Confident59 Ų5949.2 Ų49.249%0.48830%0.296SS..Hα-helixtrans-58.2-41.3176.800000112.2G621 F623 D628 A629G621-A625 WeakPolarHBondContact O-CB 3.34Å; G621-A625 PolarHBondContact O-N 2.83Å; F623-A625 PolarHBondContact O-N 3.42Å; A625-D628 PolarHBondContact O-N 3.29Å; A625-A629 WeakPolarHBondContact O-CB 3.26Å; A625-A629 PolarHBondContact O-N 3.39Å
626Q90Very high78.2Confident63 Ų6347.3 Ų47.329%0.29429%0.285SS..Hα-helixtrans-74.9-38.2178.5-165.168.22600112.7P590 L593 D622 F623 H624 D628 A629 I630P590-Q626 HydrophobicContact CB-CB 4.45Å; P590-Q626 WeakPolarHBondContact O-CG 3.36Å; L593-Q626 HydrophobicContact CB-CG 3.86Å; L593-Q626 HydrophobicContact CD2-CB 3.92Å; L593-Q626 HydrophobicContact CD2-CG 4.06Å; D622-Q626 PolarHBondContact O-N 3.35Å; D622-Q626 VanDerWaalsContact O-N 3.09Å; F623-Q626 PolarHBondContact O-N 2.64Å; H624-Q626 VanDerWaalsContact C-N 3.29Å; H624-Q626 PolarHBondContact O-N 2.66Å; Q626-D628 PolarHBondContact O-N 3.17Å; Q626-A629 PolarHBondContact O-N 3.06Å; Q626-I630 HydrophobicContact CG-CD1 3.9Å; Q626-I630 WeakPolarHBondContact O-CD1 3.45Å; Q626-I630 WeakPolarHBondContact O-CG1 3.44Å; Q626-I630 PolarHBondContact O-N 3.44Å; Q626-I630 VanDerWaalsContact O-N 3.12Å
627I89Confident77.7Confident0 Ų049.9 Ų49.90%030%0.303CS..Hα-helixtrans-57.1-45.8170.8-71.7169000109.1R419 L593 F604 F623 H624 A629 I630 W631 G632R419-I627 HydrophobicContact CG-CG2 3.58Å; L593-I627 HydrophobicContact CD2-CD1 4.46Å; L593-I627 HydrophobicContact CD2-CG1 3.54Å; F604-I627 HydrophobicContact CD2-CD1 3.93Å; F604-I627 HydrophobicContact CD2-CG1 4Å; F604-I627 HydrophobicContact CE2-CG1 4.14Å; F623-I627 WeakPolarHBondContact O-CB 3.26Å; F623-I627 VanDerWaalsContact O-CG1 3.25Å; F623-I627 WeakPolarHBondContact O-CG1 3.33Å; F623-I627 PolarHBondContact O-N 2.86Å; H624-I627 PolarHBondContact O-N 3.43Å; I627-A629 VanDerWaalsContact C-N 3.35Å; I627-A629 PolarHBondContact O-N 2.84Å; I627-I630 PolarHBondContact O-N 2.78Å; I627-W631 HydrophobicContact CB-CE3 4.5Å; I627-W631 HydrophobicContact CG2-CE3 4.37Å; I627-W631 WeakPolarHBondContact O-CA 3.43Å; I627-W631 PolarHBondContact O-N 2.92Å; I627-G632 PolarHBondContact O-N 2.88Å; I627-G632 VanDerWaalsContact O-N 3.07Å
628D79.5Confident77.8Confident71 Ų7149.2 Ų49.238%0.3829%0.291SS..Hα-helixtrans-69-35.4-177.9-67-27000111.7R419 H624 A625 Q626 I630 G632 G633R419-D628 IonicContact CZ-OD1 3.91Å; R419-D628 VanDerWaalsContact CZ-OD1 3.28Å; R419-D628 IonicContact NE-OD1 2.78Å; R419-D628 PolarHBondContact NE-OD1 3.17Å; R419-D628 IonicContact NH2-OD1 3.6Å; R419-D628 PolarHBondContact NH2-OD1 2.86Å; R419-D628 IonicContact NH2-OD2 3.61Å; H624-D628 VanDerWaalsContact O-CB 3.28Å; H624-D628 WeakPolarHBondContact O-CB 3.37Å; H624-D628 PolarHBondContact O-N 3.01Å; H624-D628 VanDerWaalsContact O-OD2 3.1Å; A625-D628 PolarHBondContact O-N 3.29Å; Q626-D628 PolarHBondContact O-N 3.17Å; D628-I630 VanDerWaalsContact C-N 3.34Å; D628-I630 PolarHBondContact O-N 3.39Å; D628-G632 CarbonylContact O-C 3.42Å; D628-G632 WeakPolarHBondContact O-CA 3.4Å; D628-G632 PolarHBondContact O-N 3.11Å; D628-G633 PolarHBondContact O-N 3.26Å
629A77.5Confident77.4Confident75 Ų7546.8 Ų46.862%0.6229%0.285SS*.Hα-helixtrans-66.3-32.5175.300000113.5A625 Q626 I627A625-A629 WeakPolarHBondContact O-CB 3.26Å; A625-A629 PolarHBondContact O-N 3.39Å; Q626-A629 PolarHBondContact O-N 3.06Å; I627-A629 VanDerWaalsContact C-N 3.35Å; I627-A629 PolarHBondContact O-N 2.84Å
630I76.9Confident76.7Confident48 Ų4848.7 Ų48.725%0.24629%0.292CS..Hα-helixtrans-95.8-48.3-176.1-59.9160.8000111.5L593 P594 K597 Q626 I627 D628L593-I630 HydrophobicContact CB-CD1 3.74Å; P594-I630 HydrophobicContact CB-CD1 4.35Å; P594-I630 HydrophobicContact CG-CD1 3.96Å; K597-I630 HydrophobicContact CB-CG2 3.75Å; Q626-I630 HydrophobicContact CG-CD1 3.9Å; Q626-I630 WeakPolarHBondContact O-CD1 3.45Å; Q626-I630 WeakPolarHBondContact O-CG1 3.44Å; Q626-I630 PolarHBondContact O-N 3.44Å; Q626-I630 VanDerWaalsContact O-N 3.12Å; I627-I630 PolarHBondContact O-N 2.78Å; D628-I630 VanDerWaalsContact C-N 3.34Å; D628-I630 PolarHBondContact O-N 3.39Å
631W77.6Confident76.3Confident16 Ų1651.3 Ų51.36%0.06130%0.302CS..THydrogen-bonded Turntrans-114.5-16.4-176.1-61.7-88.2000113.7P420 L593 F596 V601 F604 I627 G633P420-W631 HydrophobicContact CG-CD2 3.59Å; P420-W631 HydrophobicContact CG-CE3 3.83Å; P420-W631 HydrophobicContact CG-CG 3.92Å; P420-W631 HydrophobicContact CG-CZ2 4.3Å; P420-W631 HydrophobicContact CG-CZ3 4.33Å; L593-W631 HydrophobicContact CB-CH2 4.42Å; L593-W631 HydrophobicContact CB-CZ3 4.19Å; L593-W631 HydrophobicContact CD2-CZ3 4.39Å; L593-W631 HydrophobicContact CG-CZ3 4.28Å; L593-W631 WeakPolarHBondContact O-CH2 3.36Å; F596-W631 HydrophobicContact CB-CH2 4.46Å; F596-W631 HydrophobicContact CB-CZ2 4.43Å; V601-W631 HydrophobicContact CG2-CZ2 4.21Å; F604-W631 HydrophobicContact CE2-CE3 4.45Å; F604-W631 AromaticContact CE2-CH2 3.79Å; F604-W631 HydrophobicContact CE2-CH2 3.79Å; F604-W631 AromaticContact CE2-CZ3 3.68Å; F604-W631 HydrophobicContact CE2-CZ3 3.68Å; F604-W631 AromaticContact CZ-CH2 3.53Å; F604-W631 HydrophobicContact CZ-CH2 3.53Å; F604-W631 HydrophobicContact CZ-CZ2 4.28Å; F604-W631 AromaticContact CZ-CZ3 3.92Å; F604-W631 HydrophobicContact CZ-CZ3 3.92Å; I627-W631 HydrophobicContact CB-CE3 4.5Å; I627-W631 HydrophobicContact CG2-CE3 4.37Å; I627-W631 WeakPolarHBondContact O-CA 3.43Å; I627-W631 PolarHBondContact O-N 2.92Å; W631-G633 CarbonylContact O-C 3.58Å; W631-G633 PolarHBondContact O-N 2.81Å
632G57.4Low76.2Confident26 Ų2649.7 Ų49.727%0.26829%0.285SS..  trans-68.8-8.4175.800000113.5I627 D628 K634I627-G632 PolarHBondContact O-N 2.88Å; I627-G632 VanDerWaalsContact O-N 3.07Å; D628-G632 CarbonylContact O-C 3.42Å; D628-G632 WeakPolarHBondContact O-CA 3.4Å; D628-G632 PolarHBondContact O-N 3.11Å; G632-K634 PolarHBondContact O-N 3.01Å
633G49.9Very low75.4Confident44 Ų4450.4 Ų50.445%0.45429%0.291SS..  trans-60.875.7154.700000110.6D628 W631 H635D628-G633 PolarHBondContact O-N 3.26Å; W631-G633 CarbonylContact O-C 3.58Å; W631-G633 PolarHBondContact O-N 2.81Å; G633-H635 PolarHBondContact O-N 2.85Å
634K46Very low74.5Confident154 Ų15453.1 Ų53.167%0.6731%0.305SS*.  trans-60.530.3153.9-71.6-175.4174.7-176.40110.9G632 L636G632-K634 PolarHBondContact O-N 3.01Å; K634-L636 PolarHBondContact O-N 2.63Å
635H52.8Low73.9Confident73 Ų7352 Ų5234%0.33830%0.302SS..  trans-108.886-166.7-69.4-19.3000106.7G633 S637 R641 E662G633-H635 PolarHBondContact O-N 2.85Å; H635-S637 PolarHBondContact O-N 3.06Å; H635-S637 VanDerWaalsContact O-N 3.1Å; H635-R641 PolarHBondContact ND1-NH2 3.37Å; H635-E662 IonicContact CD2-OE1 2.85Å; H635-E662 PolarHBondContact CD2-OE1 3.4Å; H635-E662 IonicContact CD2-OE2 3.97Å; H635-E662 IonicContact NE2-OE1 2.69Å; H635-E662 PolarHBondContact NE2-OE1 2.95Å; H635-E662 IonicContact NE2-OE2 3.2Å; H635-E662 PolarHBondContact NE2-OE2 3.26Å
636L59.8Low73.6Confident48 Ų4854.1 Ų54.125%0.25130%0.3SS..  trans-32.2121.8144.2-65162.2000107.4I416 K634 E640 R641 L644I416-L636 HydrophobicContact CD1-CD2 4.27Å; K634-L636 PolarHBondContact O-N 2.63Å; L636-E640 WeakPolarHBondContact CA-OE2 3.22Å; L636-E640 HydrophobicContact CB-CB 3.87Å; L636-E640 HydrophobicContact CD2-CB 3.71Å; L636-E640 HydrophobicContact CG-CB 4.38Å; L636-R641 HydrophobicContact CB-CG 3.52Å; L636-R641 HydrophobicContact CD1-CG 4.31Å; L636-R641 WeakPolarHBondContact O-CG 3.19Å; L636-R641 PolarHBondContact O-NE 2.95Å; L636-L644 HydrophobicContact CD1-CB 4.49Å; L636-L644 HydrophobicContact CD1-CD2 3.32Å
637S75.4Confident72.5Confident55 Ų5554.5 Ų54.539%0.38531%0.31SS..  trans-50.8156.416566.60000108.6H635 P639 E640 R641H635-S637 PolarHBondContact O-N 3.06Å; H635-S637 VanDerWaalsContact O-N 3.1Å; S637-P639 VanDerWaalsContact C-CD 3.49Å; S637-P639 VanDerWaalsContact C-N 3.32Å; S637-E640 VanDerWaalsContact CB-OE2 3.27Å; S637-E640 WeakPolarHBondContact CB-OE2 3.41Å; S637-E640 PolarHBondContact N-OE2 2.8Å; S637-E640 WeakPolarHBondContact O-CB 3.23Å; S637-E640 PolarHBondContact O-N 3Å; S637-E640 VanDerWaalsContact OG-CG 3.26Å; S637-E640 WeakPolarHBondContact OG-CG 3.34Å; S637-E640 PolarHBondContact OG-N 3.29Å; S637-E640 PolarHBondContact OG-OE2 3.28Å; S637-R641 PolarHBondContact O-N 3.49Å
638W84.8Confident71.3Confident29 Ų2955.5 Ų55.511%0.1132%0.317CS..Hα-helixtrans-56.4-39.7-180-82.895.3000114.4E640 R641 L642 V653 M655 W669 L677 I688W638-E640 VanDerWaalsContact C-N 3.32Å; W638-E640 PolarHBondContact O-N 3.4Å; W638-R641 PolarHBondContact O-N 2.94Å; W638-L642 VanDerWaalsContact O-CG 3.26Å; W638-L642 WeakPolarHBondContact O-CG 3.15Å; W638-L642 PolarHBondContact O-N 3.17Å; W638-V653 HydrophobicContact CZ3-CG1 4.28Å; W638-M655 HydrophobicContact CH2-CB 3.98Å; W638-M655 HydrophobicContact CH2-CE 3.87Å; W638-M655 HydrophobicContact CH2-CG 3.99Å; W638-M655 HydrophobicContact CZ2-CB 4.45Å; W638-M655 HydrophobicContact CZ2-CE 3.67Å; W638-M655 HydrophobicContact CZ2-CG 3.94Å; W638-M655 HydrophobicContact CZ2-SD 4.48Å; W638-W669 AromaticContact CD1-CH2 3.6Å; W638-W669 AromaticContact CD1-CZ2 3.99Å; W638-W669 AromaticContact CE2-CH2 3.97Å; W638-W669 AromaticContact NE1-CH2 3.24Å; W638-W669 AromaticContact NE1-CZ2 3.67Å; W638-L677 HydrophobicContact CB-CD1 3.44Å; W638-L677 VanDerWaalsContact CB-CD1 3.44Å; W638-L677 HydrophobicContact CD2-CD1 4.03Å; W638-L677 HydrophobicContact CD2-CD2 4.29Å; W638-L677 HydrophobicContact CE3-CD1 4.05Å; W638-L677 HydrophobicContact CG-CD1 3.81Å; W638-L677 HydrophobicContact CG-CD2 4.32Å; W638-I688 HydrophobicContact CE3-CD1 3.78Å; W638-I688 HydrophobicContact CH2-CD1 4.15Å; W638-I688 HydrophobicContact CZ3-CD1 3.47Å; W638-I688 VanDerWaalsContact CZ3-CD1 3.47Å; W638-I688 HydrophobicContact CZ3-CG1 4.27Å
639P79Confident71.1Confident55 Ų5555 Ų5536%0.35733%0.328SS..Hα-helixtrans-54.4-46.9170.7-26.735.3000112.8S637 R641 L642 V643 A680S637-P639 VanDerWaalsContact C-CD 3.49Å; S637-P639 VanDerWaalsContact C-N 3.32Å; P639-R641 PolarHBondContact O-N 3Å; P639-L642 PolarHBondContact O-N 2.98Å; P639-V643 WeakPolarHBondContact O-CG2 3.48Å; P639-V643 PolarHBondContact O-N 3.14Å; P639-A680 HydrophobicContact CB-CB 4.14Å; P639-A680 HydrophobicContact CG-CB 3.99Å
640E76.8Confident71.4Confident70 Ų7055.5 Ų55.533%0.32732%0.317SS..Hα-helixtrans-65.8-38.5178.5-66.5164.3140.400112.3L636 S637 W638 L642 V643 L644L636-E640 WeakPolarHBondContact CA-OE2 3.22Å; L636-E640 HydrophobicContact CB-CB 3.87Å; L636-E640 HydrophobicContact CD2-CB 3.71Å; L636-E640 HydrophobicContact CG-CB 4.38Å; S637-E640 VanDerWaalsContact CB-OE2 3.27Å; S637-E640 WeakPolarHBondContact CB-OE2 3.41Å; S637-E640 PolarHBondContact N-OE2 2.8Å; S637-E640 WeakPolarHBondContact O-CB 3.23Å; S637-E640 PolarHBondContact O-N 3Å; S637-E640 VanDerWaalsContact OG-CG 3.26Å; S637-E640 WeakPolarHBondContact OG-CG 3.34Å; S637-E640 PolarHBondContact OG-N 3.29Å; S637-E640 PolarHBondContact OG-OE2 3.28Å; W638-E640 VanDerWaalsContact C-N 3.32Å; W638-E640 PolarHBondContact O-N 3.4Å; E640-L642 VanDerWaalsContact C-N 3.33Å; E640-L642 PolarHBondContact O-N 3.43Å; E640-V643 PolarHBondContact O-N 3.03Å; E640-L644 VanDerWaalsContact O-CB 3.28Å; E640-L644 WeakPolarHBondContact O-CB 3.43Å; E640-L644 PolarHBondContact O-N 3.02Å
641R82Confident71.9Confident55 Ų5559.1 Ų59.121%0.20834%0.336CS..Hα-helixtrans-60.9-42.1174.1-71.2-177.1-170.5-144.7-1.7111.9H635 L636 S637 W638 P639 L644 A645H635-R641 PolarHBondContact ND1-NH2 3.37Å; L636-R641 HydrophobicContact CB-CG 3.52Å; L636-R641 HydrophobicContact CD1-CG 4.31Å; L636-R641 WeakPolarHBondContact O-CG 3.19Å; L636-R641 PolarHBondContact O-NE 2.95Å; S637-R641 PolarHBondContact O-N 3.49Å; W638-R641 PolarHBondContact O-N 2.94Å; P639-R641 PolarHBondContact O-N 3Å; R641-L644 PolarHBondContact O-N 3.32Å; R641-A645 VanDerWaalsContact O-CB 3.32Å; R641-A645 WeakPolarHBondContact O-CB 3.36Å; R641-A645 PolarHBondContact O-N 3.43Å
642L85.6Confident72.7Confident0 Ų060.1 Ų60.10%034%0.341CS..Hα-helixtrans-70.6-40.4-179.3-66.3173.6000111.3W638 P639 E640 L644 A645 K646 V653 L677 A680 M681 T684 V686 I688W638-L642 VanDerWaalsContact O-CG 3.26Å; W638-L642 WeakPolarHBondContact O-CG 3.15Å; W638-L642 PolarHBondContact O-N 3.17Å; P639-L642 PolarHBondContact O-N 2.98Å; E640-L642 VanDerWaalsContact C-N 3.33Å; E640-L642 PolarHBondContact O-N 3.43Å; L642-L644 VanDerWaalsContact C-N 3.35Å; L642-A645 PolarHBondContact O-N 3.4Å; L642-K646 WeakPolarHBondContact O-CB 3.43Å; L642-K646 PolarHBondContact O-N 3.34Å; L642-V653 HydrophobicContact CD2-CG2 4.33Å; L642-L677 HydrophobicContact CD1-CD1 3.99Å; L642-A680 HydrophobicContact CD1-CB 3.88Å; L642-M681 HydrophobicContact CD1-CB 4.37Å; L642-M681 HydrophobicContact CD1-CG 3.65Å; L642-M681 HydrophobicContact CD2-CG 4.42Å; L642-T684 HydrophobicContact CB-CG2 3.93Å; L642-V686 HydrophobicContact CB-CB 4.42Å; L642-V686 HydrophobicContact CD2-CB 4.05Å; L642-V686 HydrophobicContact CD2-CG1 3.76Å; L642-I688 HydrophobicContact CD2-CG1 4.35Å
643V75.7Confident74.3Confident84 Ų8460.5 Ų60.551%0.50934%0.338SS..Hα-helixtrans-60.7-45.9172.4171.50000110.7P639 E640 K646 S647 T684P639-V643 WeakPolarHBondContact O-CG2 3.48Å; P639-V643 PolarHBondContact O-N 3.14Å; E640-V643 PolarHBondContact O-N 3.03Å; V643-K646 WeakPolarHBondContact O-CB 3.28Å; V643-K646 PolarHBondContact O-N 3.47Å; V643-S647 PolarHBondContact O-N 3.38Å; V643-S647 PolarHBondContact O-OG 3.34Å; V643-T684 HydrophobicContact CG2-CG2 3.67Å
644L72.9Confident76.4Confident57 Ų5759.9 Ų59.930%0.29832%0.323SS..Hα-helixtrans-63.7-43.6178.2-174.564.1000112.2L636 E640 R641 L642 K646 S647 C648 V884L636-L644 HydrophobicContact CD1-CB 4.49Å; L636-L644 HydrophobicContact CD1-CD2 3.32Å; E640-L644 VanDerWaalsContact O-CB 3.28Å; E640-L644 WeakPolarHBondContact O-CB 3.43Å; E640-L644 PolarHBondContact O-N 3.02Å; R641-L644 PolarHBondContact O-N 3.32Å; L642-L644 VanDerWaalsContact C-N 3.35Å; L644-K646 VanDerWaalsContact C-N 3.27Å; L644-K646 PolarHBondContact O-N 2.98Å; L644-S647 WeakPolarHBondContact CA-OG 3.32Å; L644-S647 PolarHBondContact O-N 3.04Å; L644-S647 PolarHBondContact O-OG 3.38Å; L644-C648 WeakPolarHBondContact O-CB 3.22Å; L644-C648 PolarHBondContact O-N 2.99Å; L644-C648 PolarHBondContact O-SG 2.78Å; L644-V884 HydrophobicContact CD1-CG1 3.85Å; L644-V884 HydrophobicContact CD1-CG2 4.35Å; L644-V884 HydrophobicContact CD2-CG2 4.18Å; L644-V884 HydrophobicContact CG-CG2 4.4Å
645A78.2Confident78.7Confident9 Ų952.5 Ų52.57%0.07429%0.292CS..Hα-helixtrans-58.6-43.517500000110.7R641 L642 C648 G649 F650 V653 V686R641-A645 VanDerWaalsContact O-CB 3.32Å; R641-A645 WeakPolarHBondContact O-CB 3.36Å; R641-A645 PolarHBondContact O-N 3.43Å; L642-A645 PolarHBondContact O-N 3.4Å; A645-C648 PolarHBondContact O-N 3.11Å; A645-G649 PolarHBondContact O-N 2.95Å; A645-F650 HydrophobicContact CB-CB 4.29Å; A645-F650 PolarHBondContact O-N 2.98Å; A645-V653 HydrophobicContact CB-CG2 3.48Å; A645-V653 VanDerWaalsContact CB-CG2 3.48Å; A645-V686 HydrophobicContact CB-CG1 4.05Å
646K79.8Confident80.6Confident104 Ų10450.3 Ų50.345%0.45228%0.284SS..Hα-helixtrans-61.9-45.9176.6-168.558.6171.4-176.70112.1L642 V643 L644 C648 G649 V686L642-K646 WeakPolarHBondContact O-CB 3.43Å; L642-K646 PolarHBondContact O-N 3.34Å; V643-K646 WeakPolarHBondContact O-CB 3.28Å; V643-K646 PolarHBondContact O-N 3.47Å; L644-K646 VanDerWaalsContact C-N 3.27Å; L644-K646 PolarHBondContact O-N 2.98Å; K646-C648 PolarHBondContact O-N 2.95Å; K646-G649 PolarHBondContact O-N 3.35Å; K646-V686 HydrophobicContact CB-CG2 3.6Å; K646-V686 HydrophobicContact CD-CG2 3.75Å; K646-V686 HydrophobicContact CG-CG2 4.19Å
647S65.8Low82.2Confident72 Ų7248 Ų4850%0.50327%0.272SS..Hα-helixtrans-67.1-28.1179.868.40000112.4V643 L644 G649V643-S647 PolarHBondContact O-N 3.38Å; V643-S647 PolarHBondContact O-OG 3.34Å; L644-S647 WeakPolarHBondContact CA-OG 3.32Å; L644-S647 PolarHBondContact O-N 3.04Å; L644-S647 PolarHBondContact O-OG 3.38Å; S647-G649 VanDerWaalsContact C-N 3.27Å
648C65.1Low83Confident21 Ų2146.6 Ų46.614%0.14226%0.261CS..THydrogen-bonded Turntrans-79.7-6173.5-63.70000113.6L644 A645 K646 F650 V884L644-C648 WeakPolarHBondContact O-CB 3.22Å; L644-C648 PolarHBondContact O-N 2.99Å; L644-C648 PolarHBondContact O-SG 2.78Å; A645-C648 PolarHBondContact O-N 3.11Å; K646-C648 PolarHBondContact O-N 2.95Å; C648-F650 HydrophobicContact CB-CD2 3.61Å; C648-F650 HydrophobicContact CB-CE2 3.73Å; C648-V884 WeakPolarHBondContact SG-CG1 3.4Å
649G75.3Confident83Confident60 Ų6048 Ų4862%0.61927%0.268SS*.THydrogen-bonded Turntrans86.213.1179.900000114.9A645 K646 S647A645-G649 PolarHBondContact O-N 2.95Å; K646-G649 PolarHBondContact O-N 3.35Å; S647-G649 VanDerWaalsContact C-N 3.27Å
650F83.7Confident83.3Confident86 Ų8648.4 Ų48.438%0.37727%0.27SS..  trans-81.5136.6173.8-65.1-77.3000111.2A645 C648 I873A645-F650 HydrophobicContact CB-CB 4.29Å; A645-F650 PolarHBondContact O-N 2.98Å; C648-F650 HydrophobicContact CB-CD2 3.61Å; C648-F650 HydrophobicContact CB-CE2 3.73Å; F650-I873 HydrophobicContact CE1-CD1 4.12Å
651D86.7Confident83.6Confident124 Ų12450.6 Ų50.666%0.66328%0.284SS*.SBendtrans-79.5-21.2176.2-64.7-57.7000113G687D651-G687 PolarHBondContact O-N 3.36Å
652F93.5Very high83.6Confident37 Ų3752.5 Ų52.516%0.16230%0.295CS..BIsolated β-bridgetrans-157.4168.4-17669-88.3000113G687 P689 F871 L872F652-G687 CarbonylContact C-O 3.51Å; F652-G687 WeakPolarHBondContact CA-O 3.26Å; F652-G687 VanDerWaalsContact CB-O 3.24Å; F652-G687 WeakPolarHBondContact CB-O 3.43Å; F652-P689 HydrophobicContact CB-CG 3.86Å; F652-P689 HydrophobicContact CD1-CG 4.49Å; F652-P689 HydrophobicContact CD2-CG 3.31Å; F652-P689 HydrophobicContact CE2-CG 3.93Å; F652-P689 HydrophobicContact CG-CG 3.64Å; F652-F871 WeakPolarHBondContact CZ-O 3.34Å; F652-L872 HydrophobicContact CD2-CD1 4.39Å; F652-L872 HydrophobicContact CE2-CB 4.47Å; F652-L872 HydrophobicContact CE2-CD1 3.65Å; F652-L872 HydrophobicContact CZ-CD1 4.34Å
653V91.6Very high83.7Confident34 Ų3454.8 Ų54.821%0.20630%0.304CS..  trans-128.9141.2174-179.30000109.5W638 L642 A645 V686 G687 I688W638-V653 HydrophobicContact CZ3-CG1 4.28Å; L642-V653 HydrophobicContact CD2-CG2 4.33Å; A645-V653 HydrophobicContact CB-CG2 3.48Å; A645-V653 VanDerWaalsContact CB-CG2 3.48Å; V653-V686 HydrophobicContact CG2-CG1 4.06Å; V653-G687 PolarHBondContact N-O 3.41Å; V653-I688 WeakPolarHBondContact O-CA 3.38Å; V653-I688 WeakPolarHBondContact O-CG2 3.38Å
654E94Very high84.4Confident30 Ų3051.5 Ų51.514%0.1428%0.283CS..PPolyproline II helixtrans-87.7133.2169.4-178.3166.399.200111.2S690 C692 Y800 H828 L872E654-S690 WeakPolarHBondContact CG-OG 3.36Å; E654-S690 VanDerWaalsContact OE2-CB 3.26Å; E654-S690 WeakPolarHBondContact OE2-CB 3.41Å; E654-S690 PolarHBondContact OE2-OG 2.79Å; E654-C692 HydrophobicContact CG-CB 4.42Å; E654-C692 WeakPolarHBondContact OE1-CB 3.28Å; E654-Y800 WeakPolarHBondContact OE2-CE2 3.35Å; E654-Y800 PolarHBondContact OE2-OH 2.93Å; E654-H828 IonicContact OE1-CE1 3.48Å; E654-H828 IonicContact OE1-NE2 3.48Å; E654-H828 PolarHBondContact OE1-NE2 2.95Å; E654-H828 IonicContact OE2-NE2 3.55Å; E654-L872 HydrophobicContact CB-CD1 3.78Å; E654-L872 HydrophobicContact CB-CD2 3.67Å; E654-L872 HydrophobicContact CB-CG 4.4Å; E654-L872 HydrophobicContact CG-CD2 4.2Å; E654-L872 WeakPolarHBondContact OE1-CD2 3.41Å
655M94.6Very high85.4Confident0 Ų051.5 Ų51.50%029%0.288CS..EExtended strand (participates in β ladder)trans-85.3119.9176.7178.9177.5-66.900111.2W638 W669 L677 I688 S690 M691 C692 L722 L726 I728W638-M655 HydrophobicContact CH2-CB 3.98Å; W638-M655 HydrophobicContact CH2-CE 3.87Å; W638-M655 HydrophobicContact CH2-CG 3.99Å; W638-M655 HydrophobicContact CZ2-CB 4.45Å; W638-M655 HydrophobicContact CZ2-CE 3.67Å; W638-M655 HydrophobicContact CZ2-CG 3.94Å; W638-M655 HydrophobicContact CZ2-SD 4.48Å; M655-W669 HydrophobicContact CE-CH2 4.15Å; M655-W669 HydrophobicContact CE-CZ3 3.99Å; M655-L677 HydrophobicContact CE-CD2 3.68Å; M655-I688 HydrophobicContact CB-CG2 3.74Å; M655-I688 HydrophobicContact CE-CD1 4.06Å; M655-S690 PolarHBondContact N-O 2.9Å; M655-M691 HydrophobicContact CB-CB 4.46Å; M655-M691 HydrophobicContact CB-CG 4.41Å; M655-M691 HydrophobicContact CG-CG 4.44Å; M655-M691 CarbonylContact O-C 3.59Å; M655-M691 WeakPolarHBondContact O-CA 3.4Å; M655-M691 WeakPolarHBondContact O-CG 3.42Å; M655-M691 HydrophobicContact SD-CE 4.01Å; M655-C692 PolarHBondContact O-N 2.93Å; M655-L722 HydrophobicContact SD-CD2 4.12Å; M655-L726 HydrophobicContact CE-CD1 3.64Å; M655-L726 HydrophobicContact SD-CD1 4.29Å; M655-I728 HydrophobicContact SD-CD1 4.29Å
656S92.2Very high86.1Confident27 Ų2751.6 Ų51.619%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-86.3136.5171.5-174.70000112.4R663 R666S656-R663 PolarHBondContact OG-NH1 3.09Å; S656-R666 PolarHBondContact O-NH1 2.86Å
657V94.4Very high86.9Confident0 Ų046.9 Ų46.90%027%0.266CS..  trans-129.586.2165.9179.70000106.7L664 L667 M691 C692 L693 S694 A695V657-L664 HydrophobicContact CG1-CD2 4.4Å; V657-L667 HydrophobicContact CG1-CD1 4Å; V657-L667 HydrophobicContact CG1-CD2 4.1Å; V657-L667 HydrophobicContact CG1-CG 3.91Å; V657-L667 HydrophobicContact CG2-CD2 4.33Å; V657-M691 HydrophobicContact CG2-CG 4.05Å; V657-M691 HydrophobicContact CG2-SD 3.82Å; V657-C692 PolarHBondContact N-O 3.11Å; V657-L693 HydrophobicContact CB-CD1 3.82Å; V657-L693 HydrophobicContact CG1-CD1 3.72Å; V657-L693 CarbonylContact O-C 3.38Å; V657-S694 PolarHBondContact O-N 2.82Å; V657-S694 VanDerWaalsContact O-N 3.1Å; V657-A695 PolarHBondContact O-N 2.86Å
658D90.5Very high88.3Confident25 Ų2548 Ų4813%0.13427%0.266CS..  trans-91.3-168.4-179.867.425.7000112.4T660 R663 L664 S694 A695D658-T660 VanDerWaalsContact C-N 3.26Å; D658-T660 PolarHBondContact O-N 2.98Å; D658-T660 VanDerWaalsContact OD1-CB 3.28Å; D658-T660 WeakPolarHBondContact OD1-CB 3.49Å; D658-T660 WeakPolarHBondContact OD1-CG2 3.46Å; D658-T660 PolarHBondContact OD1-N 3.46Å; D658-T660 PolarHBondContact OD1-OG1 2.96Å; D658-R663 WeakPolarHBondContact OD1-CD 2.96Å; D658-R663 WeakPolarHBondContact OD2-CD 3.34Å; D658-R663 IonicContact OD2-CZ 3.89Å; D658-R663 IonicContact OD2-NE 3.8Å; D658-R663 IonicContact OD2-NH1 3.81Å; D658-R663 PolarHBondContact OD2-NH1 3.22Å; D658-L664 WeakPolarHBondContact O-CG 3.48Å; D658-S694 VanDerWaalsContact CA-OG 3.29Å; D658-S694 WeakPolarHBondContact CA-OG 3.4Å; D658-S694 WeakPolarHBondContact CB-OG 3.37Å; D658-A695 WeakPolarHBondContact O-CB 3.24Å
659E86.2Confident89.8Confident59 Ų5948.8 Ų48.828%0.27627%0.266SS..SBendtrans-76.6-5.4-176.364-170.4-178.500115.4R698 Y740E659-R698 HydrophobicContact CB-CB 3.7Å; E659-R698 PolarHBondContact O-NH1 2.95Å; E659-Y740 PolarHBondContact OE1-OH 2.88Å; E659-Y740 VanDerWaalsContact OE1-OH 3.09Å; E659-Y740 PolarHBondContact OE2-OH 3.37Å; E659-Y740 VanDerWaalsContact OE2-OH 3.09Å
660T84.3Confident90.5Very high63 Ų6348.6 Ų48.639%0.38726%0.256SS..SBendtrans-72.3140.6176.166.50000110.6D658 E662 R663 L664D658-T660 VanDerWaalsContact C-N 3.26Å; D658-T660 PolarHBondContact O-N 2.98Å; D658-T660 VanDerWaalsContact OD1-CB 3.28Å; D658-T660 WeakPolarHBondContact OD1-CB 3.49Å; D658-T660 WeakPolarHBondContact OD1-CG2 3.46Å; D658-T660 PolarHBondContact OD1-N 3.46Å; D658-T660 PolarHBondContact OD1-OG1 2.96Å; T660-E662 PolarHBondContact O-N 3.25Å; T660-R663 PolarHBondContact O-N 3.34Å; T660-R663 PolarHBondContact OG1-N 2.93Å; T660-L664 WeakPolarHBondContact O-CB 3.41Å; T660-L664 WeakPolarHBondContact O-CG 3.46Å; T660-L664 PolarHBondContact O-N 3.47Å
661D83.8Confident90.8Very high116 Ų11649.9 Ų49.962%0.6227%0.271SS*.Hα-helixtrans-61.9-31-178.9-66.7-23.2000111.8S665 R698D661-S665 WeakPolarHBondContact O-CB 3.38Å; D661-S665 PolarHBondContact O-N 3.45Å; D661-R698 IonicContact OD1-NH1 2.94Å; D661-R698 PolarHBondContact OD1-NH1 3.3Å
662E82.1Confident90.8Very high95 Ų9547.4 Ų47.444%0.44427%0.268SS..Hα-helixtrans-61.3-53.1174.9-170.6-148.7136.400111.9H635 T660 S665H635-E662 IonicContact CD2-OE1 2.85Å; H635-E662 PolarHBondContact CD2-OE1 3.4Å; H635-E662 IonicContact CD2-OE2 3.97Å; H635-E662 IonicContact NE2-OE1 2.69Å; H635-E662 PolarHBondContact NE2-OE1 2.95Å; H635-E662 IonicContact NE2-OE2 3.2Å; H635-E662 PolarHBondContact NE2-OE2 3.26Å; T660-E662 PolarHBondContact O-N 3.25Å; E662-S665 WeakPolarHBondContact O-CB 3.44Å; E662-S665 PolarHBondContact O-N 2.85Å; E662-S665 PolarHBondContact O-OG 3.4Å
663R87.6Confident90.6Very high48 Ų4850.2 Ų50.218%0.18128%0.281CS..Hα-helixtrans-75.2-30.9-178.3-66.8177.3173.9-175.25.1111.9S656 D658 T660 S665 R666S656-R663 PolarHBondContact OG-NH1 3.09Å; D658-R663 WeakPolarHBondContact OD1-CD 2.96Å; D658-R663 WeakPolarHBondContact OD2-CD 3.34Å; D658-R663 IonicContact OD2-CZ 3.89Å; D658-R663 IonicContact OD2-NE 3.8Å; D658-R663 IonicContact OD2-NH1 3.81Å; D658-R663 PolarHBondContact OD2-NH1 3.22Å; T660-R663 PolarHBondContact O-N 3.34Å; T660-R663 PolarHBondContact OG1-N 2.93Å; R663-S665 VanDerWaalsContact C-N 3.27Å; R663-S665 PolarHBondContact O-N 2.85Å; R663-R666 VanDerWaalsContact O-CB 3.27Å; R663-R666 WeakPolarHBondContact O-CB 3.38Å; R663-R666 WeakPolarHBondContact O-CD 3.37Å; R663-R666 WeakPolarHBondContact O-CG 3.45Å; R663-R666 PolarHBondContact O-N 3.26Å
664L90.9Very high90.8Very high14 Ų1449.9 Ų49.97%0.07328%0.276CS..Hα-helixtrans-58.8-37.6168.3-80.1169.1000112.3V657 D658 T660 R666 L667 A695 F699 I715V657-L664 HydrophobicContact CG1-CD2 4.4Å; D658-L664 WeakPolarHBondContact O-CG 3.48Å; T660-L664 WeakPolarHBondContact O-CB 3.41Å; T660-L664 WeakPolarHBondContact O-CG 3.46Å; T660-L664 PolarHBondContact O-N 3.47Å; L664-R666 PolarHBondContact O-N 2.68Å; L664-R666 VanDerWaalsContact O-N 3.09Å; L664-L667 HydrophobicContact CD2-CD1 4.34Å; L664-L667 VanDerWaalsContact O-CB 3.3Å; L664-L667 WeakPolarHBondContact O-CB 3.27Å; L664-L667 WeakPolarHBondContact O-CG 3.36Å; L664-L667 PolarHBondContact O-N 2.96Å; L664-L667 VanDerWaalsContact O-N 3.1Å; L664-A695 HydrophobicContact CD2-CB 3.64Å; L664-F699 HydrophobicContact CD1-CE2 4.05Å; L664-I715 HydrophobicContact CD2-CD1 4.12Å; L664-I715 HydrophobicContact CD2-CG1 4.39Å
665S92.8Very high90.6Very high58 Ų5852.6 Ų52.641%0.40630%0.295SS..G310 helixtrans-61.2-20.1-179.781.40000113.7D661 E662 R663 L667 D668 W669D661-S665 WeakPolarHBondContact O-CB 3.38Å; D661-S665 PolarHBondContact O-N 3.45Å; E662-S665 WeakPolarHBondContact O-CB 3.44Å; E662-S665 PolarHBondContact O-N 2.85Å; E662-S665 PolarHBondContact O-OG 3.4Å; R663-S665 VanDerWaalsContact C-N 3.27Å; R663-S665 PolarHBondContact O-N 2.85Å; S665-L667 PolarHBondContact O-N 2.82Å; S665-D668 WeakPolarHBondContact O-CA 3.22Å; S665-D668 PolarHBondContact O-N 2.96Å; S665-W669 PolarHBondContact O-N 3.35Å
666R93.9Very high90.3Very high10 Ų1056 Ų564%0.03832%0.319CS..G310 helixtrans-58.1-33.4175.2-58.4177.1179178.8-2.4112.1S656 R663 L664 D668 W669 L722S656-R666 PolarHBondContact O-NH1 2.86Å; R663-R666 VanDerWaalsContact O-CB 3.27Å; R663-R666 WeakPolarHBondContact O-CB 3.38Å; R663-R666 WeakPolarHBondContact O-CD 3.37Å; R663-R666 WeakPolarHBondContact O-CG 3.45Å; R663-R666 PolarHBondContact O-N 3.26Å; L664-R666 PolarHBondContact O-N 2.68Å; L664-R666 VanDerWaalsContact O-N 3.09Å; R666-D668 PolarHBondContact O-N 2.95Å; R666-W669 HydrophobicContact CB-CD2 4.3Å; R666-W669 HydrophobicContact CB-CH2 4.31Å; R666-W669 HydrophobicContact CB-CZ2 3.98Å; R666-W669 HydrophobicContact CG-CH2 4.13Å; R666-W669 HydrophobicContact CG-CZ2 3.58Å; R666-W669 WeakPolarHBondContact O-CB 3.29Å; R666-W669 PolarHBondContact O-N 3.15Å; R666-L722 HydrophobicContact CB-CD2 4.43Å
667L96.7Very high90.3Very high6 Ų654.9 Ų54.93%0.03131%0.311CS..G310 helixtrans-62.7-23.4176.8-61.9-177.3000112.9V657 L664 S665 R674 I715 K718 A719 L722V657-L667 HydrophobicContact CG1-CD1 4Å; V657-L667 HydrophobicContact CG1-CD2 4.1Å; V657-L667 HydrophobicContact CG1-CG 3.91Å; V657-L667 HydrophobicContact CG2-CD2 4.33Å; L664-L667 HydrophobicContact CD2-CD1 4.34Å; L664-L667 VanDerWaalsContact O-CB 3.3Å; L664-L667 WeakPolarHBondContact O-CB 3.27Å; L664-L667 WeakPolarHBondContact O-CG 3.36Å; L664-L667 PolarHBondContact O-N 2.96Å; L664-L667 VanDerWaalsContact O-N 3.1Å; S665-L667 PolarHBondContact O-N 2.82Å; L667-R674 PolarHBondContact O-NH2 3.28Å; L667-I715 HydrophobicContact CD1-CB 4.43Å; L667-I715 HydrophobicContact CD1-CG1 4.48Å; L667-I715 HydrophobicContact CD1-CG2 3.95Å; L667-K718 HydrophobicContact CB-CB 3.89Å; L667-K718 HydrophobicContact CB-CD 4.09Å; L667-K718 HydrophobicContact CD1-CB 4.33Å; L667-K718 HydrophobicContact CD2-CB 4.41Å; L667-K718 HydrophobicContact CG-CB 4.45Å; L667-A719 HydrophobicContact CD2-CB 3.92Å; L667-L722 HydrophobicContact CD2-CD2 4.04Å
668D95.2Very high90.4Very high95 Ų9557 Ų5751%0.50832%0.324SS..G310 helixtrans-105.410-177.5-72-49.9000113.4S665 R666 S670 K718S665-D668 WeakPolarHBondContact O-CA 3.22Å; S665-D668 PolarHBondContact O-N 2.96Å; R666-D668 PolarHBondContact O-N 2.95Å; D668-S670 PolarHBondContact O-N 2.81Å; D668-K718 WeakPolarHBondContact OD1-CE 3.43Å; D668-K718 IonicContact OD1-NZ 2.71Å; D668-K718 PolarHBondContact OD1-NZ 3.34Å; D668-K718 IonicContact OD2-NZ 3.28Å; D668-K718 PolarHBondContact OD2-NZ 3.08Å
669W95.7Very high90.4Very high37 Ų3757.7 Ų57.714%0.1433%0.333CS..  trans-55.7138174.6-78.2-9.7000112.8W638 M655 S665 R666 Q673 R674 L677 L722 L726W638-W669 AromaticContact CD1-CH2 3.6Å; W638-W669 AromaticContact CD1-CZ2 3.99Å; W638-W669 AromaticContact CE2-CH2 3.97Å; W638-W669 AromaticContact NE1-CH2 3.24Å; W638-W669 AromaticContact NE1-CZ2 3.67Å; M655-W669 HydrophobicContact CE-CH2 4.15Å; M655-W669 HydrophobicContact CE-CZ3 3.99Å; S665-W669 PolarHBondContact O-N 3.35Å; R666-W669 HydrophobicContact CB-CD2 4.3Å; R666-W669 HydrophobicContact CB-CH2 4.31Å; R666-W669 HydrophobicContact CB-CZ2 3.98Å; R666-W669 HydrophobicContact CG-CH2 4.13Å; R666-W669 HydrophobicContact CG-CZ2 3.58Å; R666-W669 WeakPolarHBondContact O-CB 3.29Å; R666-W669 PolarHBondContact O-N 3.15Å; W669-Q673 HydrophobicContact CB-CB 4.04Å; W669-Q673 HydrophobicContact CD2-CB 4.49Å; W669-Q673 HydrophobicContact CG-CB 4.16Å; W669-R674 HydrophobicContact CB-CG 4.29Å; W669-R674 PolarHBondContact O-NE 2.65Å; W669-R674 PolarHBondContact O-NH2 3.19Å; W669-L677 HydrophobicContact CH2-CD2 4.19Å; W669-L677 HydrophobicContact CZ3-CD2 3.65Å; W669-L722 HydrophobicContact CE3-CD1 4.32Å; W669-L726 HydrophobicContact CZ3-CD1 4.46Å
670S90.4Very high90.6Very high57 Ų5755.1 Ų55.140%0.39932%0.322SS..  trans-63.4160.7173.766.10000112D668 A672 Q673 R674D668-S670 PolarHBondContact O-N 2.81Å; S670-A672 PolarHBondContact O-N 3.46Å; S670-Q673 PolarHBondContact O-N 2.91Å; S670-Q673 WeakPolarHBondContact OG-CG 3.44Å; S670-Q673 PolarHBondContact OG-N 3.15Å; S670-Q673 PolarHBondContact OG-OE1 3.13Å; S670-R674 WeakPolarHBondContact O-CG 3.46Å; S670-R674 PolarHBondContact O-N 3.35Å; S670-R674 VanDerWaalsContact O-N 3.11Å
671T89.6Confident91.1Very high113 Ų11353.2 Ų53.269%0.69331%0.309SS*.Hα-helixtrans-54.9-40.6173.9-53.60000111.8Q673 R674 T675T671-Q673 PolarHBondContact O-N 3.12Å; T671-R674 PolarHBondContact O-N 3.28Å; T671-T675 WeakPolarHBondContact O-CB 3.47Å; T671-T675 PolarHBondContact O-N 2.92Å; T671-T675 PolarHBondContact O-OG1 3.25Å
672A86.1Confident91.4Very high72 Ų7253.9 Ų53.960%0.59531%0.311SS*.Hα-helixtrans-61-43.4178.700000112.6S670 T675 S676S670-A672 PolarHBondContact O-N 3.46Å; A672-T675 PolarHBondContact O-N 2.8Å; A672-S676 WeakPolarHBondContact O-CB 3.45Å; A672-S676 PolarHBondContact O-N 3Å
673Q90.4Very high91.5Very high96 Ų9657.3 Ų57.345%0.44933%0.327SS..Hα-helixtrans-64-42.3176.5-73167-60.900111.7W669 S670 T671 S676 L677W669-Q673 HydrophobicContact CB-CB 4.04Å; W669-Q673 HydrophobicContact CD2-CB 4.49Å; W669-Q673 HydrophobicContact CG-CB 4.16Å; S670-Q673 PolarHBondContact O-N 2.91Å; S670-Q673 WeakPolarHBondContact OG-CG 3.44Å; S670-Q673 PolarHBondContact OG-N 3.15Å; S670-Q673 PolarHBondContact OG-OE1 3.13Å; T671-Q673 PolarHBondContact O-N 3.12Å; Q673-S676 PolarHBondContact O-N 2.94Å; Q673-L677 PolarHBondContact O-N 2.71Å; Q673-L677 VanDerWaalsContact O-N 3.08Å
674R94.9Very high91.2Very high26 Ų2656.2 Ų56.210%0.09833%0.325CS..Hα-helixtrans-63.5-46.5176.5-62.5174.7-161.2-138.6-13.1111.4L667 W669 S670 T671 S676 L677 V678 L722 D725 L726L667-R674 PolarHBondContact O-NH2 3.28Å; W669-R674 HydrophobicContact CB-CG 4.29Å; W669-R674 PolarHBondContact O-NE 2.65Å; W669-R674 PolarHBondContact O-NH2 3.19Å; S670-R674 WeakPolarHBondContact O-CG 3.46Å; S670-R674 PolarHBondContact O-N 3.35Å; S670-R674 VanDerWaalsContact O-N 3.11Å; T671-R674 PolarHBondContact O-N 3.28Å; R674-S676 VanDerWaalsContact C-N 3.34Å; R674-S676 PolarHBondContact O-N 3.03Å; R674-L677 PolarHBondContact O-N 3.38Å; R674-V678 WeakPolarHBondContact O-CG2 3.38Å; R674-V678 PolarHBondContact O-N 3Å; R674-L722 HydrophobicContact CG-CD1 4.13Å; R674-D725 IonicContact CZ-OD2 2.68Å; R674-D725 IonicContact NH1-OD2 3.5Å; R674-D725 PolarHBondContact NH1-OD2 2.99Å; R674-L726 HydrophobicContact CB-CD2 3.97Å; R674-L726 HydrophobicContact CG-CD2 4.37Å
675T89.8Confident91.1Very high88 Ų8857.9 Ų57.954%0.5435%0.346SS..Hα-helixtrans-62.1-41.5177.9-58.60000111.9T671 A672 L677 V678 A679T671-T675 WeakPolarHBondContact O-CB 3.47Å; T671-T675 PolarHBondContact O-N 2.92Å; T671-T675 PolarHBondContact O-OG1 3.25Å; A672-T675 PolarHBondContact O-N 2.8Å; T675-L677 VanDerWaalsContact C-N 3.34Å; T675-L677 PolarHBondContact O-N 3.36Å; T675-V678 PolarHBondContact O-N 2.91Å; T675-A679 PolarHBondContact O-N 3.22Å
676S89Confident91Very high70 Ų7055.1 Ų55.149%0.4933%0.327SS..Hα-helixtrans-61-42.2175.9175.40000111.8A672 Q673 R674 A679 A680A672-S676 WeakPolarHBondContact O-CB 3.45Å; A672-S676 PolarHBondContact O-N 3Å; Q673-S676 PolarHBondContact O-N 2.94Å; R674-S676 VanDerWaalsContact C-N 3.34Å; R674-S676 PolarHBondContact O-N 3.03Å; S676-A679 PolarHBondContact O-N 3.16Å; S676-A680 PolarHBondContact O-N 2.76Å
677L93.3Very high90.9Very high5 Ų556.1 Ų56.13%0.02634%0.34CS..Hα-helixtrans-64.8-41.6175.6-178.551.9000112.5W638 L642 M655 W669 Q673 R674 T675 A679 A680 M681 I688 L726W638-L677 HydrophobicContact CB-CD1 3.44Å; W638-L677 VanDerWaalsContact CB-CD1 3.44Å; W638-L677 HydrophobicContact CD2-CD1 4.03Å; W638-L677 HydrophobicContact CD2-CD2 4.29Å; W638-L677 HydrophobicContact CE3-CD1 4.05Å; W638-L677 HydrophobicContact CG-CD1 3.81Å; W638-L677 HydrophobicContact CG-CD2 4.32Å; L642-L677 HydrophobicContact CD1-CD1 3.99Å; M655-L677 HydrophobicContact CE-CD2 3.68Å; W669-L677 HydrophobicContact CH2-CD2 4.19Å; W669-L677 HydrophobicContact CZ3-CD2 3.65Å; Q673-L677 PolarHBondContact O-N 2.71Å; Q673-L677 VanDerWaalsContact O-N 3.08Å; R674-L677 PolarHBondContact O-N 3.38Å; T675-L677 VanDerWaalsContact C-N 3.34Å; T675-L677 PolarHBondContact O-N 3.36Å; L677-A679 VanDerWaalsContact C-N 3.34Å; L677-A679 PolarHBondContact O-N 3.42Å; L677-A680 PolarHBondContact O-N 3.34Å; L677-M681 HydrophobicContact CG-CE 4.45Å; L677-M681 WeakPolarHBondContact O-CG 3.28Å; L677-M681 PolarHBondContact O-N 3.44Å; L677-I688 HydrophobicContact CD1-CD1 4.08Å; L677-I688 HydrophobicContact CD2-CD1 4Å; L677-I688 HydrophobicContact CG-CD1 4.25Å; L677-L726 HydrophobicContact CB-CD2 4.24Å; L677-L726 HydrophobicContact CD2-CD1 3.83Å; L677-L726 HydrophobicContact CD2-CD2 4.04Å; L677-L726 HydrophobicContact CG-CD2 4.29Å
678V95Very high90.9Very high45 Ų4556.1 Ų56.127%0.27334%0.34SS..Hα-helixtrans-61.7-42.9175.8173.20000111.4R674 T675 A680 M681 I682 L726R674-V678 WeakPolarHBondContact O-CG2 3.38Å; R674-V678 PolarHBondContact O-N 3Å; T675-V678 PolarHBondContact O-N 2.91Å; V678-A680 VanDerWaalsContact C-N 3.35Å; V678-A680 PolarHBondContact O-N 3.05Å; V678-M681 HydrophobicContact CB-CE 4.31Å; V678-M681 HydrophobicContact CG2-CE 3.91Å; V678-M681 PolarHBondContact O-N 3.4Å; V678-I682 HydrophobicContact CG1-CD1 4.04Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 3.43Å; V678-I682 VanDerWaalsContact O-N 3.13Å; V678-L726 HydrophobicContact CG2-CD2 3.96Å
679A90.7Very high90.9Very high39 Ų3952.2 Ų52.232%0.32232%0.32SS..Hα-helixtrans-59.6-4617500000111.4T675 S676 L677 M681 I682 E683T675-A679 PolarHBondContact O-N 3.22Å; S676-A679 PolarHBondContact O-N 3.16Å; L677-A679 VanDerWaalsContact C-N 3.34Å; L677-A679 PolarHBondContact O-N 3.42Å; A679-M681 VanDerWaalsContact C-N 3.35Å; A679-M681 PolarHBondContact O-N 3.42Å; A679-I682 PolarHBondContact O-N 2.85Å; A679-I682 VanDerWaalsContact O-N 3.12Å; A679-E683 WeakPolarHBondContact O-CG 3.41Å; A679-E683 PolarHBondContact O-N 3.03Å
680A89.6Confident91Very high5 Ų550.7 Ų50.74%0.04132%0.315CS..Hα-helixtrans-62.3-37.9178.200000113.2P639 L642 S676 L677 V678 I682 E683 T684P639-A680 HydrophobicContact CB-CB 4.14Å; P639-A680 HydrophobicContact CG-CB 3.99Å; L642-A680 HydrophobicContact CD1-CB 3.88Å; S676-A680 PolarHBondContact O-N 2.76Å; L677-A680 PolarHBondContact O-N 3.34Å; V678-A680 VanDerWaalsContact C-N 3.35Å; V678-A680 PolarHBondContact O-N 3.05Å; A680-I682 VanDerWaalsContact C-N 3.34Å; A680-E683 PolarHBondContact O-N 3Å; A680-T684 WeakPolarHBondContact O-CB 3.2Å; A680-T684 VanDerWaalsContact O-CG2 3.31Å; A680-T684 WeakPolarHBondContact O-CG2 3.5Å; A680-T684 PolarHBondContact O-N 3.44Å; A680-T684 PolarHBondContact O-OG1 2.78Å
681M95.3Very high91.3Very high23 Ų2348 Ų4811%0.11330%0.296CS..Hα-helixtrans-63.4-39.2173.7-71.5-173.2-69.600112.2L642 L677 V678 A679 G685 V686 I688 L726L642-M681 HydrophobicContact CD1-CB 4.37Å; L642-M681 HydrophobicContact CD1-CG 3.65Å; L642-M681 HydrophobicContact CD2-CG 4.42Å; L677-M681 HydrophobicContact CG-CE 4.45Å; L677-M681 WeakPolarHBondContact O-CG 3.28Å; L677-M681 PolarHBondContact O-N 3.44Å; V678-M681 HydrophobicContact CB-CE 4.31Å; V678-M681 HydrophobicContact CG2-CE 3.91Å; V678-M681 PolarHBondContact O-N 3.4Å; A679-M681 VanDerWaalsContact C-N 3.35Å; A679-M681 PolarHBondContact O-N 3.42Å; M681-G685 WeakPolarHBondContact O-CA 3.28Å; M681-G685 PolarHBondContact O-N 3.34Å; M681-V686 WeakPolarHBondContact CA-O 3.47Å; M681-V686 WeakPolarHBondContact CB-O 3.46Å; M681-V686 WeakPolarHBondContact CG-O 3.31Å; M681-V686 PolarHBondContact O-N 3.37Å; M681-I688 HydrophobicContact CG-CD1 4.4Å; M681-I688 HydrophobicContact CG-CG1 4.36Å; M681-I688 HydrophobicContact SD-CB 3.83Å; M681-I688 HydrophobicContact SD-CD1 3.79Å; M681-I688 HydrophobicContact SD-CG1 3.59Å; M681-I688 VanDerWaalsContact SD-CG1 3.59Å; M681-L726 WeakPolarHBondContact CE-O 3.31Å
682I89.7Confident91.6Very high130 Ų13043.4 Ų43.467%0.66727%0.268SS*.Hα-helixtrans-68.5-45.6177.8-66.8167.4000110.7V678 A679 A680 G685V678-I682 HydrophobicContact CG1-CD1 4.04Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 3.43Å; V678-I682 VanDerWaalsContact O-N 3.13Å; A679-I682 PolarHBondContact O-N 2.85Å; A679-I682 VanDerWaalsContact O-N 3.12Å; A680-I682 VanDerWaalsContact C-N 3.34Å; I682-G685 PolarHBondContact O-N 3.48Å
683E84.8Confident92.1Very high166 Ų16640 Ų4078%0.77624%0.24SC*.Hα-helixtrans-65.1-41.7-178.4-74.6173.9-176.800112.5A679 A680A679-E683 WeakPolarHBondContact O-CG 3.41Å; A679-E683 PolarHBondContact O-N 3.03Å; A680-E683 PolarHBondContact O-N 3Å
684T82.2Confident92.2Very high25 Ų2536 Ų3615%0.15322%0.222CC..Hα-helixtrans-83-21-179.3580000113.4L642 V643 A680 V686L642-T684 HydrophobicContact CB-CG2 3.93Å; V643-T684 HydrophobicContact CG2-CG2 3.67Å; A680-T684 WeakPolarHBondContact O-CB 3.2Å; A680-T684 VanDerWaalsContact O-CG2 3.31Å; A680-T684 WeakPolarHBondContact O-CG2 3.5Å; A680-T684 PolarHBondContact O-N 3.44Å; A680-T684 PolarHBondContact O-OG1 2.78Å; T684-V686 PolarHBondContact O-N 2.85Å; T684-V686 PolarHBondContact OG1-N 3.4Å
685G87.5Confident92.2Very high49 Ų4934.7 Ų34.751%0.50522%0.218SC..THydrogen-bonded Turntrans67.718.3-170.900000113.8M681 I682M681-G685 WeakPolarHBondContact O-CA 3.28Å; M681-G685 PolarHBondContact O-N 3.34Å; I682-G685 PolarHBondContact O-N 3.48Å
686V90.4Very high92.4Very high1 Ų131.1 Ų31.11%0.00620%0.195CC..  trans-106.9119.5175.9-179.90000109L642 A645 K646 V653 M681 T684L642-V686 HydrophobicContact CB-CB 4.42Å; L642-V686 HydrophobicContact CD2-CB 4.05Å; L642-V686 HydrophobicContact CD2-CG1 3.76Å; A645-V686 HydrophobicContact CB-CG1 4.05Å; K646-V686 HydrophobicContact CB-CG2 3.6Å; K646-V686 HydrophobicContact CD-CG2 3.75Å; K646-V686 HydrophobicContact CG-CG2 4.19Å; V653-V686 HydrophobicContact CG2-CG1 4.06Å; M681-V686 WeakPolarHBondContact CA-O 3.47Å; M681-V686 WeakPolarHBondContact CB-O 3.46Å; M681-V686 WeakPolarHBondContact CG-O 3.31Å; M681-V686 PolarHBondContact O-N 3.37Å; T684-V686 PolarHBondContact O-N 2.85Å; T684-V686 PolarHBondContact OG1-N 3.4Å
687G93.1Very high92.5Very high30 Ų3029.5 Ų29.531%0.30918%0.178SC..BIsolated β-bridgetrans-90.2167.8-17800000113.9D651 F652 V653D651-G687 PolarHBondContact O-N 3.36Å; F652-G687 CarbonylContact C-O 3.51Å; F652-G687 WeakPolarHBondContact CA-O 3.26Å; F652-G687 VanDerWaalsContact CB-O 3.24Å; F652-G687 WeakPolarHBondContact CB-O 3.43Å; V653-G687 PolarHBondContact N-O 3.41Å
688I96.3Very high92.4Very high6 Ų634.7 Ų34.73%0.03120%0.197CC..  trans-118.787.7167-56.9171.6000107.8W638 L642 V653 M655 L677 M681 I728W638-I688 HydrophobicContact CE3-CD1 3.78Å; W638-I688 HydrophobicContact CH2-CD1 4.15Å; W638-I688 HydrophobicContact CZ3-CD1 3.47Å; W638-I688 VanDerWaalsContact CZ3-CD1 3.47Å; W638-I688 HydrophobicContact CZ3-CG1 4.27Å; L642-I688 HydrophobicContact CD2-CG1 4.35Å; V653-I688 WeakPolarHBondContact O-CA 3.38Å; V653-I688 WeakPolarHBondContact O-CG2 3.38Å; M655-I688 HydrophobicContact CB-CG2 3.74Å; M655-I688 HydrophobicContact CE-CD1 4.06Å; L677-I688 HydrophobicContact CD1-CD1 4.08Å; L677-I688 HydrophobicContact CD2-CD1 4Å; L677-I688 HydrophobicContact CG-CD1 4.25Å; M681-I688 HydrophobicContact CG-CD1 4.4Å; M681-I688 HydrophobicContact CG-CG1 4.36Å; M681-I688 HydrophobicContact SD-CB 3.83Å; M681-I688 HydrophobicContact SD-CD1 3.79Å; M681-I688 HydrophobicContact SD-CG1 3.59Å; M681-I688 VanDerWaalsContact SD-CG1 3.59Å; I688-I728 HydrophobicContact CB-CG1 4.37Å; I688-I728 HydrophobicContact CG2-CD1 3.93Å; I688-I728 HydrophobicContact CG2-CG1 3.9Å; I688-I728 VanDerWaalsContact O-CG1 3.26Å; I688-I728 WeakPolarHBondContact O-CG1 3.35Å
689P95.4Very high92.4Very high14 Ų1434 Ų349%0.09119%0.19CC..  trans-81.5-23.8-173.632.1-37.3000113.1F652 R729 T730F652-P689 HydrophobicContact CB-CG 3.86Å; F652-P689 HydrophobicContact CD1-CG 4.49Å; F652-P689 HydrophobicContact CD2-CG 3.31Å; F652-P689 HydrophobicContact CE2-CG 3.93Å; F652-P689 HydrophobicContact CG-CG 3.64Å; P689-R729 VanDerWaalsContact CB-NH2 3.32Å; P689-R729 PolarHBondContact O-N 3.02Å; P689-T730 PolarHBondContact O-N 3.17Å
690S96.7Very high92.6Very high4 Ų432.5 Ų32.53%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-132.5155-176.754.50000113.3E654 M655 T730E654-S690 WeakPolarHBondContact CG-OG 3.36Å; E654-S690 VanDerWaalsContact OE2-CB 3.26Å; E654-S690 WeakPolarHBondContact OE2-CB 3.41Å; E654-S690 PolarHBondContact OE2-OG 2.79Å; M655-S690 PolarHBondContact N-O 2.9Å; S690-T730 CarbonylContact C-O 3.47Å; S690-T730 WeakPolarHBondContact CA-O 3.32Å
691M97.6Very high92.9Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-128.6120.3172.2179.1-169.7-59.200110.6M655 V657 L693 A719 L722 A723 I728 T730 I731 Q732M655-M691 HydrophobicContact CB-CB 4.46Å; M655-M691 HydrophobicContact CB-CG 4.41Å; M655-M691 HydrophobicContact CG-CG 4.44Å; M655-M691 CarbonylContact O-C 3.59Å; M655-M691 WeakPolarHBondContact O-CA 3.4Å; M655-M691 WeakPolarHBondContact O-CG 3.42Å; M655-M691 HydrophobicContact SD-CE 4.01Å; V657-M691 HydrophobicContact CG2-CG 4.05Å; V657-M691 HydrophobicContact CG2-SD 3.82Å; M691-L693 PolarHBondContact O-N 3.47Å; M691-A719 HydrophobicContact SD-CB 4.11Å; M691-L722 HydrophobicContact CE-CB 4.17Å; M691-L722 HydrophobicContact CE-CD2 3.65Å; M691-L722 HydrophobicContact CE-CG 3.88Å; M691-A723 HydrophobicContact CE-CB 4.46Å; M691-I728 HydrophobicContact CB-CD1 4.28Å; M691-I728 HydrophobicContact CB-CG2 4.01Å; M691-I728 HydrophobicContact CE-CD1 3.57Å; M691-T730 PolarHBondContact N-O 2.78Å; M691-I731 CarbonylContact O-C 3.51Å; M691-I731 WeakPolarHBondContact O-CA 3.44Å; M691-Q732 PolarHBondContact O-N 2.85Å
692C95.7Very high92.9Very high18 Ų1831.5 Ų31.512%0.12217%0.172CC..EExtended strand (participates in β ladder)trans-81112170.2177.10000110.5E654 M655 V657 S694 Q732E654-C692 HydrophobicContact CG-CB 4.42Å; E654-C692 WeakPolarHBondContact OE1-CB 3.28Å; M655-C692 PolarHBondContact O-N 2.93Å; V657-C692 PolarHBondContact N-O 3.11Å; C692-S694 PolarHBondContact O-N 3.13Å; C692-Q732 PolarHBondContact SG-OE1 2.9Å
693L96.7Very high93.2Very high0 Ų025.3 Ų25.30%014%0.14CC..  trans-98.960.9-178.5-169.564000111.3V657 M691 A695 I715 M716 A719 I731 Q732 L733V657-L693 HydrophobicContact CB-CD1 3.82Å; V657-L693 HydrophobicContact CG1-CD1 3.72Å; V657-L693 CarbonylContact O-C 3.38Å; M691-L693 PolarHBondContact O-N 3.47Å; L693-A695 HydrophobicContact CD1-CB 4.4Å; L693-A695 PolarHBondContact O-N 3.32Å; L693-I715 HydrophobicContact CD1-CG2 3.87Å; L693-I715 HydrophobicContact CD2-CG2 4.28Å; L693-I715 HydrophobicContact CG-CG2 4.31Å; L693-M716 HydrophobicContact CD2-CE 4.18Å; L693-M716 HydrophobicContact CD2-SD 4.25Å; L693-A719 HydrophobicContact CD1-CB 3.89Å; L693-A719 HydrophobicContact CD2-CB 3.67Å; L693-A719 HydrophobicContact CG-CB 4.41Å; L693-I731 HydrophobicContact CB-CG2 3.77Å; L693-I731 HydrophobicContact CD2-CG2 4.06Å; L693-Q732 PolarHBondContact N-O 3.36Å; L693-L733 HydrophobicContact CB-CD2 4.25Å; L693-L733 HydrophobicContact CD2-CD2 4.12Å
694S93Very high93.6Very high11 Ų1123.5 Ų23.58%0.07713%0.126CC..G310 helixtrans-75.1-3.5-179.556.90000114.1V657 D658 C692 H696 R697V657-S694 PolarHBondContact O-N 2.82Å; V657-S694 VanDerWaalsContact O-N 3.1Å; D658-S694 VanDerWaalsContact CA-OG 3.29Å; D658-S694 WeakPolarHBondContact CA-OG 3.4Å; D658-S694 WeakPolarHBondContact CB-OG 3.37Å; C692-S694 PolarHBondContact O-N 3.13Å; S694-H696 PolarHBondContact O-N 3.05Å; S694-R697 WeakPolarHBondContact O-CB 3.3Å; S694-R697 WeakPolarHBondContact O-CG 3.48Å; S694-R697 PolarHBondContact O-N 2.93Å
695A94Very high94.2Very high0 Ų026.4 Ų26.40%014%0.14CC..G310 helixtrans-50.8-26.1168.100000113.7V657 D658 L664 L693 R697 R698 F699 I715V657-A695 PolarHBondContact O-N 2.86Å; D658-A695 WeakPolarHBondContact O-CB 3.24Å; L664-A695 HydrophobicContact CD2-CB 3.64Å; L693-A695 HydrophobicContact CD1-CB 4.4Å; L693-A695 PolarHBondContact O-N 3.32Å; A695-R697 PolarHBondContact O-N 3.08Å; A695-R698 PolarHBondContact O-N 3.41Å; A695-F699 WeakPolarHBondContact O-CD2 3.25Å; A695-F699 PolarHBondContact O-N 3.28Å; A695-I715 HydrophobicContact CB-CG2 4.21Å
696H94.4Very high94.6Very high12 Ų1229 Ų296%0.05614%0.143CC..G310 helixtrans-68.4-5.1174.6-70156.9000114S694 F699 P700 F701 A712S694-H696 PolarHBondContact O-N 3.05Å; H696-F699 PolarHBondContact CD2-O 3.23Å; H696-F699 CarbonylContact O-C 3.6Å; H696-P700 WeakPolarHBondContact O-CA 3.49Å; H696-P700 VanDerWaalsContact O-CB 3.27Å; H696-P700 WeakPolarHBondContact O-CB 3.46Å; H696-P700 WeakPolarHBondContact O-CD 3.4Å; H696-F701 AromaticContact CE1-CE2 3.77Å; H696-F701 AromaticContact CE1-CZ 3.86Å; H696-A712 PolarHBondContact NE2-O 2.73Å; H696-A712 VanDerWaalsContact NE2-O 3.09Å
697R90.9Very high94.8Very high37 Ų3732.1 Ų32.114%0.1417%0.168CC..G310 helixtrans-59.3-53.1164.7-77-167.4175.4136.35110.6S694 A695 Y736 Y739 Y740 R844S694-R697 WeakPolarHBondContact O-CB 3.3Å; S694-R697 WeakPolarHBondContact O-CG 3.48Å; S694-R697 PolarHBondContact O-N 2.93Å; A695-R697 PolarHBondContact O-N 3.08Å; R697-Y736 WeakPolarHBondContact CA-OH 3.29Å; R697-Y736 HydrophobicContact CG-CE1 3.89Å; R697-Y736 HydrophobicContact CG-CE2 4.23Å; R697-Y736 VanDerWaalsContact CG-CZ 3.42Å; R697-Y736 WeakPolarHBondContact CG-OH 3.45Å; R697-Y736 PolarHBondContact N-OH 2.9Å; R697-Y739 HydrophobicContact CB-CD1 4.41Å; R697-Y739 HydrophobicContact CB-CG 4.4Å; R697-Y739 HydrophobicContact CG-CD1 4.39Å; R697-Y739 HydrophobicContact CG-CD2 4.42Å; R697-Y739 HydrophobicContact CG-CG 4.19Å; R697-Y740 HydrophobicContact CB-CE2 4.26Å; R697-Y740 WeakPolarHBondContact O-CD2 3.39Å; R697-R844 VanDerWaalsContact NH1-NH2 3.14Å
698R91.7Very high95Very high114 Ų11432 Ų3243%0.4316%0.162SC..THydrogen-bonded Turntrans-77.2-31.5177.4-176176.2177-162.50.7112.6E659 D661 A695 P700E659-R698 HydrophobicContact CB-CB 3.7Å; E659-R698 PolarHBondContact O-NH1 2.95Å; D661-R698 IonicContact OD1-NH1 2.94Å; D661-R698 PolarHBondContact OD1-NH1 3.3Å; A695-R698 PolarHBondContact O-N 3.41Å; R698-P700 WeakPolarHBondContact O-CD 3.18Å
699F94.8Very high94.9Very high30 Ų3034.1 Ų34.113%0.13217%0.169CC..SBendtrans-123.265.5-178.3-52.3-74.7000113L664 A695 H696 V708 R711 A712 I715L664-F699 HydrophobicContact CD1-CE2 4.05Å; A695-F699 WeakPolarHBondContact O-CD2 3.25Å; A695-F699 PolarHBondContact O-N 3.28Å; H696-F699 PolarHBondContact CD2-O 3.23Å; H696-F699 CarbonylContact O-C 3.6Å; F699-V708 HydrophobicContact CB-CG1 4.46Å; F699-V708 HydrophobicContact CD1-CG1 4.35Å; F699-R711 HydrophobicContact CD1-CB 4.08Å; F699-R711 HydrophobicContact CD1-CG 3.65Å; F699-R711 HydrophobicContact CE1-CG 3.89Å; F699-R711 HydrophobicContact CG-CG 4.03Å; F699-R711 HydrophobicContact CZ-CG 4.45Å; F699-A712 HydrophobicContact CB-CB 4.45Å; F699-A712 WeakPolarHBondContact O-CB 3.43Å; F699-I715 HydrophobicContact CB-CD1 3.83Å; F699-I715 HydrophobicContact CD2-CD1 3.37Å; F699-I715 HydrophobicContact CE2-CD1 4.08Å; F699-I715 HydrophobicContact CG-CD1 3.73Å
700P95.3Very high95Very high7 Ų738.4 Ų38.45%0.04519%0.188CC..  trans-78.9150.7-175.529.1-33.3000112.8H696 R698 G702 S703 D737 V738H696-P700 WeakPolarHBondContact O-CA 3.49Å; H696-P700 VanDerWaalsContact O-CB 3.27Å; H696-P700 WeakPolarHBondContact O-CB 3.46Å; H696-P700 WeakPolarHBondContact O-CD 3.4Å; R698-P700 WeakPolarHBondContact O-CD 3.18Å; P700-G702 VanDerWaalsContact C-N 3.26Å; P700-G702 PolarHBondContact O-N 3.12Å; P700-S703 PolarHBondContact O-N 3.21Å; P700-D737 WeakPolarHBondContact CB-O 3.44Å; P700-V738 HydrophobicContact CB-CG1 4.46Å; P700-V738 HydrophobicContact CG-CB 4.43Å; P700-V738 HydrophobicContact CG-CG1 4.09Å
701F95.7Very high95Very high8 Ų842.2 Ų42.24%0.03520%0.202CC..THydrogen-bonded Turntrans-65.2-26.9174.3-69.9-60.1000113.6H696 S703 R709 A712 R713 M716 F751 W757 A758H696-F701 AromaticContact CE1-CE2 3.77Å; H696-F701 AromaticContact CE1-CZ 3.86Å; F701-S703 VanDerWaalsContact C-N 3.33Å; F701-R709 WeakPolarHBondContact O-CD 3.25Å; F701-R709 WeakPolarHBondContact O-CG 3.44Å; F701-A712 HydrophobicContact CD1-CB 3.73Å; F701-A712 HydrophobicContact CE1-CB 3.83Å; F701-A712 HydrophobicContact CG-CB 4.41Å; F701-R713 HydrophobicContact CE1-CG 4.03Å; F701-M716 HydrophobicContact CE2-CE 4.06Å; F701-M716 HydrophobicContact CZ-CB 4.01Å; F701-M716 HydrophobicContact CZ-CE 4.14Å; F701-M716 HydrophobicContact CZ-CG 4.3Å; F701-F751 HydrophobicContact CB-CD2 4.15Å; F701-W757 HydrophobicContact CE1-CE3 4.25Å; F701-W757 HydrophobicContact CE1-CZ3 4.13Å; F701-W757 HydrophobicContact CZ-CE3 4.43Å; F701-W757 HydrophobicContact CZ-CZ3 4.23Å; F701-A758 HydrophobicContact CE2-CB 4.25Å; F701-A758 HydrophobicContact CZ-CB 4.15Å
702G94.5Very high94.9Very high0 Ų042.2 Ų42.20%020%0.202CC..THydrogen-bonded Turntrans-81.3-6.3-179.600000115P700 D737 V738 T747 R750P700-G702 VanDerWaalsContact C-N 3.26Å; P700-G702 PolarHBondContact O-N 3.12Å; G702-D737 WeakPolarHBondContact CA-O 3.4Å; G702-D737 PolarHBondContact N-O 2.94Å; G702-V738 VanDerWaalsContact C-CG1 3.45Å; G702-T747 VanDerWaalsContact CA-O 3.29Å; G702-T747 WeakPolarHBondContact CA-O 3.36Å; G702-T747 WeakPolarHBondContact O-CA 3.47Å; G702-T747 WeakPolarHBondContact O-CB 3.47Å; G702-T747 WeakPolarHBondContact O-CG2 3.36Å; G702-R750 PolarHBondContact O-NE 2.86Å; G702-R750 VanDerWaalsContact O-NE 3.11Å; G702-R750 PolarHBondContact O-NH2 3.3Å
703S95.6Very high95Very high0 Ų044.9 Ų44.90%021%0.209CC..  trans-50.2143-175.8-179.50000112.1P700 F701 D705 R709 E741 R750P700-S703 PolarHBondContact O-N 3.21Å; F701-S703 VanDerWaalsContact C-N 3.33Å; S703-D705 VanDerWaalsContact C-N 3.25Å; S703-D705 PolarHBondContact OG-N 3.23Å; S703-D705 VanDerWaalsContact OG-N 3.14Å; S703-R709 WeakPolarHBondContact O-CD 3.26Å; S703-R709 PolarHBondContact O-NH1 3.5Å; S703-E741 WeakPolarHBondContact CA-OE1 3.48Å; S703-E741 WeakPolarHBondContact CB-OE1 3.3Å; S703-E741 PolarHBondContact OG-OE1 3.12Å; S703-R750 PolarHBondContact O-NE 2.75Å
704R94.3Very high95.1Very high127 Ų12749 Ų4948%0.47923%0.229SC..SBendtrans-68.1-28.4171.6-67.8173-179.4151.63.6111.6R709 E741 D742 D744 T747R704-R709 VanDerWaalsContact C-NH1 3.26Å; R704-R709 PolarHBondContact O-NH1 3.42Å; R704-E741 WeakPolarHBondContact CB-OE2 3.5Å; R704-E741 WeakPolarHBondContact CG-OE2 3.45Å; R704-E741 PolarHBondContact N-OE2 3.27Å; R704-D742 PolarHBondContact NH2-O 3.11Å; R704-D744 IonicContact CZ-OD2 2.64Å; R704-D744 IonicContact NE-OD2 3.64Å; R704-D744 PolarHBondContact NE-OD2 3.11Å; R704-D744 IonicContact NH2-OD2 3.17Å; R704-D744 PolarHBondContact NH2-OD2 3.4Å; R704-T747 HydrophobicContact CG-CG2 4.49Å
705D95.2Very high95.3Very high86 Ų8648.6 Ų48.646%0.4623%0.225SC..  trans-78.7122178-172.9-10.3000111.5S703 A707 V708 R709S703-D705 VanDerWaalsContact C-N 3.25Å; S703-D705 PolarHBondContact OG-N 3.23Å; S703-D705 VanDerWaalsContact OG-N 3.14Å; D705-A707 VanDerWaalsContact C-N 3.31Å; D705-A707 PolarHBondContact O-N 2.99Å; D705-A707 WeakPolarHBondContact OD1-CB 3.5Å; D705-A707 PolarHBondContact OD1-N 3.4Å; D705-V708 HydrophobicContact CB-CB 4.08Å; D705-V708 HydrophobicContact CB-CG2 3.77Å; D705-V708 PolarHBondContact O-N 2.98Å; D705-R709 WeakPolarHBondContact O-CG 3.22Å; D705-R709 PolarHBondContact O-N 2.89Å; D705-R709 VanDerWaalsContact O-N 3.16Å; D705-R709 PolarHBondContact O-NH1 2.92Å
706D94.6Very high95.5Very high105 Ų10548.6 Ų48.656%0.56123%0.225SC*.Hα-helixtrans-65.1-33.3178.2-164.354.5000112.9V708 R709 Q710D706-V708 VanDerWaalsContact C-N 3.34Å; D706-V708 PolarHBondContact O-N 3.48Å; D706-R709 VanDerWaalsContact CA-NH2 3.35Å; D706-R709 VanDerWaalsContact CB-NH2 3.31Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 IonicContact OD1-CZ 3.42Å; D706-R709 IonicContact OD1-NE 2.83Å; D706-R709 IonicContact OD1-NH2 3.35Å; D706-R709 PolarHBondContact OD1-NH2 3.31Å; D706-Q710 WeakPolarHBondContact O-CB 3.36Å; D706-Q710 PolarHBondContact O-N 3.35Å
707A96Very high95.6Very high65 Ų6550 Ų5054%0.53724%0.237SC..Hα-helixtrans-66-39.7177.100000111.3D705 Q710 R711D705-A707 VanDerWaalsContact C-N 3.31Å; D705-A707 PolarHBondContact O-N 2.99Å; D705-A707 WeakPolarHBondContact OD1-CB 3.5Å; D705-A707 PolarHBondContact OD1-N 3.4Å; A707-Q710 PolarHBondContact O-N 3.03Å; A707-R711 WeakPolarHBondContact O-CB 3.48Å; A707-R711 PolarHBondContact O-N 3.28Å
708V95.8Very high96Very high29 Ų2950.7 Ų50.718%0.17624%0.241CC..Hα-helixtrans-64.4-43.3175.5176.20000110.5F699 D705 D706 R711 A712F699-V708 HydrophobicContact CB-CG1 4.46Å; F699-V708 HydrophobicContact CD1-CG1 4.35Å; D705-V708 HydrophobicContact CB-CB 4.08Å; D705-V708 HydrophobicContact CB-CG2 3.77Å; D705-V708 PolarHBondContact O-N 2.98Å; D706-V708 VanDerWaalsContact C-N 3.34Å; D706-V708 PolarHBondContact O-N 3.48Å; V708-R711 PolarHBondContact O-N 2.87Å; V708-A712 PolarHBondContact O-N 3.41Å
709R96.1Very high96.3Very high50 Ų5045.2 Ų45.219%0.18922%0.22CC..Hα-helixtrans-64.4-40.3175.6-65.8-168-57.8-86.31.9112.8F701 S703 R704 D705 D706 R711 A712 R713F701-R709 WeakPolarHBondContact O-CD 3.25Å; F701-R709 WeakPolarHBondContact O-CG 3.44Å; S703-R709 WeakPolarHBondContact O-CD 3.26Å; S703-R709 PolarHBondContact O-NH1 3.5Å; R704-R709 VanDerWaalsContact C-NH1 3.26Å; R704-R709 PolarHBondContact O-NH1 3.42Å; D705-R709 WeakPolarHBondContact O-CG 3.22Å; D705-R709 PolarHBondContact O-N 2.89Å; D705-R709 VanDerWaalsContact O-N 3.16Å; D705-R709 PolarHBondContact O-NH1 2.92Å; D706-R709 VanDerWaalsContact CA-NH2 3.35Å; D706-R709 VanDerWaalsContact CB-NH2 3.31Å; D706-R709 PolarHBondContact O-N 3.09Å; D706-R709 IonicContact OD1-CZ 3.42Å; D706-R709 IonicContact OD1-NE 2.83Å; D706-R709 IonicContact OD1-NH2 3.35Å; D706-R709 PolarHBondContact OD1-NH2 3.31Å; R709-R711 VanDerWaalsContact C-N 3.3Å; R709-R711 PolarHBondContact O-N 3.3Å; R709-A712 WeakPolarHBondContact O-CB 3.47Å; R709-A712 PolarHBondContact O-N 3.21Å; R709-R713 PolarHBondContact O-N 2.84Å; R709-R713 VanDerWaalsContact O-N 3.08Å
710Q96.5Very high96.5Very high104 Ų10444 Ų4449%0.48622%0.215SC..Hα-helixtrans-64-39.7175.8-175.157.728.500111D706 A707 R713 E714D706-Q710 WeakPolarHBondContact O-CB 3.36Å; D706-Q710 PolarHBondContact O-N 3.35Å; A707-Q710 PolarHBondContact O-N 3.03Å; Q710-R713 PolarHBondContact O-N 2.86Å; Q710-E714 PolarHBondContact O-N 3.14Å
711R96.3Very high96.6Very high83 Ų8350.3 Ų50.331%0.31324%0.238SC..Hα-helixtrans-65.3-39.1173.7-173.557176.8177.1-2.5112.3F699 A707 V708 R709 R713 E714 I715F699-R711 HydrophobicContact CD1-CB 4.08Å; F699-R711 HydrophobicContact CD1-CG 3.65Å; F699-R711 HydrophobicContact CE1-CG 3.89Å; F699-R711 HydrophobicContact CG-CG 4.03Å; F699-R711 HydrophobicContact CZ-CG 4.45Å; A707-R711 WeakPolarHBondContact O-CB 3.48Å; A707-R711 PolarHBondContact O-N 3.28Å; V708-R711 PolarHBondContact O-N 2.87Å; R709-R711 VanDerWaalsContact C-N 3.3Å; R709-R711 PolarHBondContact O-N 3.3Å; R711-R713 VanDerWaalsContact C-N 3.28Å; R711-R713 PolarHBondContact O-N 3.33Å; R711-E714 IonicContact CZ-OE2 3.52Å; R711-E714 IonicContact NH1-OE2 3.74Å; R711-E714 PolarHBondContact NH1-OE2 3.47Å; R711-E714 PolarHBondContact O-N 3.33Å; R711-I715 HydrophobicContact CG-CD1 4Å; R711-I715 HydrophobicContact CG-CG1 4.49Å; R711-I715 WeakPolarHBondContact O-CG1 3.25Å; R711-I715 PolarHBondContact O-N 2.83Å
712A96.5Very high96.7Very high0 Ų049.9 Ų49.90%024%0.236CC..Hα-helixtrans-57.3-42.3174.300000111.7H696 F699 F701 V708 R709 I715 M716H696-A712 PolarHBondContact NE2-O 2.73Å; H696-A712 VanDerWaalsContact NE2-O 3.09Å; F699-A712 HydrophobicContact CB-CB 4.45Å; F699-A712 WeakPolarHBondContact O-CB 3.43Å; F701-A712 HydrophobicContact CD1-CB 3.73Å; F701-A712 HydrophobicContact CE1-CB 3.83Å; F701-A712 HydrophobicContact CG-CB 4.41Å; V708-A712 PolarHBondContact O-N 3.41Å; R709-A712 WeakPolarHBondContact O-CB 3.47Å; R709-A712 PolarHBondContact O-N 3.21Å; A712-I715 PolarHBondContact O-N 2.69Å; A712-M716 WeakPolarHBondContact O-CB 3.11Å; A712-M716 PolarHBondContact O-N 3.47Å
713R97.7Very high96.8Very high74 Ų7449.9 Ų49.928%0.27924%0.236SC..Hα-helixtrans-64.5-46.6174.9-68.9178.9-179.2-101.4-0.9111.9F701 R709 Q710 R711 I715 M716 S717 W757F701-R713 HydrophobicContact CE1-CG 4.03Å; R709-R713 PolarHBondContact O-N 2.84Å; R709-R713 VanDerWaalsContact O-N 3.08Å; Q710-R713 PolarHBondContact O-N 2.86Å; R711-R713 VanDerWaalsContact C-N 3.28Å; R711-R713 PolarHBondContact O-N 3.33Å; R713-I715 VanDerWaalsContact C-N 3.35Å; R713-I715 PolarHBondContact O-N 2.98Å; R713-M716 PolarHBondContact O-N 3.28Å; R713-S717 PolarHBondContact O-N 3.48Å; R713-S717 PolarHBondContact O-OG 2.98Å; R713-W757 HydrophobicContact CB-CH2 3.61Å; R713-W757 HydrophobicContact CB-CZ2 4.17Å; R713-W757 HydrophobicContact CB-CZ3 3.8Å; R713-W757 HydrophobicContact CG-CD2 4.4Å; R713-W757 HydrophobicContact CG-CE3 3.94Å; R713-W757 HydrophobicContact CG-CH2 3.95Å; R713-W757 HydrophobicContact CG-CZ2 4.37Å; R713-W757 HydrophobicContact CG-CZ3 3.71Å; R713-W757 VanDerWaalsContact NH1-CD1 3.27Å; R713-W757 WeakPolarHBondContact O-CH2 3.42Å
714E97.4Very high96.9Very high88 Ų8856.4 Ų56.441%0.41126%0.261SS..Hα-helixtrans-57.7-46.8175.4-78.5-173.7165.100112.5Q710 R711 M716 S717 K718Q710-E714 PolarHBondContact O-N 3.14Å; R711-E714 IonicContact CZ-OE2 3.52Å; R711-E714 IonicContact NH1-OE2 3.74Å; R711-E714 PolarHBondContact NH1-OE2 3.47Å; R711-E714 PolarHBondContact O-N 3.33Å; E714-M716 VanDerWaalsContact C-N 3.35Å; E714-M716 PolarHBondContact O-N 3.36Å; E714-S717 PolarHBondContact O-N 3.31Å; E714-K718 WeakPolarHBondContact O-CG 3.34Å; E714-K718 PolarHBondContact O-N 3.31Å
715I97.7Very high97Very high1 Ų153.4 Ų53.41%0.00525%0.254CS..Hα-helixtrans-58-48.7178.3-73.2168.3000110.1L664 L667 L693 A695 F699 R711 A712 R713 S717 K718 A719L664-I715 HydrophobicContact CD2-CD1 4.12Å; L664-I715 HydrophobicContact CD2-CG1 4.39Å; L667-I715 HydrophobicContact CD1-CB 4.43Å; L667-I715 HydrophobicContact CD1-CG1 4.48Å; L667-I715 HydrophobicContact CD1-CG2 3.95Å; L693-I715 HydrophobicContact CD1-CG2 3.87Å; L693-I715 HydrophobicContact CD2-CG2 4.28Å; L693-I715 HydrophobicContact CG-CG2 4.31Å; A695-I715 HydrophobicContact CB-CG2 4.21Å; F699-I715 HydrophobicContact CB-CD1 3.83Å; F699-I715 HydrophobicContact CD2-CD1 3.37Å; F699-I715 HydrophobicContact CE2-CD1 4.08Å; F699-I715 HydrophobicContact CG-CD1 3.73Å; R711-I715 HydrophobicContact CG-CD1 4Å; R711-I715 HydrophobicContact CG-CG1 4.49Å; R711-I715 WeakPolarHBondContact O-CG1 3.25Å; R711-I715 PolarHBondContact O-N 2.83Å; A712-I715 PolarHBondContact O-N 2.69Å; R713-I715 VanDerWaalsContact C-N 3.35Å; R713-I715 PolarHBondContact O-N 2.98Å; I715-S717 PolarHBondContact O-N 3.04Å; I715-K718 PolarHBondContact O-N 2.76Å; I715-A719 WeakPolarHBondContact O-CB 3.47Å; I715-A719 PolarHBondContact O-N 2.86Å
716M97.8Very high97Very high0 Ų049.8 Ų49.80%024%0.235CC..Hα-helixtrans-60.6-46.9178.1178.959.378.600112.2L693 F701 A712 R713 E714 K718 A719 I720 L733 W757 A758 L769L693-M716 HydrophobicContact CD2-CE 4.18Å; L693-M716 HydrophobicContact CD2-SD 4.25Å; F701-M716 HydrophobicContact CE2-CE 4.06Å; F701-M716 HydrophobicContact CZ-CB 4.01Å; F701-M716 HydrophobicContact CZ-CE 4.14Å; F701-M716 HydrophobicContact CZ-CG 4.3Å; A712-M716 WeakPolarHBondContact O-CB 3.11Å; A712-M716 PolarHBondContact O-N 3.47Å; R713-M716 PolarHBondContact O-N 3.28Å; E714-M716 VanDerWaalsContact C-N 3.35Å; E714-M716 PolarHBondContact O-N 3.36Å; M716-K718 VanDerWaalsContact C-N 3.32Å; M716-K718 PolarHBondContact O-N 3.13Å; M716-A719 PolarHBondContact O-N 3.45Å; M716-I720 HydrophobicContact CG-CD1 3.83Å; M716-I720 WeakPolarHBondContact O-CG1 3.49Å; M716-I720 PolarHBondContact O-N 3.06Å; M716-I720 HydrophobicContact SD-CD1 3.85Å; M716-I720 HydrophobicContact SD-CG1 4.03Å; M716-L733 HydrophobicContact CE-CD1 3.91Å; M716-L733 HydrophobicContact CE-CD2 3.39Å; M716-L733 HydrophobicContact CE-CG 4.28Å; M716-W757 HydrophobicContact CB-CH2 4.34Å; M716-W757 HydrophobicContact CB-CZ3 3.91Å; M716-W757 HydrophobicContact CG-CH2 4.42Å; M716-W757 HydrophobicContact CG-CZ3 3.88Å; M716-A758 HydrophobicContact CE-CB 3.78Å; M716-A758 HydrophobicContact CG-CB 3.91Å; M716-A758 HydrophobicContact SD-CB 4.26Å; M716-L769 HydrophobicContact CE-CD1 4.39Å; M716-L769 HydrophobicContact CE-CD2 4.41Å; M716-L769 HydrophobicContact SD-CD2 4.18Å
717S98Very high97.1Very high42 Ų4246.9 Ų46.929%0.29423%0.229SC..Hα-helixtrans-61.3-38.8178-67.20000112.7R713 E714 I715 R721 W757R713-S717 PolarHBondContact O-N 3.48Å; R713-S717 PolarHBondContact O-OG 2.98Å; E714-S717 PolarHBondContact O-N 3.31Å; I715-S717 PolarHBondContact O-N 3.04Å; S717-R721 PolarHBondContact O-N 3.28Å; S717-W757 WeakPolarHBondContact OG-CH2 3.44Å
718K98.1Very high97.1Very high51 Ų5143.9 Ų43.922%0.22221%0.205CC..Hα-helixtrans-70.9-39.2175.6-67.4-176-175.2-171.30112L667 D668 E714 I715 M716 R721 L722L667-K718 HydrophobicContact CB-CB 3.89Å; L667-K718 HydrophobicContact CB-CD 4.09Å; L667-K718 HydrophobicContact CD1-CB 4.33Å; L667-K718 HydrophobicContact CD2-CB 4.41Å; L667-K718 HydrophobicContact CG-CB 4.45Å; D668-K718 WeakPolarHBondContact OD1-CE 3.43Å; D668-K718 IonicContact OD1-NZ 2.71Å; D668-K718 PolarHBondContact OD1-NZ 3.34Å; D668-K718 IonicContact OD2-NZ 3.28Å; D668-K718 PolarHBondContact OD2-NZ 3.08Å; E714-K718 WeakPolarHBondContact O-CG 3.34Å; E714-K718 PolarHBondContact O-N 3.31Å; I715-K718 PolarHBondContact O-N 2.76Å; M716-K718 VanDerWaalsContact C-N 3.32Å; M716-K718 PolarHBondContact O-N 3.13Å; K718-R721 PolarHBondContact O-N 2.79Å; K718-L722 WeakPolarHBondContact O-CB 3.45Å; K718-L722 PolarHBondContact O-N 2.87Å
719A98.3Very high97.1Very high0 Ų050 Ų500%022%0.224CC..Hα-helixtrans-62.3-45177.300000111.5L667 M691 L693 I715 M716 R721 L722 A723 I731L667-A719 HydrophobicContact CD2-CB 3.92Å; M691-A719 HydrophobicContact SD-CB 4.11Å; L693-A719 HydrophobicContact CD1-CB 3.89Å; L693-A719 HydrophobicContact CD2-CB 3.67Å; L693-A719 HydrophobicContact CG-CB 4.41Å; I715-A719 WeakPolarHBondContact O-CB 3.47Å; I715-A719 PolarHBondContact O-N 2.86Å; M716-A719 PolarHBondContact O-N 3.45Å; A719-R721 VanDerWaalsContact C-N 3.32Å; A719-R721 PolarHBondContact O-N 3.37Å; A719-L722 PolarHBondContact O-N 3.43Å; A719-A723 VanDerWaalsContact O-CB 3.3Å; A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.23Å; A719-I731 HydrophobicContact CB-CD1 4.13Å
720I98.3Very high97.2Very high5 Ų548.1 Ų48.13%0.02622%0.218CC..Hα-helixtrans-59.4-43174.7-68.4164.8000111.2M716 A723 R724 I731 Q761 A762 S765M716-I720 HydrophobicContact CG-CD1 3.83Å; M716-I720 WeakPolarHBondContact O-CG1 3.49Å; M716-I720 PolarHBondContact O-N 3.06Å; M716-I720 HydrophobicContact SD-CD1 3.85Å; M716-I720 HydrophobicContact SD-CG1 4.03Å; I720-A723 PolarHBondContact O-N 2.82Å; I720-R724 WeakPolarHBondContact O-CB 3.45Å; I720-R724 PolarHBondContact O-N 2.68Å; I720-I731 HydrophobicContact CB-CD1 4.46Å; I720-I731 HydrophobicContact CG1-CD1 3.86Å; I720-Q761 HydrophobicContact CD1-CB 3.64Å; I720-A762 HydrophobicContact CD1-CB 4.07Å; I720-A762 HydrophobicContact CG1-CB 4.41Å; I720-S765 WeakPolarHBondContact CG2-OG 3.44Å
721R97.3Very high97.3Very high138 Ų13843.1 Ų43.152%0.52120%0.195SC..Hα-helixtrans-64.3-46.3176.6-172.1-173.6-59.6173.51.6112S717 K718 A719 A723 R724 D725S717-R721 PolarHBondContact O-N 3.28Å; K718-R721 PolarHBondContact O-N 2.79Å; A719-R721 VanDerWaalsContact C-N 3.32Å; A719-R721 PolarHBondContact O-N 3.37Å; R721-A723 VanDerWaalsContact C-N 3.31Å; R721-R724 PolarHBondContact O-N 3.11Å; R721-D725 PolarHBondContact O-N 3.26Å
722L98Very high97.3Very high0 Ų039.2 Ų39.20%018%0.181CC..Hα-helixtrans-61.3-43.4177.8-177.863.7000110.6M655 R666 L667 W669 R674 M691 K718 A719 D725 L726M655-L722 HydrophobicContact SD-CD2 4.12Å; R666-L722 HydrophobicContact CB-CD2 4.43Å; L667-L722 HydrophobicContact CD2-CD2 4.04Å; W669-L722 HydrophobicContact CE3-CD1 4.32Å; R674-L722 HydrophobicContact CG-CD1 4.13Å; M691-L722 HydrophobicContact CE-CB 4.17Å; M691-L722 HydrophobicContact CE-CD2 3.65Å; M691-L722 HydrophobicContact CE-CG 3.88Å; K718-L722 WeakPolarHBondContact O-CB 3.45Å; K718-L722 PolarHBondContact O-N 2.87Å; A719-L722 PolarHBondContact O-N 3.43Å; L722-D725 PolarHBondContact O-N 3.46Å; L722-L726 HydrophobicContact CD1-CD1 3.68Å; L722-L726 HydrophobicContact CD1-CG 4Å; L722-L726 HydrophobicContact CG-CD1 3.9Å; L722-L726 HydrophobicContact CG-CG 4.44Å; L722-L726 WeakPolarHBondContact O-CB 3.35Å; L722-L726 WeakPolarHBondContact O-CG 3.4Å; L722-L726 PolarHBondContact O-N 3.5Å
723A97.9Very high97.2Very high0 Ų039.6 Ų39.60%018%0.183CC..Hα-helixtrans-60.1-48.2178.100000112M691 A719 I720 R721 D725 L726 G727 I728 I731 V767M691-A723 HydrophobicContact CE-CB 4.46Å; A719-A723 VanDerWaalsContact O-CB 3.3Å; A719-A723 WeakPolarHBondContact O-CB 3.27Å; A719-A723 PolarHBondContact O-N 3.23Å; I720-A723 PolarHBondContact O-N 2.82Å; R721-A723 VanDerWaalsContact C-N 3.31Å; A723-D725 PolarHBondContact O-N 3.26Å; A723-L726 PolarHBondContact O-N 3.35Å; A723-G727 CarbonylContact O-C 3.37Å; A723-G727 PolarHBondContact O-N 3.49Å; A723-I728 HydrophobicContact CB-CB 3.84Å; A723-I728 HydrophobicContact CB-CG2 4.17Å; A723-I728 PolarHBondContact O-N 2.94Å; A723-I731 HydrophobicContact CB-CD1 3.99Å; A723-I731 HydrophobicContact CB-CG1 4.07Å; A723-V767 HydrophobicContact CB-CG1 4.22Å; A723-V767 HydrophobicContact CB-CG2 4.3Å
724R96.6Very high96.5Very high137 Ų13736.7 Ų36.752%0.51717%0.174SC..Hα-helixtrans-57-47.5174.5-177.9-161.367.3-1731.2112.4I720 R721 L726 G727I720-R724 WeakPolarHBondContact O-CB 3.45Å; I720-R724 PolarHBondContact O-N 2.68Å; R721-R724 PolarHBondContact O-N 3.11Å; R724-L726 VanDerWaalsContact C-N 3.33Å; R724-L726 PolarHBondContact O-N 3.39Å; R724-G727 PolarHBondContact O-N 2.83Å
725D96.4Very high95.7Very high64 Ų6432.5 Ų32.534%0.34215%0.154SC..Hα-helixtrans-69.7-31.1-175-65.5-7.4000112.5R674 R721 L722 A723R674-D725 IonicContact CZ-OD2 2.68Å; R674-D725 IonicContact NH1-OD2 3.5Å; R674-D725 PolarHBondContact NH1-OD2 2.99Å; R721-D725 PolarHBondContact O-N 3.26Å; L722-D725 PolarHBondContact O-N 3.46Å; A723-D725 PolarHBondContact O-N 3.26Å
726L96.3Very high95.2Very high9 Ų932.7 Ų32.75%0.04716%0.155CC..Hα-helixtrans-91.3-8.2177.5-63.2-178.4000113.6M655 W669 R674 L677 V678 M681 L722 A723 R724 I728M655-L726 HydrophobicContact CE-CD1 3.64Å; M655-L726 HydrophobicContact SD-CD1 4.29Å; W669-L726 HydrophobicContact CZ3-CD1 4.46Å; R674-L726 HydrophobicContact CB-CD2 3.97Å; R674-L726 HydrophobicContact CG-CD2 4.37Å; L677-L726 HydrophobicContact CB-CD2 4.24Å; L677-L726 HydrophobicContact CD2-CD1 3.83Å; L677-L726 HydrophobicContact CD2-CD2 4.04Å; L677-L726 HydrophobicContact CG-CD2 4.29Å; V678-L726 HydrophobicContact CG2-CD2 3.96Å; M681-L726 WeakPolarHBondContact CE-O 3.31Å; L722-L726 HydrophobicContact CD1-CD1 3.68Å; L722-L726 HydrophobicContact CD1-CG 4Å; L722-L726 HydrophobicContact CG-CD1 3.9Å; L722-L726 HydrophobicContact CG-CG 4.44Å; L722-L726 WeakPolarHBondContact O-CB 3.35Å; L722-L726 WeakPolarHBondContact O-CG 3.4Å; L722-L726 PolarHBondContact O-N 3.5Å; A723-L726 PolarHBondContact O-N 3.35Å; R724-L726 VanDerWaalsContact C-N 3.33Å; R724-L726 PolarHBondContact O-N 3.39Å; L726-I728 HydrophobicContact CB-CD1 4.07Å; L726-I728 HydrophobicContact CB-CG1 4.03Å; L726-I728 HydrophobicContact CD1-CD1 3.99Å
727G95.2Very high94.8Very high44 Ų4432.9 Ų32.945%0.45416%0.156SC..THydrogen-bonded Turntrans76.619.4-174.900000114.8A723 R724 R729A723-G727 CarbonylContact O-C 3.37Å; A723-G727 PolarHBondContact O-N 3.49Å; R724-G727 PolarHBondContact O-N 2.83Å; G727-R729 PolarHBondContact O-N 2.96Å
728I97.5Very high94.5Very high3 Ų331.4 Ų31.42%0.01515%0.145CC..  trans-70.8124.5172.9-59.3168.8000108.1M655 I688 M691 A723 L726 T730M655-I728 HydrophobicContact SD-CD1 4.29Å; I688-I728 HydrophobicContact CB-CG1 4.37Å; I688-I728 HydrophobicContact CG2-CD1 3.93Å; I688-I728 HydrophobicContact CG2-CG1 3.9Å; I688-I728 VanDerWaalsContact O-CG1 3.26Å; I688-I728 WeakPolarHBondContact O-CG1 3.35Å; M691-I728 HydrophobicContact CB-CD1 4.28Å; M691-I728 HydrophobicContact CB-CG2 4.01Å; M691-I728 HydrophobicContact CE-CD1 3.57Å; A723-I728 HydrophobicContact CB-CB 3.84Å; A723-I728 HydrophobicContact CB-CG2 4.17Å; A723-I728 PolarHBondContact O-N 2.94Å; L726-I728 HydrophobicContact CB-CD1 4.07Å; L726-I728 HydrophobicContact CB-CG1 4.03Å; L726-I728 HydrophobicContact CD1-CD1 3.99Å; I728-T730 WeakPolarHBondContact CG2-O 3.45Å
729R96.3Very high94Very high156 Ų15632.9 Ų32.959%0.58915%0.15SC*.  trans-90.4-27.1-172.6-64.4-178.4-67.7-84.78.1113P689 G727 M768P689-R729 VanDerWaalsContact CB-NH2 3.32Å; P689-R729 PolarHBondContact O-N 3.02Å; G727-R729 PolarHBondContact O-N 2.96Å; R729-M768 HydrophobicContact CB-CE 4.48Å; R729-M768 PolarHBondContact O-N 3.49Å
730T97.7Very high93.5Very high11 Ų1139.7 Ų39.77%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-129.8127.6-173.6-52.70000110.7P689 S690 M691 I728 M768 A770 A825P689-T730 PolarHBondContact O-N 3.17Å; S690-T730 CarbonylContact C-O 3.47Å; S690-T730 WeakPolarHBondContact CA-O 3.32Å; M691-T730 PolarHBondContact N-O 2.78Å; I728-T730 WeakPolarHBondContact CG2-O 3.45Å; T730-M768 CarbonylContact C-O 3.54Å; T730-M768 WeakPolarHBondContact CA-O 3.25Å; T730-M768 WeakPolarHBondContact OG1-CE 3.43Å; T730-A770 HydrophobicContact CG2-CB 3.45Å; T730-A770 VanDerWaalsContact CG2-CB 3.45Å; T730-A825 HydrophobicContact CG2-CB 4.03Å
731I98.3Very high93.1Very high0 Ų042.3 Ų42.30%019%0.189CC..EExtended strand (participates in β ladder)trans-100.1117.6164-61.6171.2000107M691 L693 A719 I720 A723 L733 V767 M768 L769 A770M691-I731 CarbonylContact O-C 3.51Å; M691-I731 WeakPolarHBondContact O-CA 3.44Å; L693-I731 HydrophobicContact CB-CG2 3.77Å; L693-I731 HydrophobicContact CD2-CG2 4.06Å; A719-I731 HydrophobicContact CB-CD1 4.13Å; I720-I731 HydrophobicContact CB-CD1 4.46Å; I720-I731 HydrophobicContact CG1-CD1 3.86Å; A723-I731 HydrophobicContact CB-CD1 3.99Å; A723-I731 HydrophobicContact CB-CG1 4.07Å; I731-L733 HydrophobicContact CG2-CD2 4.01Å; I731-V767 HydrophobicContact CD1-CG1 3.9Å; I731-V767 HydrophobicContact CG1-CG1 3.87Å; I731-M768 PolarHBondContact N-O 3.07Å; I731-L769 HydrophobicContact CB-CD2 3.84Å; I731-L769 HydrophobicContact CD1-CD2 4.37Å; I731-L769 HydrophobicContact CG2-CD2 4.33Å; I731-L769 WeakPolarHBondContact O-CA 3.25Å; I731-A770 PolarHBondContact O-N 2.98Å
732Q97Very high92.7Very high1 Ų141.6 Ų41.61%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-80.6130.2172.6-178-165.27700109.7M691 C692 L693 A770 E772 Y800 H828M691-Q732 PolarHBondContact O-N 2.85Å; C692-Q732 PolarHBondContact SG-OE1 2.9Å; L693-Q732 PolarHBondContact N-O 3.36Å; Q732-A770 CarbonylContact C-O 3.36Å; Q732-A770 WeakPolarHBondContact CA-O 3.47Å; Q732-E772 HydrophobicContact CG-CB 3.89Å; Q732-Y800 HydrophobicContact CB-CD2 3.74Å; Q732-Y800 HydrophobicContact CB-CE2 4.09Å; Q732-Y800 HydrophobicContact CG-CD2 3.73Å; Q732-Y800 HydrophobicContact CG-CE2 4.32Å; Q732-Y800 HydrophobicContact CG-CG 4.1Å; Q732-Y800 VanDerWaalsContact NE2-CD2 3.26Å; Q732-Y800 VanDerWaalsContact NE2-CG 3.3Å; Q732-H828 PolarHBondContact NE2-CE1 2.92Å; Q732-H828 PolarHBondContact NE2-NE2 3.05Å
733L93.3Very high92.3Very high8 Ų846.6 Ų46.64%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-114.8135.2176.9-56.6174.6000109.1L693 M716 I731 G735 L755 L769 A770 V771 E772L693-L733 HydrophobicContact CB-CD2 4.25Å; L693-L733 HydrophobicContact CD2-CD2 4.12Å; M716-L733 HydrophobicContact CE-CD1 3.91Å; M716-L733 HydrophobicContact CE-CD2 3.39Å; M716-L733 HydrophobicContact CE-CG 4.28Å; I731-L733 HydrophobicContact CG2-CD2 4.01Å; L733-G735 PolarHBondContact O-N 3.12Å; L733-L755 HydrophobicContact CD1-CD1 3.91Å; L733-L769 HydrophobicContact CD1-CB 4.01Å; L733-L769 HydrophobicContact CD1-CD1 4.08Å; L733-L769 HydrophobicContact CD1-CD2 4.37Å; L733-L769 HydrophobicContact CD1-CG 4.37Å; L733-A770 PolarHBondContact N-O 2.92Å; L733-V771 CarbonylContact O-C 3.57Å; L733-V771 WeakPolarHBondContact O-CA 3.41Å; L733-E772 PolarHBondContact O-N 3.02Å
734A83.7Confident92Very high12 Ų1249.1 Ų49.110%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-74.6130.1173.300000110.7Y736 M774A734-Y736 VanDerWaalsContact C-N 3.34Å; A734-Y736 HydrophobicContact CB-CD1 3.95Å; A734-Y736 HydrophobicContact CB-CE1 3.17Å; A734-Y736 VanDerWaalsContact CB-CZ 3.5Å; A734-Y736 WeakPolarHBondContact CB-OH 3.32Å; A734-Y736 PolarHBondContact O-N 3.19Å; A734-M774 HydrophobicContact CB-CE 3.8Å; A734-M774 HydrophobicContact CB-CG 4.4Å; A734-M774 HydrophobicContact CB-SD 3.56Å; A734-M774 VanDerWaalsContact CB-SD 3.56Å
735G80.9Confident91.7Very high0 Ų050.9 Ų50.90%025%0.246CC..SBendtrans-78.968.9-176.900000114.2L733 F778 M779L733-G735 PolarHBondContact O-N 3.12Å; G735-F778 WeakPolarHBondContact O-CD1 3.36Å; G735-M779 WeakPolarHBondContact O-CB 3.06Å
736Y86Confident91.6Very high6 Ų648.8 Ų48.82%0.02424%0.24CC..  trans-134.9147.6165.347.7-105000109.7R697 A734 Y739 F751 M774R697-Y736 WeakPolarHBondContact CA-OH 3.29Å; R697-Y736 HydrophobicContact CG-CE1 3.89Å; R697-Y736 HydrophobicContact CG-CE2 4.23Å; R697-Y736 VanDerWaalsContact CG-CZ 3.42Å; R697-Y736 WeakPolarHBondContact CG-OH 3.45Å; R697-Y736 PolarHBondContact N-OH 2.9Å; A734-Y736 VanDerWaalsContact C-N 3.34Å; A734-Y736 HydrophobicContact CB-CD1 3.95Å; A734-Y736 HydrophobicContact CB-CE1 3.17Å; A734-Y736 VanDerWaalsContact CB-CZ 3.5Å; A734-Y736 WeakPolarHBondContact CB-OH 3.32Å; A734-Y736 PolarHBondContact O-N 3.19Å; Y736-Y739 AromaticContact CD1-CD2 3.86Å; Y736-Y739 HydrophobicContact CD1-CD2 3.86Å; Y736-Y739 AromaticContact CE1-CD2 3.96Å; Y736-Y739 HydrophobicContact CE1-CD2 3.96Å; Y736-Y739 HydrophobicContact CG-CD2 4.19Å; Y736-F751 VanDerWaalsContact O-CE2 3.24Å; Y736-F751 WeakPolarHBondContact O-CE2 3.47Å; Y736-M774 HydrophobicContact CD1-CE 4.36Å; Y736-M774 HydrophobicContact CE1-CE 4.16Å
737D90Very high91.5Very high3 Ų348.4 Ų48.42%0.01624%0.238CC..SBendtrans-79.4-37176.262.2-36.9000112.5P700 G702 H743 T747 R748 F751 F778P700-D737 WeakPolarHBondContact CB-O 3.44Å; G702-D737 WeakPolarHBondContact CA-O 3.4Å; G702-D737 PolarHBondContact N-O 2.94Å; D737-H743 IonicContact OD1-CE1 3.44Å; D737-H743 IonicContact OD1-CG 3.25Å; D737-H743 IonicContact OD1-ND1 2.66Å; D737-H743 PolarHBondContact OD1-ND1 3.24Å; D737-H743 IonicContact OD2-CE1 3.46Å; D737-H743 PolarHBondContact OD2-CE1 2.99Å; D737-H743 VanDerWaalsContact OD2-CE1 3.28Å; D737-H743 IonicContact OD2-CG 3.97Å; D737-H743 IonicContact OD2-ND1 2.86Å; D737-H743 PolarHBondContact OD2-ND1 2.86Å; D737-T747 WeakPolarHBondContact OD2-CB 3.47Å; D737-T747 PolarHBondContact OD2-OG1 3Å; D737-R748 PolarHBondContact OD2-N 3.38Å; D737-F751 HydrophobicContact CB-CB 3.53Å; D737-F751 HydrophobicContact CB-CD1 4.2Å; D737-F751 HydrophobicContact CB-CD2 4.24Å; D737-F751 HydrophobicContact CB-CG 3.74Å; D737-F778 HydrophobicContact CB-CD2 4.48Å; D737-F778 HydrophobicContact CB-CE1 4.19Å; D737-F778 HydrophobicContact CB-CE2 3.84Å; D737-F778 HydrophobicContact CB-CZ 3.65Å
738V90.9Very high91.4Very high11 Ų1152.1 Ų52.17%0.06724%0.238CC..  trans-144.5152.6168.4-72.90000109P700 G702 E741 T747P700-V738 HydrophobicContact CB-CG1 4.46Å; P700-V738 HydrophobicContact CG-CB 4.43Å; P700-V738 HydrophobicContact CG-CG1 4.09Å; G702-V738 VanDerWaalsContact C-CG1 3.45Å; V738-E741 HydrophobicContact CB-CB 3.97Å; V738-E741 HydrophobicContact CG1-CB 4.14Å; V738-E741 HydrophobicContact CG2-CB 4.09Å; V738-E741 VanDerWaalsContact CG2-O 3.25Å; V738-E741 WeakPolarHBondContact CG2-O 3.43Å; V738-T747 HydrophobicContact CG1-CG2 3.99Å; V738-T747 HydrophobicContact CG2-CG2 4.13Å
739Y88Confident91.2Very high82 Ų8257.7 Ų57.732%0.32226%0.264SS..SBendtrans-113-42.4178.5-167.3-96.8000112.9R697 Y736 T776R697-Y739 HydrophobicContact CB-CD1 4.41Å; R697-Y739 HydrophobicContact CB-CG 4.4Å; R697-Y739 HydrophobicContact CG-CD1 4.39Å; R697-Y739 HydrophobicContact CG-CD2 4.42Å; R697-Y739 HydrophobicContact CG-CG 4.19Å; Y736-Y739 AromaticContact CD1-CD2 3.86Å; Y736-Y739 HydrophobicContact CD1-CD2 3.86Å; Y736-Y739 AromaticContact CE1-CD2 3.96Å; Y736-Y739 HydrophobicContact CE1-CD2 3.96Å; Y736-Y739 HydrophobicContact CG-CD2 4.19Å; Y739-T776 HydrophobicContact CE2-CG2 4.35Å
740Y88.9Confident91.2Very high143 Ų14352.8 Ų52.856%0.56125%0.246SC*.SBendtrans-101.1-2.5-179.6-60-66.8000114.3E659 R697E659-Y740 PolarHBondContact OE1-OH 2.88Å; E659-Y740 VanDerWaalsContact OE1-OH 3.09Å; E659-Y740 PolarHBondContact OE2-OH 3.37Å; E659-Y740 VanDerWaalsContact OE2-OH 3.09Å; R697-Y740 HydrophobicContact CB-CE2 4.26Å; R697-Y740 WeakPolarHBondContact O-CD2 3.39Å
741E89.5Confident91.1Very high60 Ų6052.8 Ų52.828%0.2825%0.245SC..SBendtrans-110.4156.6176.2-63.7174.4-133.900110.2S703 R704 V738 H743S703-E741 WeakPolarHBondContact CA-OE1 3.48Å; S703-E741 WeakPolarHBondContact CB-OE1 3.3Å; S703-E741 PolarHBondContact OG-OE1 3.12Å; R704-E741 WeakPolarHBondContact CB-OE2 3.5Å; R704-E741 WeakPolarHBondContact CG-OE2 3.45Å; R704-E741 PolarHBondContact N-OE2 3.27Å; V738-E741 HydrophobicContact CB-CB 3.97Å; V738-E741 HydrophobicContact CG1-CB 4.14Å; V738-E741 HydrophobicContact CG2-CB 4.09Å; V738-E741 VanDerWaalsContact CG2-O 3.25Å; V738-E741 WeakPolarHBondContact CG2-O 3.43Å; E741-H743 PolarHBondContact O-N 2.97Å
742D88.6Confident90.8Very high124 Ų12453.8 Ų53.866%0.66325%0.253SS*.  trans-66.7127.4172.3-64.7-44.8000111.1R704R704-D742 PolarHBondContact NH2-O 3.11Å
743H89.1Confident90.7Very high104 Ų10458.6 Ų58.648%0.48128%0.276SS..  trans-64.1130.6172.9173.778000111.8D737 E741 F778D737-H743 IonicContact OD1-CE1 3.44Å; D737-H743 IonicContact OD1-CG 3.25Å; D737-H743 IonicContact OD1-ND1 2.66Å; D737-H743 PolarHBondContact OD1-ND1 3.24Å; D737-H743 IonicContact OD2-CE1 3.46Å; D737-H743 PolarHBondContact OD2-CE1 2.99Å; D737-H743 VanDerWaalsContact OD2-CE1 3.28Å; D737-H743 IonicContact OD2-CG 3.97Å; D737-H743 IonicContact OD2-ND1 2.86Å; D737-H743 PolarHBondContact OD2-ND1 2.86Å; E741-H743 PolarHBondContact O-N 2.97Å; H743-F778 AromaticContact CE1-CD2 3.67Å; H743-F778 AromaticContact CE1-CE2 3.68Å; H743-F778 AromaticContact ND1-CD2 3.9Å
744D91.6Very high90.9Very high53 Ų5358.3 Ų58.328%0.28328%0.275SS..  trans-144179171.565.747.8000112.2R704 G746 T747 R748R704-D744 IonicContact CZ-OD2 2.64Å; R704-D744 IonicContact NE-OD2 3.64Å; R704-D744 PolarHBondContact NE-OD2 3.11Å; R704-D744 IonicContact NH2-OD2 3.17Å; R704-D744 PolarHBondContact NH2-OD2 3.4Å; D744-G746 PolarHBondContact O-N 2.9Å; D744-G746 WeakPolarHBondContact OD1-CA 3.31Å; D744-G746 PolarHBondContact OD1-N 3.07Å; D744-T747 PolarHBondContact N-OG1 2.89Å; D744-T747 PolarHBondContact O-N 3.29Å; D744-T747 PolarHBondContact O-OG1 3.11Å; D744-T747 PolarHBondContact OD1-N 3.34Å; D744-R748 PolarHBondContact O-N 3.09Å; D744-R748 VanDerWaalsContact O-N 3.14Å
745E91Very high91.4Very high174 Ų17457.9 Ų57.981%0.81327%0.271SS*.Hα-helixtrans-62.2-33.5179-169176.7-171.800112.3Q749E745-Q749 PolarHBondContact O-N 3.01Å
746G94.2Very high92.1Very high21 Ų2160 Ų6022%0.21629%0.289CS..Hα-helixtrans-72.9-39.5177.900000113.1D744 R748 Q749 R750D744-G746 PolarHBondContact O-N 2.9Å; D744-G746 WeakPolarHBondContact OD1-CA 3.31Å; D744-G746 PolarHBondContact OD1-N 3.07Å; G746-R748 VanDerWaalsContact C-N 3.28Å; G746-R748 PolarHBondContact O-N 3.17Å; G746-Q749 PolarHBondContact O-N 3.36Å; G746-R750 VanDerWaalsContact C-CZ 3.49Å; G746-R750 VanDerWaalsContact C-NH1 3.3Å; G746-R750 WeakPolarHBondContact O-CG 3.45Å; G746-R750 VanDerWaalsContact O-CZ 3.27Å; G746-R750 PolarHBondContact O-N 2.98Å; G746-R750 PolarHBondContact O-NH1 3.46Å
747T94.4Very high92.6Very high0 Ų062.1 Ų62.10%030%0.296CS..Hα-helixtrans-62.1-41.6173.759.30000110.2G702 R704 D737 V738 D744 R750 F751G702-T747 VanDerWaalsContact CA-O 3.29Å; G702-T747 WeakPolarHBondContact CA-O 3.36Å; G702-T747 WeakPolarHBondContact O-CA 3.47Å; G702-T747 WeakPolarHBondContact O-CB 3.47Å; G702-T747 WeakPolarHBondContact O-CG2 3.36Å; R704-T747 HydrophobicContact CG-CG2 4.49Å; D737-T747 WeakPolarHBondContact OD2-CB 3.47Å; D737-T747 PolarHBondContact OD2-OG1 3Å; V738-T747 HydrophobicContact CG1-CG2 3.99Å; V738-T747 HydrophobicContact CG2-CG2 4.13Å; D744-T747 PolarHBondContact N-OG1 2.89Å; D744-T747 PolarHBondContact O-N 3.29Å; D744-T747 PolarHBondContact O-OG1 3.11Å; D744-T747 PolarHBondContact OD1-N 3.34Å; T747-R750 VanDerWaalsContact CA-NH2 3.34Å; T747-R750 VanDerWaalsContact CG2-NH2 3.27Å; T747-R750 PolarHBondContact O-N 2.91Å; T747-F751 WeakPolarHBondContact O-CB 3.3Å; T747-F751 PolarHBondContact O-N 3.37Å
748R92.5Very high93Very high122 Ų12262 Ų6246%0.4630%0.296SS..Hα-helixtrans-63-42.9175.4-170.4175.3179-171-1.8112.9D737 D744 G746 F751 A752 F778 W788D737-R748 PolarHBondContact OD2-N 3.38Å; D744-R748 PolarHBondContact O-N 3.09Å; D744-R748 VanDerWaalsContact O-N 3.14Å; G746-R748 VanDerWaalsContact C-N 3.28Å; G746-R748 PolarHBondContact O-N 3.17Å; R748-F751 PolarHBondContact O-N 2.47Å; R748-A752 PolarHBondContact O-N 3.37Å; R748-F778 HydrophobicContact CG-CE2 4.13Å; R748-F778 HydrophobicContact CG-CZ 4.46Å; R748-W788 HydrophobicContact CG-CH2 4.06Å; R748-W788 HydrophobicContact CG-CZ2 4.22Å
749Q93.7Very high93.3Very high120 Ų12061.8 Ų61.856%0.56130%0.295SS*.Hα-helixtrans-63.2-47.6176.9-176.4-179.2-10.300111.5E745 G746 F751 A752 E753E745-Q749 PolarHBondContact O-N 3.01Å; G746-Q749 PolarHBondContact O-N 3.36Å; Q749-F751 VanDerWaalsContact C-N 3.33Å; Q749-F751 PolarHBondContact O-N 3.47Å; Q749-A752 WeakPolarHBondContact O-CB 3.31Å; Q749-A752 PolarHBondContact O-N 2.93Å; Q749-A752 VanDerWaalsContact O-N 3.14Å; Q749-E753 PolarHBondContact NE2-OE1 3.4Å; Q749-E753 WeakPolarHBondContact O-CG 3.3Å; Q749-E753 PolarHBondContact O-N 3.43Å
750R96.1Very high93.7Very high53 Ų5364.1 Ų64.120%0.231%0.309CS..Hα-helixtrans-64.4-37.6178.9-70.4-174.9-59.3-83.9-2.4112.3G702 S703 G746 T747 E753 G754G702-R750 PolarHBondContact O-NE 2.86Å; G702-R750 VanDerWaalsContact O-NE 3.11Å; G702-R750 PolarHBondContact O-NH2 3.3Å; S703-R750 PolarHBondContact O-NE 2.75Å; G746-R750 VanDerWaalsContact C-CZ 3.49Å; G746-R750 VanDerWaalsContact C-NH1 3.3Å; G746-R750 WeakPolarHBondContact O-CG 3.45Å; G746-R750 VanDerWaalsContact O-CZ 3.27Å; G746-R750 PolarHBondContact O-N 2.98Å; G746-R750 PolarHBondContact O-NH1 3.46Å; T747-R750 VanDerWaalsContact CA-NH2 3.34Å; T747-R750 VanDerWaalsContact CG2-NH2 3.27Å; T747-R750 PolarHBondContact O-N 2.91Å; R750-E753 PolarHBondContact O-N 2.95Å; R750-G754 PolarHBondContact O-N 2.93Å
751F95.1Very high94.1Very high11 Ų1160.4 Ų60.45%0.04830%0.296CS..Hα-helixtrans-61.8-42.5172.3176.7-102.1000111.7F701 Y736 D737 T747 R748 Q749 E753 G754 L755 F778 W788F701-F751 HydrophobicContact CB-CD2 4.15Å; Y736-F751 VanDerWaalsContact O-CE2 3.24Å; Y736-F751 WeakPolarHBondContact O-CE2 3.47Å; D737-F751 HydrophobicContact CB-CB 3.53Å; D737-F751 HydrophobicContact CB-CD1 4.2Å; D737-F751 HydrophobicContact CB-CD2 4.24Å; D737-F751 HydrophobicContact CB-CG 3.74Å; T747-F751 WeakPolarHBondContact O-CB 3.3Å; T747-F751 PolarHBondContact O-N 3.37Å; R748-F751 PolarHBondContact O-N 2.47Å; Q749-F751 VanDerWaalsContact C-N 3.33Å; Q749-F751 PolarHBondContact O-N 3.47Å; F751-E753 PolarHBondContact O-N 3.42Å; F751-G754 PolarHBondContact O-N 3.06Å; F751-L755 HydrophobicContact CE1-CD2 3.81Å; F751-L755 HydrophobicContact CZ-CD2 3.94Å; F751-L755 WeakPolarHBondContact O-CB 3.41Å; F751-L755 PolarHBondContact O-N 3.2Å; F751-F778 HydrophobicContact CD1-CE1 4.04Å; F751-F778 AromaticContact CD1-CZ 3.87Å; F751-F778 HydrophobicContact CD1-CZ 3.87Å; F751-F778 AromaticContact CE1-CE1 3.76Å; F751-F778 HydrophobicContact CE1-CE1 3.76Å; F751-F778 HydrophobicContact CE1-CZ 4.04Å; F751-F778 HydrophobicContact CZ-CE1 4.35Å; F751-W788 AromaticContact CD1-CH2 3.53Å; F751-W788 HydrophobicContact CD1-CH2 3.53Å; F751-W788 HydrophobicContact CD1-CZ2 4.2Å; F751-W788 AromaticContact CD1-CZ3 3.7Å; F751-W788 HydrophobicContact CD1-CZ3 3.7Å; F751-W788 HydrophobicContact CE1-CE3 4.3Å; F751-W788 AromaticContact CE1-CH2 3.95Å; F751-W788 HydrophobicContact CE1-CH2 3.95Å; F751-W788 HydrophobicContact CE1-CZ2 4.3Å; F751-W788 AromaticContact CE1-CZ3 3.92Å; F751-W788 HydrophobicContact CE1-CZ3 3.92Å
752A93.3Very high94.4Very high21 Ų2157.6 Ų57.617%0.17428%0.283CS..Hα-helixtrans-60.9-44.2175.600000112.7R748 Q749 L755 A756 W788 M791R748-A752 PolarHBondContact O-N 3.37Å; Q749-A752 WeakPolarHBondContact O-CB 3.31Å; Q749-A752 PolarHBondContact O-N 2.93Å; Q749-A752 VanDerWaalsContact O-N 3.14Å; A752-L755 PolarHBondContact O-N 3.17Å; A752-A756 VanDerWaalsContact O-CB 3.31Å; A752-A756 WeakPolarHBondContact O-CB 3.45Å; A752-A756 PolarHBondContact O-N 3.18Å; A752-W788 HydrophobicContact CB-CH2 4.23Å; A752-W788 HydrophobicContact CB-CZ3 3.71Å; A752-M791 HydrophobicContact CB-CE 4.06Å
753E95Very high94.8Very high103 Ų10353 Ų5348%0.48126%0.262SS..Hα-helixtrans-63.8-43.4176.3-69.4171.3-168.300112.1Q749 R750 F751 W757Q749-E753 PolarHBondContact NE2-OE1 3.4Å; Q749-E753 WeakPolarHBondContact O-CG 3.3Å; Q749-E753 PolarHBondContact O-N 3.43Å; R750-E753 PolarHBondContact O-N 2.95Å; F751-E753 PolarHBondContact O-N 3.42Å; E753-W757 PolarHBondContact O-N 3.37Å; E753-W757 VanDerWaalsContact O-N 3.16Å
754G95.5Very high95.1Very high2 Ų252.1 Ų52.12%0.02127%0.273CS..Hα-helixtrans-66.8-41.5177.300000112.9R750 F751 W757 A758R750-G754 PolarHBondContact O-N 2.93Å; F751-G754 PolarHBondContact O-N 3.06Å; G754-W757 PolarHBondContact O-N 3.44Å; G754-A758 WeakPolarHBondContact O-CB 3.16Å; G754-A758 PolarHBondContact O-N 3.12Å
755L95.3Very high95.4Very high2 Ų251.4 Ų51.41%0.0127%0.272CS..Hα-helixtrans-68.7-41.8178.9-171.261.3000111.8L733 F751 A752 W757 A758 V759 W788 L792 F797L733-L755 HydrophobicContact CD1-CD1 3.91Å; F751-L755 HydrophobicContact CE1-CD2 3.81Å; F751-L755 HydrophobicContact CZ-CD2 3.94Å; F751-L755 WeakPolarHBondContact O-CB 3.41Å; F751-L755 PolarHBondContact O-N 3.2Å; A752-L755 PolarHBondContact O-N 3.17Å; L755-W757 VanDerWaalsContact C-N 3.34Å; L755-W757 PolarHBondContact O-N 3.42Å; L755-A758 PolarHBondContact O-N 2.88Å; L755-V759 WeakPolarHBondContact O-CG2 3.26Å; L755-V759 PolarHBondContact O-N 2.88Å; L755-W788 HydrophobicContact CD2-CE3 4.1Å; L755-L792 HydrophobicContact CD2-CD1 3.79Å; L755-L792 HydrophobicContact CG-CD1 3.88Å; L755-F797 HydrophobicContact CD1-CE2 4.02Å; L755-F797 HydrophobicContact CD2-CE2 3.8Å; L755-F797 HydrophobicContact CD2-CZ 3.96Å; L755-F797 HydrophobicContact CG-CE2 4.09Å
756A95.7Very high95.6Very high46 Ų4650.4 Ų50.438%0.3827%0.268SS..Hα-helixtrans-59.2-45.3174.200000111.7A752 V759 E760 L792A752-A756 VanDerWaalsContact O-CB 3.31Å; A752-A756 WeakPolarHBondContact O-CB 3.45Å; A752-A756 PolarHBondContact O-N 3.18Å; A756-V759 PolarHBondContact O-N 3.36Å; A756-E760 PolarHBondContact O-N 3.49Å; A756-E760 VanDerWaalsContact O-N 3.14Å; A756-L792 HydrophobicContact CB-CD2 3.73Å
757W97.1Very high95.8Very high49 Ų4949.5 Ų49.519%0.18626%0.258CS..Hα-helixtrans-61.7-44.3173.6170.182.1000112.1F701 R713 M716 S717 E753 G754 L755 V759 E760 Q761F701-W757 HydrophobicContact CE1-CE3 4.25Å; F701-W757 HydrophobicContact CE1-CZ3 4.13Å; F701-W757 HydrophobicContact CZ-CE3 4.43Å; F701-W757 HydrophobicContact CZ-CZ3 4.23Å; R713-W757 HydrophobicContact CB-CH2 3.61Å; R713-W757 HydrophobicContact CB-CZ2 4.17Å; R713-W757 HydrophobicContact CB-CZ3 3.8Å; R713-W757 HydrophobicContact CG-CD2 4.4Å; R713-W757 HydrophobicContact CG-CE3 3.94Å; R713-W757 HydrophobicContact CG-CH2 3.95Å; R713-W757 HydrophobicContact CG-CZ2 4.37Å; R713-W757 HydrophobicContact CG-CZ3 3.71Å; R713-W757 VanDerWaalsContact NH1-CD1 3.27Å; R713-W757 WeakPolarHBondContact O-CH2 3.42Å; M716-W757 HydrophobicContact CB-CH2 4.34Å; M716-W757 HydrophobicContact CB-CZ3 3.91Å; M716-W757 HydrophobicContact CG-CH2 4.42Å; M716-W757 HydrophobicContact CG-CZ3 3.88Å; S717-W757 WeakPolarHBondContact OG-CH2 3.44Å; E753-W757 PolarHBondContact O-N 3.37Å; E753-W757 VanDerWaalsContact O-N 3.16Å; G754-W757 PolarHBondContact O-N 3.44Å; L755-W757 VanDerWaalsContact C-N 3.34Å; L755-W757 PolarHBondContact O-N 3.42Å; W757-V759 VanDerWaalsContact C-N 3.34Å; W757-V759 PolarHBondContact O-N 3.33Å; W757-E760 WeakPolarHBondContact O-CB 3.48Å; W757-E760 PolarHBondContact O-N 3.01Å; W757-Q761 HydrophobicContact CD2-CG 4.03Å; W757-Q761 HydrophobicContact CH2-CG 4.11Å; W757-Q761 HydrophobicContact CZ2-CG 3.6Å; W757-Q761 WeakPolarHBondContact O-CG 3.48Å; W757-Q761 PolarHBondContact O-N 3.06Å
758A97.1Very high95.9Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-61.2-43.5179.900000111.6F701 M716 G754 L755 E760 Q761 A762 L769F701-A758 HydrophobicContact CE2-CB 4.25Å; F701-A758 HydrophobicContact CZ-CB 4.15Å; M716-A758 HydrophobicContact CE-CB 3.78Å; M716-A758 HydrophobicContact CG-CB 3.91Å; M716-A758 HydrophobicContact SD-CB 4.26Å; G754-A758 WeakPolarHBondContact O-CB 3.16Å; G754-A758 PolarHBondContact O-N 3.12Å; L755-A758 PolarHBondContact O-N 2.88Å; A758-E760 VanDerWaalsContact C-N 3.31Å; A758-E760 PolarHBondContact O-N 3.3Å; A758-Q761 PolarHBondContact O-N 3.08Å; A758-A762 WeakPolarHBondContact O-CB 3.47Å; A758-A762 PolarHBondContact O-N 2.94Å; A758-L769 VanDerWaalsContact C-CD1 3.46Å; A758-L769 HydrophobicContact CB-CD1 3.78Å; A758-L769 WeakPolarHBondContact O-CD1 3.39Å
759V97Very high96.2Very high8 Ų846.4 Ų46.45%0.04825%0.25CC..Hα-helixtrans-60.6-40.6176.4169.60000111.4L755 A756 W757 A762 A763 L769 L792 S794 F797L755-V759 WeakPolarHBondContact O-CG2 3.26Å; L755-V759 PolarHBondContact O-N 2.88Å; A756-V759 PolarHBondContact O-N 3.36Å; W757-V759 VanDerWaalsContact C-N 3.34Å; W757-V759 PolarHBondContact O-N 3.33Å; V759-A762 PolarHBondContact O-N 3.3Å; V759-A763 VanDerWaalsContact O-CB 3.23Å; V759-A763 WeakPolarHBondContact O-CB 3.45Å; V759-A763 PolarHBondContact O-N 2.92Å; V759-L769 HydrophobicContact CG2-CD1 4Å; V759-L792 HydrophobicContact CG2-CD1 4.24Å; V759-S794 VanDerWaalsContact CG1-CB 3.43Å; V759-S794 VanDerWaalsContact CG1-OG 3.28Å; V759-S794 WeakPolarHBondContact CG1-OG 3.25Å; V759-F797 HydrophobicContact CG1-CB 4.38Å; V759-F797 HydrophobicContact CG2-CB 4.02Å; V759-F797 HydrophobicContact CG2-CD2 3.64Å; V759-F797 HydrophobicContact CG2-CG 4.16Å
760E96.6Very high96.3Very high131 Ų13140.7 Ų40.761%0.61222%0.223SC*.Hα-helixtrans-62.3-45.3174.8-173.4-177.2-167.400111.8A756 W757 A758 A763 A764A756-E760 PolarHBondContact O-N 3.49Å; A756-E760 VanDerWaalsContact O-N 3.14Å; W757-E760 WeakPolarHBondContact O-CB 3.48Å; W757-E760 PolarHBondContact O-N 3.01Å; A758-E760 VanDerWaalsContact C-N 3.31Å; A758-E760 PolarHBondContact O-N 3.3Å; E760-A763 PolarHBondContact O-N 3.39Å; E760-A764 PolarHBondContact O-N 3.45Å; E760-A764 VanDerWaalsContact O-N 3.08Å
761Q97.4Very high96.3Very high65 Ų6538.2 Ų38.230%0.30421%0.214SC..Hα-helixtrans-65.1-40.5178.4-62.4-51.2-74.700112.5I720 W757 A758 A764 S765I720-Q761 HydrophobicContact CD1-CB 3.64Å; W757-Q761 HydrophobicContact CD2-CG 4.03Å; W757-Q761 HydrophobicContact CH2-CG 4.11Å; W757-Q761 HydrophobicContact CZ2-CG 3.6Å; W757-Q761 WeakPolarHBondContact O-CG 3.48Å; W757-Q761 PolarHBondContact O-N 3.06Å; A758-Q761 PolarHBondContact O-N 3.08Å; Q761-A764 PolarHBondContact O-N 3.36Å; Q761-S765 PolarHBondContact O-N 3.29Å; Q761-S765 PolarHBondContact O-OG 3.19Å
762A96.7Very high96.2Very high0 Ų038.3 Ų38.30%021%0.214CC..Hα-helixtrans-68.7-42.3179.900000111I720 A758 V759 A764 S765 Q766 V767 L769I720-A762 HydrophobicContact CD1-CB 4.07Å; I720-A762 HydrophobicContact CG1-CB 4.41Å; A758-A762 WeakPolarHBondContact O-CB 3.47Å; A758-A762 PolarHBondContact O-N 2.94Å; V759-A762 PolarHBondContact O-N 3.3Å; A762-A764 VanDerWaalsContact C-N 3.33Å; A762-A764 PolarHBondContact O-N 2.86Å; A762-S765 CarbonylContact O-C 3.55Å; A762-S765 PolarHBondContact O-N 3.35Å; A762-Q766 PolarHBondContact O-N 3.42Å; A762-V767 CarbonylContact C-O 3.56Å; A762-V767 VanDerWaalsContact CB-O 3.3Å; A762-V767 WeakPolarHBondContact CB-O 3.33Å; A762-V767 PolarHBondContact O-N 3.33Å; A762-L769 HydrophobicContact CB-CD1 3.8Å; A762-L769 HydrophobicContact CB-CD2 3.8Å; A762-L769 HydrophobicContact CB-CG 3.51Å
763A96.1Very high96.2Very high28 Ų2837.3 Ų37.323%0.23121%0.206CC..Hα-helixtrans-57.7-43.4173.400000112.4V759 E760 S765 Q766 W796V759-A763 VanDerWaalsContact O-CB 3.23Å; V759-A763 WeakPolarHBondContact O-CB 3.45Å; V759-A763 PolarHBondContact O-N 2.92Å; E760-A763 PolarHBondContact O-N 3.39Å; A763-S765 PolarHBondContact O-N 3.43Å; A763-Q766 PolarHBondContact O-N 3.12Å; A763-Q766 VanDerWaalsContact O-N 3.09Å; A763-W796 HydrophobicContact CB-CB 4.17Å; A763-W796 HydrophobicContact CB-CD2 4.28Å; A763-W796 HydrophobicContact CB-CG 3.65Å
764A96.4Very high96Very high85 Ų8532.6 Ų32.670%0.70218%0.184SC*.Hα-helixtrans-63.1-24.2176.900000113.4E760 Q761 A762E760-A764 PolarHBondContact O-N 3.45Å; E760-A764 VanDerWaalsContact O-N 3.08Å; Q761-A764 PolarHBondContact O-N 3.36Å; A762-A764 VanDerWaalsContact C-N 3.33Å; A762-A764 PolarHBondContact O-N 2.86Å
765S96.6Very high95.3Very high39 Ų3934 Ų3427%0.27319%0.191SC..THydrogen-bonded Turntrans-101.84.2176.8-56.90000113.5I720 Q761 A762 A763 V767I720-S765 WeakPolarHBondContact CG2-OG 3.44Å; Q761-S765 PolarHBondContact O-N 3.29Å; Q761-S765 PolarHBondContact O-OG 3.19Å; A762-S765 CarbonylContact O-C 3.55Å; A762-S765 PolarHBondContact O-N 3.35Å; A763-S765 PolarHBondContact O-N 3.43Å; S765-V767 VanDerWaalsContact C-N 3.26Å; S765-V767 PolarHBondContact O-N 3.1Å
766Q96.1Very high94.8Very high152 Ų15235.6 Ų35.671%0.7120%0.201SC*.THydrogen-bonded Turntrans54.538.9-174.6-59-174.6-50.900113.9A762 A763 W796A762-Q766 PolarHBondContact O-N 3.42Å; A763-Q766 PolarHBondContact O-N 3.12Å; A763-Q766 VanDerWaalsContact O-N 3.09Å; Q766-W796 HydrophobicContact CB-CH2 3.5Å; Q766-W796 VanDerWaalsContact CB-CH2 3.5Å; Q766-W796 HydrophobicContact CB-CZ2 4.25Å; Q766-W796 HydrophobicContact CB-CZ3 3.92Å; Q766-W796 HydrophobicContact CG-CH2 3.8Å; Q766-W796 HydrophobicContact CG-CZ2 4.1Å; Q766-W796 VanDerWaalsContact O-CZ3 3.32Å; Q766-W796 WeakPolarHBondContact O-CZ3 3.3Å
767V97.4Very high94.2Very high3 Ų336.3 Ų36.32%0.01821%0.207CC..  trans-110.1135.8175.1178.30000108.6A723 I731 A762 S765A723-V767 HydrophobicContact CB-CG1 4.22Å; A723-V767 HydrophobicContact CB-CG2 4.3Å; I731-V767 HydrophobicContact CD1-CG1 3.9Å; I731-V767 HydrophobicContact CG1-CG1 3.87Å; A762-V767 CarbonylContact C-O 3.56Å; A762-V767 VanDerWaalsContact CB-O 3.3Å; A762-V767 WeakPolarHBondContact CB-O 3.33Å; A762-V767 PolarHBondContact O-N 3.33Å; S765-V767 VanDerWaalsContact C-N 3.26Å; S765-V767 PolarHBondContact O-N 3.1Å
768M97.6Very high93.8Very high57 Ų5735.7 Ų35.728%0.28121%0.205SC..EExtended strand (participates in β ladder)trans-84141.2175.2-65-178.2-68.700110.7R729 T730 I731 W796 T798R729-M768 HydrophobicContact CB-CE 4.48Å; R729-M768 PolarHBondContact O-N 3.49Å; T730-M768 CarbonylContact C-O 3.54Å; T730-M768 WeakPolarHBondContact CA-O 3.25Å; T730-M768 WeakPolarHBondContact OG1-CE 3.43Å; I731-M768 PolarHBondContact N-O 3.07Å; M768-W796 HydrophobicContact CG-CE3 3.97Å; M768-W796 HydrophobicContact CG-CZ3 4.37Å; M768-T798 HydrophobicContact SD-CG2 4.29Å
769L97.7Very high93.5Very high0 Ų035.7 Ų35.70%021%0.206CC..EExtended strand (participates in β ladder)trans-104.1115.9167.6-60.3-175.8000108.6M716 I731 L733 A758 V759 A762 W796 F797 T798M716-L769 HydrophobicContact CE-CD1 4.39Å; M716-L769 HydrophobicContact CE-CD2 4.41Å; M716-L769 HydrophobicContact SD-CD2 4.18Å; I731-L769 HydrophobicContact CB-CD2 3.84Å; I731-L769 HydrophobicContact CD1-CD2 4.37Å; I731-L769 HydrophobicContact CG2-CD2 4.33Å; I731-L769 WeakPolarHBondContact O-CA 3.25Å; L733-L769 HydrophobicContact CD1-CB 4.01Å; L733-L769 HydrophobicContact CD1-CD1 4.08Å; L733-L769 HydrophobicContact CD1-CD2 4.37Å; L733-L769 HydrophobicContact CD1-CG 4.37Å; A758-L769 VanDerWaalsContact C-CD1 3.46Å; A758-L769 HydrophobicContact CB-CD1 3.78Å; A758-L769 WeakPolarHBondContact O-CD1 3.39Å; V759-L769 HydrophobicContact CG2-CD1 4Å; A762-L769 HydrophobicContact CB-CD1 3.8Å; A762-L769 HydrophobicContact CB-CD2 3.8Å; A762-L769 HydrophobicContact CB-CG 3.51Å; L769-W796 PolarHBondContact N-O 2.92Å; L769-F797 WeakPolarHBondContact O-CA 3.36Å; L769-T798 PolarHBondContact O-N 3.49Å; L769-T798 PolarHBondContact O-OG1 3.36Å
770A96.8Very high93.2Very high0 Ų036 Ų360%021%0.207CC..EExtended strand (participates in β ladder)trans-110119.2-179.500000110.1T730 I731 Q732 L733 T798 Y800 A825T730-A770 HydrophobicContact CG2-CB 3.45Å; T730-A770 VanDerWaalsContact CG2-CB 3.45Å; I731-A770 PolarHBondContact O-N 2.98Å; Q732-A770 CarbonylContact C-O 3.36Å; Q732-A770 WeakPolarHBondContact CA-O 3.47Å; L733-A770 PolarHBondContact N-O 2.92Å; A770-T798 CarbonylContact C-O 3.48Å; A770-T798 WeakPolarHBondContact CA-O 3.15Å; A770-T798 WeakPolarHBondContact CA-OG1 3.33Å; A770-T798 VanDerWaalsContact CB-OG1 3.27Å; A770-T798 WeakPolarHBondContact CB-OG1 3.39Å; A770-Y800 HydrophobicContact CB-CD2 4.1Å; A770-Y800 HydrophobicContact CB-CG 4.44Å; A770-A825 HydrophobicContact CB-CB 3.87Å
771V95.5Very high93.2Very high1 Ų130.1 Ų30.11%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-82.9124179.4177.60000109.7L733 M779 F797 T798 Y800L733-V771 CarbonylContact O-C 3.57Å; L733-V771 WeakPolarHBondContact O-CA 3.41Å; V771-M779 HydrophobicContact CG1-CE 4.44Å; V771-M779 HydrophobicContact CG1-CG 4.06Å; V771-F797 HydrophobicContact CB-CZ 4.45Å; V771-F797 HydrophobicContact CG2-CD2 4.41Å; V771-F797 HydrophobicContact CG2-CE2 3.33Å; V771-F797 HydrophobicContact CG2-CZ 3.49Å; V771-F797 VanDerWaalsContact CG2-CZ 3.49Å; V771-T798 PolarHBondContact N-O 2.9Å; V771-Y800 PolarHBondContact O-N 3.4Å
772E94.2Very high93.1Very high12 Ų1227 Ų276%0.05617%0.166CC..EExtended strand (participates in β ladder)trans-70138.4173.3-173-179.5-157.400110.6Q732 L733 M774 Y800 H828Q732-E772 HydrophobicContact CG-CB 3.89Å; L733-E772 PolarHBondContact O-N 3.02Å; E772-M774 HydrophobicContact CB-SD 3.8Å; E772-M774 HydrophobicContact CG-SD 3.78Å; E772-M774 PolarHBondContact O-N 3.42Å; E772-Y800 VanDerWaalsContact CA-O 3.31Å; E772-Y800 WeakPolarHBondContact CA-O 3.25Å; E772-H828 IonicContact OE1-CE1 2.86Å; E772-H828 IonicContact OE1-ND1 3.78Å; E772-H828 PolarHBondContact OE1-ND1 3.42Å
773I93.4Very high93.1Very high0 Ų029.3 Ų29.30%018%0.181CC..PPolyproline II helixtrans-77.8116.4168.7-61.1-52000108.3M779 S781 I782 W785 V799 Y800 P801 N805 L806I773-M779 WeakPolarHBondContact CA-O 3.36Å; I773-M779 HydrophobicContact CD1-CG 4.35Å; I773-S781 VanDerWaalsContact CD1-C 3.5Å; I773-S781 WeakPolarHBondContact CD1-O 3.45Å; I773-I782 HydrophobicContact CD1-CG1 4.22Å; I773-I782 HydrophobicContact CG1-CG1 4.06Å; I773-W785 HydrophobicContact CD1-CB 4.15Å; I773-V799 HydrophobicContact CD1-CG2 3.89Å; I773-V799 HydrophobicContact CG1-CG2 4.06Å; I773-Y800 PolarHBondContact N-O 3.09Å; I773-P801 HydrophobicContact CG1-CB 4.33Å; I773-N805 WeakPolarHBondContact O-CB 3.37Å; I773-N805 PolarHBondContact O-ND2 2.89Å; I773-L806 HydrophobicContact CG2-CD2 3.89Å; I773-L806 HydrophobicContact CG2-CG 4.01Å
774M89.2Confident93Very high4 Ų431.3 Ų31.32%0.0219%0.185CC..PPolyproline II helixtrans-97.6167.9-165.2-62.7-56.9-5900114.2A734 Y736 E772 T776 M779 W809A734-M774 HydrophobicContact CB-CE 3.8Å; A734-M774 HydrophobicContact CB-CG 4.4Å; A734-M774 HydrophobicContact CB-SD 3.56Å; A734-M774 VanDerWaalsContact CB-SD 3.56Å; Y736-M774 HydrophobicContact CD1-CE 4.36Å; Y736-M774 HydrophobicContact CE1-CE 4.16Å; E772-M774 HydrophobicContact CB-SD 3.8Å; E772-M774 HydrophobicContact CG-SD 3.78Å; E772-M774 PolarHBondContact O-N 3.42Å; M774-T776 PolarHBondContact O-N 2.92Å; M774-M779 PolarHBondContact N-O 3.25Å; M774-W809 PolarHBondContact O-NE1 3.47Å
775D81.4Confident92.9Very high33 Ų3327.2 Ų27.218%0.17615%0.151CC..SBendtrans-72.77.5166.560.6-18.4000114W809 F843D775-W809 VanDerWaalsContact O-CZ2 3.29Å; D775-W809 WeakPolarHBondContact O-CZ2 3.5Å; D775-F843 HydrophobicContact CB-CB 4.02Å; D775-F843 HydrophobicContact CB-CD1 3.66Å; D775-F843 HydrophobicContact CB-CD2 3.77Å; D775-F843 HydrophobicContact CB-CE1 3.9Å; D775-F843 HydrophobicContact CB-CE2 4.06Å; D775-F843 HydrophobicContact CB-CG 3.55Å; D775-F843 HydrophobicContact CB-CZ 4.1Å
776T84.1Confident92.9Very high35 Ų3527.4 Ų27.422%0.21515%0.147CC..SBendtrans-115.2149.817972.50000111.7Y739 M774 F778 M779 N780Y739-T776 HydrophobicContact CE2-CG2 4.35Å; M774-T776 PolarHBondContact O-N 2.92Å; T776-F778 PolarHBondContact O-N 3.45Å; T776-M779 PolarHBondContact O-N 3.17Å; T776-N780 VanDerWaalsContact O-CB 3.29Å; T776-N780 WeakPolarHBondContact O-CB 3.33Å; T776-N780 PolarHBondContact O-N 2.77Å
777A83.7Confident92.8Very high61 Ų6126.7 Ų26.750%0.50414%0.142SC..THydrogen-bonded Turntrans-62.7-13.7-177.900000114.7K784 W809A777-K784 PolarHBondContact O-NZ 3.27Å; A777-W809 HydrophobicContact CB-CH2 4.49Å
778F88.6Confident92.6Very high35 Ų3527.3 Ų27.315%0.15414%0.144CC..THydrogen-bonded Turntrans-68-47.2-178.8-176.2-98.3000112.5G735 D737 H743 R748 F751 T776 W788G735-F778 WeakPolarHBondContact O-CD1 3.36Å; D737-F778 HydrophobicContact CB-CD2 4.48Å; D737-F778 HydrophobicContact CB-CE1 4.19Å; D737-F778 HydrophobicContact CB-CE2 3.84Å; D737-F778 HydrophobicContact CB-CZ 3.65Å; H743-F778 AromaticContact CE1-CD2 3.67Å; H743-F778 AromaticContact CE1-CE2 3.68Å; H743-F778 AromaticContact ND1-CD2 3.9Å; R748-F778 HydrophobicContact CG-CE2 4.13Å; R748-F778 HydrophobicContact CG-CZ 4.46Å; F751-F778 HydrophobicContact CD1-CE1 4.04Å; F751-F778 AromaticContact CD1-CZ 3.87Å; F751-F778 HydrophobicContact CD1-CZ 3.87Å; F751-F778 AromaticContact CE1-CE1 3.76Å; F751-F778 HydrophobicContact CE1-CE1 3.76Å; F751-F778 HydrophobicContact CE1-CZ 4.04Å; F751-F778 HydrophobicContact CZ-CE1 4.35Å; T776-F778 PolarHBondContact O-N 3.45Å; F778-W788 HydrophobicContact CE1-CZ2 4.06Å; F778-W788 HydrophobicContact CE2-CZ2 4.2Å; F778-W788 AromaticContact CZ-CH2 3.99Å; F778-W788 HydrophobicContact CZ-CH2 3.99Å; F778-W788 AromaticContact CZ-CZ2 3.43Å; F778-W788 HydrophobicContact CZ-CZ2 3.43Å; F778-W788 VanDerWaalsContact CZ-CZ2 3.43Å
779M90.6Very high92.5Very high1 Ų125 Ų251%0.00513%0.132CC..SBendtrans-136.452.4-178.7-157.27866.900112.4G735 V771 I773 M774 T776 K784 W785 W788G735-M779 WeakPolarHBondContact O-CB 3.06Å; V771-M779 HydrophobicContact CG1-CE 4.44Å; V771-M779 HydrophobicContact CG1-CG 4.06Å; I773-M779 WeakPolarHBondContact CA-O 3.36Å; I773-M779 HydrophobicContact CD1-CG 4.35Å; M774-M779 PolarHBondContact N-O 3.25Å; T776-M779 PolarHBondContact O-N 3.17Å; M779-K784 HydrophobicContact SD-CB 4.19Å; M779-W785 HydrophobicContact CG-CB 4.42Å; M779-W785 WeakPolarHBondContact SD-CA 3.49Å; M779-W785 HydrophobicContact SD-CB 3.84Å; M779-W785 PolarHBondContact SD-N 2.81Å; M779-W785 VanDerWaalsContact SD-N 3.43Å; M779-W788 HydrophobicContact CE-CD2 4.26Å; M779-W788 HydrophobicContact CE-CG 3.98Å; M779-W788 VanDerWaalsContact CE-NE1 3.32Å
780N92.1Very high92.3Very high14 Ų1431.4 Ų31.48%0.07516%0.162CC..  trans-88.710.2-179.464.6-7000115.7T776 K784 W809 N811T776-N780 VanDerWaalsContact O-CB 3.29Å; T776-N780 WeakPolarHBondContact O-CB 3.33Å; T776-N780 PolarHBondContact O-N 2.77Å; N780-K784 WeakPolarHBondContact OD1-CD 3.3Å; N780-K784 VanDerWaalsContact OD1-CE 3.32Å; N780-K784 WeakPolarHBondContact OD1-CE 3.26Å; N780-K784 PolarHBondContact OD1-NZ 3.13Å; N780-W809 HydrophobicContact CB-CD2 4.04Å; N780-W809 HydrophobicContact CB-CG 3.77Å; N780-W809 VanDerWaalsContact ND2-CD2 3.25Å; N780-N811 PolarHBondContact O-ND2 3.29Å
781S94.6Very high92.1Very high8 Ų836.5 Ų36.56%0.05619%0.188CC..SBendtrans-153154174.9730000112.2I773 S783 K784 W785 E816I773-S781 VanDerWaalsContact CD1-C 3.5Å; I773-S781 WeakPolarHBondContact CD1-O 3.45Å; S781-S783 PolarHBondContact O-N 2.59Å; S781-K784 PolarHBondContact O-N 3.34Å; S781-K784 VanDerWaalsContact O-N 3.14Å; S781-K784 PolarHBondContact OG-N 2.98Å; S781-W785 PolarHBondContact O-N 2.71Å; S781-W785 VanDerWaalsContact O-N 3.13Å; S781-E816 WeakPolarHBondContact CB-OE2 3.32Å
782I96Very high92Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-62.8-35173.5-62.8172.3000109.6I773 K784 W785 K786 V799 P801 L806 E816 L817 L819I773-I782 HydrophobicContact CD1-CG1 4.22Å; I773-I782 HydrophobicContact CG1-CG1 4.06Å; I782-K784 VanDerWaalsContact C-N 3.27Å; I782-K784 PolarHBondContact O-N 2.82Å; I782-W785 HydrophobicContact CG2-CE3 4.14Å; I782-W785 CarbonylContact O-C 3.53Å; I782-W785 WeakPolarHBondContact O-CB 3.43Å; I782-W785 PolarHBondContact O-N 3.29Å; I782-W785 VanDerWaalsContact O-N 3.13Å; I782-K786 WeakPolarHBondContact O-CB 3.49Å; I782-K786 PolarHBondContact O-N 3.3Å; I782-V799 HydrophobicContact CG1-CG2 4.24Å; I782-P801 HydrophobicContact CD1-CB 3.98Å; I782-P801 HydrophobicContact CD1-CG 4.43Å; I782-P801 HydrophobicContact CG1-CB 4.41Å; I782-L806 HydrophobicContact CD1-CD1 4.23Å; I782-E816 VanDerWaalsContact CA-OE2 3.25Å; I782-E816 WeakPolarHBondContact CA-OE2 3.29Å; I782-E816 HydrophobicContact CB-CB 4.35Å; I782-E816 VanDerWaalsContact CB-OE2 3.26Å; I782-E816 WeakPolarHBondContact CB-OE2 2.75Å; I782-E816 HydrophobicContact CD1-CB 4.16Å; I782-E816 WeakPolarHBondContact CD1-O 3.37Å; I782-E816 HydrophobicContact CG1-CB 4.46Å; I782-E816 PolarHBondContact N-OE2 2.99Å; I782-L817 HydrophobicContact CD1-CD2 4.39Å; I782-L819 HydrophobicContact CG2-CB 4.42Å; I782-L819 HydrophobicContact CG2-CD2 4.46Å; I782-L819 HydrophobicContact CG2-CG 4.47Å
783S96.1Very high91.9Very high47 Ų4741.3 Ų41.333%0.32923%0.225SC..Hα-helixtrans-56.7-37172.8-70.40000113.3S781 E816 L819S781-S783 PolarHBondContact O-N 2.59Å; S783-E816 WeakPolarHBondContact CB-OE1 3.27Å; S783-E816 PolarHBondContact N-OE2 3.24Å; S783-E816 PolarHBondContact OG-OE1 3.08Å; S783-E816 PolarHBondContact OG-OE2 3.21Å; S783-L819 VanDerWaalsContact OG-CD2 3.28Å; S783-L819 WeakPolarHBondContact OG-CD2 3.05Å
784K94.2Very high92Very high70 Ų7042.1 Ų42.130%0.30423%0.23SC..Hα-helixtrans-72.9-43.9173.6-75.1179.7-178.6172.60111.2A777 M779 N780 S781 I782 K786 K787A777-K784 PolarHBondContact O-NZ 3.27Å; M779-K784 HydrophobicContact SD-CB 4.19Å; N780-K784 WeakPolarHBondContact OD1-CD 3.3Å; N780-K784 VanDerWaalsContact OD1-CE 3.32Å; N780-K784 WeakPolarHBondContact OD1-CE 3.26Å; N780-K784 PolarHBondContact OD1-NZ 3.13Å; S781-K784 PolarHBondContact O-N 3.34Å; S781-K784 VanDerWaalsContact O-N 3.14Å; S781-K784 PolarHBondContact OG-N 2.98Å; I782-K784 VanDerWaalsContact C-N 3.27Å; I782-K784 PolarHBondContact O-N 2.82Å; K784-K786 VanDerWaalsContact C-N 3.25Å; K784-K786 PolarHBondContact O-N 3.2Å; K784-K787 PolarHBondContact O-N 2.83Å
785W95.8Very high92.2Very high0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-57.9-37.4175.1171.785.8000112.4I773 M779 S781 I782 K787 W788 D789 F797 T798 V799 R823I773-W785 HydrophobicContact CD1-CB 4.15Å; M779-W785 HydrophobicContact CG-CB 4.42Å; M779-W785 WeakPolarHBondContact SD-CA 3.49Å; M779-W785 HydrophobicContact SD-CB 3.84Å; M779-W785 PolarHBondContact SD-N 2.81Å; M779-W785 VanDerWaalsContact SD-N 3.43Å; S781-W785 PolarHBondContact O-N 2.71Å; S781-W785 VanDerWaalsContact O-N 3.13Å; I782-W785 HydrophobicContact CG2-CE3 4.14Å; I782-W785 CarbonylContact O-C 3.53Å; I782-W785 WeakPolarHBondContact O-CB 3.43Å; I782-W785 PolarHBondContact O-N 3.29Å; I782-W785 VanDerWaalsContact O-N 3.13Å; W785-K787 PolarHBondContact O-N 2.89Å; W785-K787 VanDerWaalsContact O-N 3.15Å; W785-W788 WeakPolarHBondContact O-CA 3.31Å; W785-W788 WeakPolarHBondContact O-CB 3.38Å; W785-W788 PolarHBondContact O-N 3.46Å; W785-D789 HydrophobicContact CD2-CB 4.41Å; W785-D789 HydrophobicContact CE3-CB 4.27Å; W785-D789 HydrophobicContact CH2-CB 3.53Å; W785-D789 VanDerWaalsContact CH2-CG 3.47Å; W785-D789 HydrophobicContact CZ2-CB 3.74Å; W785-D789 HydrophobicContact CZ3-CB 3.85Å; W785-D789 PolarHBondContact O-N 3.24Å; W785-F797 AromaticContact CD1-CE1 3.93Å; W785-F797 AromaticContact CD1-CZ 3.98Å; W785-F797 AromaticContact CE2-CE1 3.76Å; W785-F797 HydrophobicContact CZ2-CD1 4.02Å; W785-F797 HydrophobicContact CZ2-CE1 4.06Å; W785-F797 AromaticContact NE1-CD1 3.94Å; W785-F797 AromaticContact NE1-CE1 3.21Å; W785-F797 AromaticContact NE1-CZ 3.5Å; W785-T798 PolarHBondContact NE1-O 2.86Å; W785-T798 VanDerWaalsContact NE1-O 3.1Å; W785-V799 HydrophobicContact CB-CG2 4.45Å; W785-V799 HydrophobicContact CD2-CB 3.64Å; W785-V799 HydrophobicContact CD2-CG1 4.43Å; W785-V799 HydrophobicContact CD2-CG2 3.96Å; W785-V799 HydrophobicContact CE3-CB 3.92Å; W785-V799 HydrophobicContact CE3-CG1 4.22Å; W785-V799 HydrophobicContact CE3-CG2 4.35Å; W785-V799 HydrophobicContact CG-CB 4.12Å; W785-V799 HydrophobicContact CG-CG2 3.97Å; W785-V799 HydrophobicContact CH2-CB 4.26Å; W785-V799 HydrophobicContact CH2-CG1 4.35Å; W785-V799 HydrophobicContact CZ2-CB 3.96Å; W785-V799 HydrophobicContact CZ3-CB 4.22Å; W785-V799 HydrophobicContact CZ3-CG1 4.18Å; W785-R823 HydrophobicContact CH2-CB 3.42Å; W785-R823 VanDerWaalsContact CH2-CB 3.42Å; W785-R823 HydrophobicContact CH2-CG 3.71Å; W785-R823 HydrophobicContact CZ2-CB 4.3Å; W785-R823 HydrophobicContact CZ3-CB 4Å; W785-R823 HydrophobicContact CZ3-CG 4.34Å
786K95.1Very high92.9Very high43 Ų4347.8 Ų47.819%0.18726%0.26CS..Hα-helixtrans-58.2-33.1-178.4-166.364.5178.3171.40113I782 K784 W788 D789 E790 L819I782-K786 WeakPolarHBondContact O-CB 3.49Å; I782-K786 PolarHBondContact O-N 3.3Å; K784-K786 VanDerWaalsContact C-N 3.25Å; K784-K786 PolarHBondContact O-N 3.2Å; K786-W788 VanDerWaalsContact C-N 3.27Å; K786-W788 PolarHBondContact O-N 2.84Å; K786-D789 HydrophobicContact CD-CB 4.44Å; K786-D789 IonicContact NZ-OD2 3.5Å; K786-D789 PolarHBondContact NZ-OD2 3.29Å; K786-D789 WeakPolarHBondContact O-CB 3.5Å; K786-D789 PolarHBondContact O-N 3.39Å; K786-E790 WeakPolarHBondContact O-CB 3.44Å; K786-E790 VanDerWaalsContact O-CG 3.32Å; K786-E790 WeakPolarHBondContact O-CG 3.4Å; K786-E790 PolarHBondContact O-N 3.12Å; K786-L819 HydrophobicContact CB-CD2 4.47Å
787K93.9Very high93.5Very high136 Ų13646.1 Ų46.159%0.59125%0.25SC*.Hα-helixtrans-65.1-32.7174.6-61.1178.7-178.9177.70112.3K784 W785 M791K784-K787 PolarHBondContact O-N 2.83Å; W785-K787 PolarHBondContact O-N 2.89Å; W785-K787 VanDerWaalsContact O-N 3.15Å; K787-M791 WeakPolarHBondContact O-CB 3.48Å; K787-M791 PolarHBondContact O-N 3.41Å
788W93.9Very high94.1Very high16 Ų1643.6 Ų43.66%0.06123%0.228CC..Hα-helixtrans-77.7-39.2175.2-64.587.7000111.5R748 F751 A752 L755 F778 M779 W785 K786 E790 M791 L792 F797R748-W788 HydrophobicContact CG-CH2 4.06Å; R748-W788 HydrophobicContact CG-CZ2 4.22Å; F751-W788 AromaticContact CD1-CH2 3.53Å; F751-W788 HydrophobicContact CD1-CH2 3.53Å; F751-W788 HydrophobicContact CD1-CZ2 4.2Å; F751-W788 AromaticContact CD1-CZ3 3.7Å; F751-W788 HydrophobicContact CD1-CZ3 3.7Å; F751-W788 HydrophobicContact CE1-CE3 4.3Å; F751-W788 AromaticContact CE1-CH2 3.95Å; F751-W788 HydrophobicContact CE1-CH2 3.95Å; F751-W788 HydrophobicContact CE1-CZ2 4.3Å; F751-W788 AromaticContact CE1-CZ3 3.92Å; F751-W788 HydrophobicContact CE1-CZ3 3.92Å; A752-W788 HydrophobicContact CB-CH2 4.23Å; A752-W788 HydrophobicContact CB-CZ3 3.71Å; L755-W788 HydrophobicContact CD2-CE3 4.1Å; F778-W788 HydrophobicContact CE1-CZ2 4.06Å; F778-W788 HydrophobicContact CE2-CZ2 4.2Å; F778-W788 AromaticContact CZ-CH2 3.99Å; F778-W788 HydrophobicContact CZ-CH2 3.99Å; F778-W788 AromaticContact CZ-CZ2 3.43Å; F778-W788 HydrophobicContact CZ-CZ2 3.43Å; F778-W788 VanDerWaalsContact CZ-CZ2 3.43Å; M779-W788 HydrophobicContact CE-CD2 4.26Å; M779-W788 HydrophobicContact CE-CG 3.98Å; M779-W788 VanDerWaalsContact CE-NE1 3.32Å; W785-W788 WeakPolarHBondContact O-CA 3.31Å; W785-W788 WeakPolarHBondContact O-CB 3.38Å; W785-W788 PolarHBondContact O-N 3.46Å; K786-W788 VanDerWaalsContact C-N 3.27Å; K786-W788 PolarHBondContact O-N 2.84Å; W788-E790 VanDerWaalsContact C-N 3.35Å; W788-E790 PolarHBondContact O-N 2.79Å; W788-M791 HydrophobicContact CD2-CE 4.26Å; W788-M791 HydrophobicContact CE3-CE 3.33Å; W788-M791 HydrophobicContact CZ3-CE 3.59Å; W788-M791 PolarHBondContact O-N 2.79Å; W788-L792 WeakPolarHBondContact O-CB 3.43Å; W788-L792 WeakPolarHBondContact O-CG 3.47Å; W788-L792 PolarHBondContact O-N 3.05Å; W788-F797 HydrophobicContact CB-CE1 4.05Å; W788-F797 HydrophobicContact CB-CZ 4.2Å
789D94.8Very high94.5Very high8 Ų841.9 Ų41.94%0.04322%0.221CC..Hα-helixtrans-56.6-47.4171.6178.146.1000111.2W785 K786 M791 L792 A793 F797 R823W785-D789 HydrophobicContact CD2-CB 4.41Å; W785-D789 HydrophobicContact CE3-CB 4.27Å; W785-D789 HydrophobicContact CH2-CB 3.53Å; W785-D789 VanDerWaalsContact CH2-CG 3.47Å; W785-D789 HydrophobicContact CZ2-CB 3.74Å; W785-D789 HydrophobicContact CZ3-CB 3.85Å; W785-D789 PolarHBondContact O-N 3.24Å; K786-D789 HydrophobicContact CD-CB 4.44Å; K786-D789 IonicContact NZ-OD2 3.5Å; K786-D789 PolarHBondContact NZ-OD2 3.29Å; K786-D789 WeakPolarHBondContact O-CB 3.5Å; K786-D789 PolarHBondContact O-N 3.39Å; D789-M791 VanDerWaalsContact C-N 3.34Å; D789-M791 PolarHBondContact O-N 2.95Å; D789-L792 PolarHBondContact O-N 2.71Å; D789-A793 WeakPolarHBondContact O-CA 3.35Å; D789-A793 PolarHBondContact O-N 2.93Å; D789-F797 HydrophobicContact CB-CD1 4.4Å; D789-F797 HydrophobicContact CB-CE1 4.47Å; D789-R823 IonicContact OD1-NE 3.99Å; D789-R823 IonicContact OD1-NH2 2.66Å; D789-R823 IonicContact OD2-NE 3.37Å
790E94Very high94.8Very high135 Ų13541.9 Ų41.963%0.63122%0.221SC*.Hα-helixtrans-62.7-38.3176.4-73.2170.7-177.300112.8K786 W788K786-E790 WeakPolarHBondContact O-CB 3.44Å; K786-E790 VanDerWaalsContact O-CG 3.32Å; K786-E790 WeakPolarHBondContact O-CG 3.4Å; K786-E790 PolarHBondContact O-N 3.12Å; W788-E790 VanDerWaalsContact C-N 3.35Å; W788-E790 PolarHBondContact O-N 2.79Å
791M93.3Very high95Very high108 Ų10841.2 Ų41.253%0.53222%0.217SC..Hα-helixtrans-72-41.9179.8-176.6-175.26700112.6A752 K787 W788 D789A752-M791 HydrophobicContact CB-CE 4.06Å; K787-M791 WeakPolarHBondContact O-CB 3.48Å; K787-M791 PolarHBondContact O-N 3.41Å; W788-M791 HydrophobicContact CD2-CE 4.26Å; W788-M791 HydrophobicContact CE3-CE 3.33Å; W788-M791 HydrophobicContact CZ3-CE 3.59Å; W788-M791 PolarHBondContact O-N 2.79Å; D789-M791 VanDerWaalsContact C-N 3.34Å; D789-M791 PolarHBondContact O-N 2.95Å
792L93.7Very high95Very high32 Ų3240.9 Ų40.917%0.16821%0.214CC..Hα-helixtrans-84-29-177.6-66.3173.1000112.5L755 A756 V759 W788 D789 S794 F797L755-L792 HydrophobicContact CD2-CD1 3.79Å; L755-L792 HydrophobicContact CG-CD1 3.88Å; A756-L792 HydrophobicContact CB-CD2 3.73Å; V759-L792 HydrophobicContact CG2-CD1 4.24Å; W788-L792 WeakPolarHBondContact O-CB 3.43Å; W788-L792 WeakPolarHBondContact O-CG 3.47Å; W788-L792 PolarHBondContact O-N 3.05Å; D789-L792 PolarHBondContact O-N 2.71Å; L792-S794 VanDerWaalsContact C-N 3.25Å; L792-S794 PolarHBondContact O-N 2.88Å; L792-S794 VanDerWaalsContact O-N 3.14Å; L792-F797 HydrophobicContact CD1-CD1 3.92Å; L792-F797 HydrophobicContact CD1-CD2 3.87Å; L792-F797 HydrophobicContact CD1-CE1 3.85Å; L792-F797 HydrophobicContact CD1-CE2 3.8Å; L792-F797 HydrophobicContact CD1-CG 3.91Å; L792-F797 HydrophobicContact CD1-CZ 3.78Å
793A92.6Very high94.9Very high82 Ų8240.9 Ų40.968%0.67821%0.214SC*.  trans48.241174.900000114.4D789D789-A793 WeakPolarHBondContact O-CA 3.35Å; D789-A793 PolarHBondContact O-N 2.93Å
794S94.4Very high94.7Very high16 Ų1638.6 Ų38.611%0.11220%0.199CC..  trans-117.7134-176.3179.30000111.8V759 L792 W796 F797V759-S794 VanDerWaalsContact CG1-CB 3.43Å; V759-S794 VanDerWaalsContact CG1-OG 3.28Å; V759-S794 WeakPolarHBondContact CG1-OG 3.25Å; L792-S794 VanDerWaalsContact C-N 3.25Å; L792-S794 PolarHBondContact O-N 2.88Å; L792-S794 VanDerWaalsContact O-N 3.14Å; S794-W796 PolarHBondContact O-N 2.85Å; S794-W796 PolarHBondContact OG-N 2.69Å; S794-F797 PolarHBondContact O-N 2.79Å
795P93.7Very high94.7Very high82 Ų8235.4 Ų35.453%0.53219%0.185SC..THydrogen-bonded Turntrans-68.5-15.7173.630.3-35.3000113.5F797P795-F797 VanDerWaalsContact C-N 3.27Å
796W96Very high94.7Very high74 Ų7435.4 Ų35.428%0.2819%0.185SC..THydrogen-bonded Turntrans-85.3-1.6176.2-57.797.8000112.8A763 Q766 M768 L769 S794A763-W796 HydrophobicContact CB-CB 4.17Å; A763-W796 HydrophobicContact CB-CD2 4.28Å; A763-W796 HydrophobicContact CB-CG 3.65Å; Q766-W796 HydrophobicContact CB-CH2 3.5Å; Q766-W796 VanDerWaalsContact CB-CH2 3.5Å; Q766-W796 HydrophobicContact CB-CZ2 4.25Å; Q766-W796 HydrophobicContact CB-CZ3 3.92Å; Q766-W796 HydrophobicContact CG-CH2 3.8Å; Q766-W796 HydrophobicContact CG-CZ2 4.1Å; Q766-W796 VanDerWaalsContact O-CZ3 3.32Å; Q766-W796 WeakPolarHBondContact O-CZ3 3.3Å; M768-W796 HydrophobicContact CG-CE3 3.97Å; M768-W796 HydrophobicContact CG-CZ3 4.37Å; L769-W796 PolarHBondContact N-O 2.92Å; S794-W796 PolarHBondContact O-N 2.85Å; S794-W796 PolarHBondContact OG-N 2.69Å
797F97Very high94.6Very high0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-107.2115.7174.5-173.9-107.1000109.2L755 V759 L769 V771 W785 W788 D789 L792 S794 P795L755-F797 HydrophobicContact CD1-CE2 4.02Å; L755-F797 HydrophobicContact CD2-CE2 3.8Å; L755-F797 HydrophobicContact CD2-CZ 3.96Å; L755-F797 HydrophobicContact CG-CE2 4.09Å; V759-F797 HydrophobicContact CG1-CB 4.38Å; V759-F797 HydrophobicContact CG2-CB 4.02Å; V759-F797 HydrophobicContact CG2-CD2 3.64Å; V759-F797 HydrophobicContact CG2-CG 4.16Å; L769-F797 WeakPolarHBondContact O-CA 3.36Å; V771-F797 HydrophobicContact CB-CZ 4.45Å; V771-F797 HydrophobicContact CG2-CD2 4.41Å; V771-F797 HydrophobicContact CG2-CE2 3.33Å; V771-F797 HydrophobicContact CG2-CZ 3.49Å; V771-F797 VanDerWaalsContact CG2-CZ 3.49Å; W785-F797 AromaticContact CD1-CE1 3.93Å; W785-F797 AromaticContact CD1-CZ 3.98Å; W785-F797 AromaticContact CE2-CE1 3.76Å; W785-F797 HydrophobicContact CZ2-CD1 4.02Å; W785-F797 HydrophobicContact CZ2-CE1 4.06Å; W785-F797 AromaticContact NE1-CD1 3.94Å; W785-F797 AromaticContact NE1-CE1 3.21Å; W785-F797 AromaticContact NE1-CZ 3.5Å; W788-F797 HydrophobicContact CB-CE1 4.05Å; W788-F797 HydrophobicContact CB-CZ 4.2Å; D789-F797 HydrophobicContact CB-CD1 4.4Å; D789-F797 HydrophobicContact CB-CE1 4.47Å; L792-F797 HydrophobicContact CD1-CD1 3.92Å; L792-F797 HydrophobicContact CD1-CD2 3.87Å; L792-F797 HydrophobicContact CD1-CE1 3.85Å; L792-F797 HydrophobicContact CD1-CE2 3.8Å; L792-F797 HydrophobicContact CD1-CG 3.91Å; L792-F797 HydrophobicContact CD1-CZ 3.78Å; S794-F797 PolarHBondContact O-N 2.79Å; P795-F797 VanDerWaalsContact C-N 3.27Å
798T97Very high94.6Very high8 Ų827.6 Ų27.65%0.04915%0.153CC..EExtended strand (participates in β ladder)trans-129.2177.3-172.351.40000110.5M768 L769 A770 V771 W785 R823M768-T798 HydrophobicContact SD-CG2 4.29Å; L769-T798 PolarHBondContact O-N 3.49Å; L769-T798 PolarHBondContact O-OG1 3.36Å; A770-T798 CarbonylContact C-O 3.48Å; A770-T798 WeakPolarHBondContact CA-O 3.15Å; A770-T798 WeakPolarHBondContact CA-OG1 3.33Å; A770-T798 VanDerWaalsContact CB-OG1 3.27Å; A770-T798 WeakPolarHBondContact CB-OG1 3.39Å; V771-T798 PolarHBondContact N-O 2.9Å; W785-T798 PolarHBondContact NE1-O 2.86Å; W785-T798 VanDerWaalsContact NE1-O 3.1Å; T798-R823 WeakPolarHBondContact CB-O 3.4Å
799V96.8Very high94.4Very high0 Ų030.5 Ų30.50%016%0.164CC..EExtended strand (participates in β ladder)trans-115142.4175.864.80000110.2I773 I782 W785 P801 R823 I824 A825I773-V799 HydrophobicContact CD1-CG2 3.89Å; I773-V799 HydrophobicContact CG1-CG2 4.06Å; I782-V799 HydrophobicContact CG1-CG2 4.24Å; W785-V799 HydrophobicContact CB-CG2 4.45Å; W785-V799 HydrophobicContact CD2-CB 3.64Å; W785-V799 HydrophobicContact CD2-CG1 4.43Å; W785-V799 HydrophobicContact CD2-CG2 3.96Å; W785-V799 HydrophobicContact CE3-CB 3.92Å; W785-V799 HydrophobicContact CE3-CG1 4.22Å; W785-V799 HydrophobicContact CE3-CG2 4.35Å; W785-V799 HydrophobicContact CG-CB 4.12Å; W785-V799 HydrophobicContact CG-CG2 3.97Å; W785-V799 HydrophobicContact CH2-CB 4.26Å; W785-V799 HydrophobicContact CH2-CG1 4.35Å; W785-V799 HydrophobicContact CZ2-CB 3.96Å; W785-V799 HydrophobicContact CZ3-CB 4.22Å; W785-V799 HydrophobicContact CZ3-CG1 4.18Å; V799-P801 WeakPolarHBondContact O-CD 3.25Å; V799-R823 HydrophobicContact CG1-CB 4.4Å; V799-R823 PolarHBondContact N-O 3.21Å; V799-I824 HydrophobicContact CG1-CG1 3.91Å; V799-I824 WeakPolarHBondContact O-CA 3.41Å; V799-A825 PolarHBondContact O-N 2.82Å
800Y96.4Very high94.2Very high1 Ų133.4 Ų33.40%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-119.177.7174.5-153.7-40.3000108.3E654 Q732 A770 V771 E772 I773 D802 A826 H828E654-Y800 WeakPolarHBondContact OE2-CE2 3.35Å; E654-Y800 PolarHBondContact OE2-OH 2.93Å; Q732-Y800 HydrophobicContact CB-CD2 3.74Å; Q732-Y800 HydrophobicContact CB-CE2 4.09Å; Q732-Y800 HydrophobicContact CG-CD2 3.73Å; Q732-Y800 HydrophobicContact CG-CE2 4.32Å; Q732-Y800 HydrophobicContact CG-CG 4.1Å; Q732-Y800 VanDerWaalsContact NE2-CD2 3.26Å; Q732-Y800 VanDerWaalsContact NE2-CG 3.3Å; A770-Y800 HydrophobicContact CB-CD2 4.1Å; A770-Y800 HydrophobicContact CB-CG 4.44Å; V771-Y800 PolarHBondContact O-N 3.4Å; E772-Y800 VanDerWaalsContact CA-O 3.31Å; E772-Y800 WeakPolarHBondContact CA-O 3.25Å; I773-Y800 PolarHBondContact N-O 3.09Å; Y800-D802 PolarHBondContact O-N 2.88Å; Y800-A826 HydrophobicContact CD1-CB 4.02Å; Y800-A826 WeakPolarHBondContact CD1-O 3.3Å; Y800-A826 HydrophobicContact CD2-CB 4.26Å; Y800-A826 VanDerWaalsContact CE1-C 3.43Å; Y800-A826 HydrophobicContact CE1-CB 3.39Å; Y800-A826 HydrophobicContact CE2-CB 3.75Å; Y800-A826 HydrophobicContact CG-CB 4.41Å; Y800-H828 AromaticContact CD1-CD2 3.9Å; Y800-H828 AromaticContact CE1-CD2 3.13Å; Y800-H828 WeakPolarHBondContact CE1-CD2 3.4Å; Y800-H828 AromaticContact CE1-CG 3.93Å; Y800-H828 AromaticContact CE1-NE2 3.63Å; Y800-H828 AromaticContact CZ-CD2 3.51Å; Y800-H828 AromaticContact CZ-NE2 3.55Å; Y800-H828 PolarHBondContact OH-CD2 3.33Å; Y800-H828 PolarHBondContact OH-NE2 3.44Å
801P95.5Very high94.1Very high0 Ų028.9 Ų28.90%018%0.176CC..  trans-64.9135.4-174.926.4-35.5000112.2I773 I782 V799 L806 L817 I824 A826 I827 H828I773-P801 HydrophobicContact CG1-CB 4.33Å; I782-P801 HydrophobicContact CD1-CB 3.98Å; I782-P801 HydrophobicContact CD1-CG 4.43Å; I782-P801 HydrophobicContact CG1-CB 4.41Å; V799-P801 WeakPolarHBondContact O-CD 3.25Å; P801-L806 HydrophobicContact CB-CD1 4.04Å; P801-L817 HydrophobicContact CB-CD2 4.44Å; P801-L817 HydrophobicContact CG-CD2 4.28Å; P801-I824 HydrophobicContact CG-CD1 3.97Å; P801-I824 HydrophobicContact CG-CG1 3.91Å; P801-I824 HydrophobicContact CG-CG2 4.06Å; P801-A826 VanDerWaalsContact CD-O 3.32Å; P801-A826 WeakPolarHBondContact CD-O 3.41Å; P801-I827 HydrophobicContact CG-CG1 4.1Å; P801-I827 WeakPolarHBondContact O-CA 3.48Å; P801-H828 PolarHBondContact O-N 2.98Å
802D94.6Very high94.2Very high0 Ų028.8 Ų28.80%018%0.177CC..BIsolated β-bridgetrans-100.4114.1165.8-175.7-53.5000107.9Y800 G804 N805 L806 H828 K830Y800-D802 PolarHBondContact O-N 2.88Å; D802-G804 VanDerWaalsContact C-N 3.26Å; D802-G804 PolarHBondContact O-N 3.26Å; D802-G804 VanDerWaalsContact OD1-CA 3.24Å; D802-G804 WeakPolarHBondContact OD1-CA 3.45Å; D802-G804 PolarHBondContact OD1-N 3.43Å; D802-N805 HydrophobicContact CB-CB 4.01Å; D802-N805 PolarHBondContact O-N 2.86Å; D802-N805 PolarHBondContact OD1-N 3.18Å; D802-L806 WeakPolarHBondContact O-CG 3.4Å; D802-L806 PolarHBondContact O-N 2.91Å; D802-H828 HydrophobicContact CB-CB 3.96Å; D802-H828 IonicContact OD2-ND1 3.84Å; D802-K830 WeakPolarHBondContact OD2-CE 3.43Å; D802-K830 IonicContact OD2-NZ 3.31Å; D802-K830 PolarHBondContact OD2-NZ 3.17Å
803V94.5Very high94.3Very high0 Ų027.8 Ų27.80%017%0.173CC..Hα-helixtrans-71-27.4-175.8-60.70000111.9S807 I827 H828 L829 V853 F855 I858V803-S807 WeakPolarHBondContact O-CB 3.49Å; V803-S807 PolarHBondContact O-N 3.25Å; V803-S807 PolarHBondContact O-OG 2.96Å; V803-I827 HydrophobicContact CG1-CG2 3.66Å; V803-H828 PolarHBondContact N-O 3.38Å; V803-L829 HydrophobicContact CG2-CD2 3.86Å; V803-V853 HydrophobicContact CG2-CG1 4.08Å; V803-F855 HydrophobicContact CG2-CE1 4.22Å; V803-I858 HydrophobicContact CB-CD1 3.88Å; V803-I858 HydrophobicContact CG1-CD1 4.38Å; V803-I858 HydrophobicContact CG1-CG2 4.12Å; V803-I858 HydrophobicContact CG2-CD1 4.23Å
804G92.6Very high94.3Very high0 Ų026.5 Ų26.50%016%0.158CC..Hα-helixtrans-61.1-57.8171.900000110.7D802 L806 S807 A808 K830 T832D802-G804 VanDerWaalsContact C-N 3.26Å; D802-G804 PolarHBondContact O-N 3.26Å; D802-G804 VanDerWaalsContact OD1-CA 3.24Å; D802-G804 WeakPolarHBondContact OD1-CA 3.45Å; D802-G804 PolarHBondContact OD1-N 3.43Å; G804-L806 VanDerWaalsContact C-N 3.31Å; G804-L806 PolarHBondContact O-N 2.91Å; G804-S807 PolarHBondContact O-N 2.92Å; G804-A808 WeakPolarHBondContact O-CB 3.44Å; G804-A808 PolarHBondContact O-N 2.9Å; G804-K830 WeakPolarHBondContact CA-O 3.26Å; G804-T832 VanDerWaalsContact C-OG1 3.29Å; G804-T832 WeakPolarHBondContact CA-OG1 3.42Å; G804-T832 PolarHBondContact O-OG1 3.05Å
805N93.6Very high94.4Very high2 Ų228 Ų281%0.01117%0.171CC..Hα-helixtrans-57.8-43.8178.5-62.1-18.5000111.4I773 D802 S807 A808 W809 K830 F843I773-N805 WeakPolarHBondContact O-CB 3.37Å; I773-N805 PolarHBondContact O-ND2 2.89Å; D802-N805 HydrophobicContact CB-CB 4.01Å; D802-N805 PolarHBondContact O-N 2.86Å; D802-N805 PolarHBondContact OD1-N 3.18Å; N805-S807 VanDerWaalsContact C-N 3.3Å; N805-S807 PolarHBondContact O-N 3.39Å; N805-A808 PolarHBondContact O-N 2.85Å; N805-W809 PolarHBondContact O-N 2.73Å; N805-K830 VanDerWaalsContact OD1-CE 3.31Å; N805-K830 WeakPolarHBondContact OD1-CE 3.35Å; N805-F843 VanDerWaalsContact OD1-CD1 3.25Å; N805-F843 WeakPolarHBondContact OD1-CD1 3.37Å
806L94.7Very high94.6Very high0 Ų025 Ų250%015%0.15CC..Hα-helixtrans-56.5-44.4175.5-78.5170.1000112.3I773 I782 P801 D802 G804 N811 V813 E816I773-L806 HydrophobicContact CG2-CD2 3.89Å; I773-L806 HydrophobicContact CG2-CG 4.01Å; I782-L806 HydrophobicContact CD1-CD1 4.23Å; P801-L806 HydrophobicContact CB-CD1 4.04Å; D802-L806 WeakPolarHBondContact O-CG 3.4Å; D802-L806 PolarHBondContact O-N 2.91Å; G804-L806 VanDerWaalsContact C-N 3.31Å; G804-L806 PolarHBondContact O-N 2.91Å; L806-N811 HydrophobicContact CD2-CB 4.49Å; L806-N811 WeakPolarHBondContact O-CB 3.35Å; L806-N811 PolarHBondContact O-N 3.48Å; L806-N811 PolarHBondContact O-ND2 3.33Å; L806-V813 HydrophobicContact CB-CG1 4.28Å; L806-V813 HydrophobicContact CB-CG2 4.02Å; L806-V813 HydrophobicContact CD1-CG1 4.21Å; L806-E816 HydrophobicContact CD2-CB 4.13Å; L806-E816 HydrophobicContact CD2-CG 4.17Å
807S94.5Very high94.6Very high16 Ų1621.5 Ų21.511%0.11214%0.136CC..Hα-helixtrans-71.4-44.3-177.4-53.50000111.6V803 G804 N805 W809 G810V803-S807 WeakPolarHBondContact O-CB 3.49Å; V803-S807 PolarHBondContact O-N 3.25Å; V803-S807 PolarHBondContact O-OG 2.96Å; G804-S807 PolarHBondContact O-N 2.92Å; N805-S807 VanDerWaalsContact C-N 3.3Å; N805-S807 PolarHBondContact O-N 3.39Å; S807-W809 PolarHBondContact O-N 2.85Å; S807-G810 PolarHBondContact O-N 2.96Å
808A92.7Very high94.6Very high0 Ų028.4 Ų28.40%017%0.166CC..Hα-helixtrans-60.2-32.4-178.800000112.9G804 N805 G810 V835 F843G804-A808 WeakPolarHBondContact O-CB 3.44Å; G804-A808 PolarHBondContact O-N 2.9Å; N805-A808 PolarHBondContact O-N 2.85Å; A808-G810 PolarHBondContact O-N 2.94Å; A808-V835 PolarHBondContact O-N 3.44Å; A808-F843 HydrophobicContact CB-CD1 3.94Å; A808-F843 HydrophobicContact CB-CE1 3.37Å; A808-F843 HydrophobicContact CB-CZ 3.97Å
809W91.1Very high94.5Very high76 Ų7631.4 Ų31.429%0.28818%0.182SC..THydrogen-bonded Turntrans-80.43175.5-75.5109.6000114.4M774 D775 A777 N780 N805 S807 N811 V835 F843M774-W809 PolarHBondContact O-NE1 3.47Å; D775-W809 VanDerWaalsContact O-CZ2 3.29Å; D775-W809 WeakPolarHBondContact O-CZ2 3.5Å; A777-W809 HydrophobicContact CB-CH2 4.49Å; N780-W809 HydrophobicContact CB-CD2 4.04Å; N780-W809 HydrophobicContact CB-CG 3.77Å; N780-W809 VanDerWaalsContact ND2-CD2 3.25Å; N805-W809 PolarHBondContact O-N 2.73Å; S807-W809 PolarHBondContact O-N 2.85Å; W809-N811 VanDerWaalsContact C-N 3.29Å; W809-N811 PolarHBondContact O-N 3.27Å; W809-V835 HydrophobicContact CD2-CG2 4.12Å; W809-V835 HydrophobicContact CE3-CB 4.23Å; W809-V835 HydrophobicContact CE3-CG1 4.33Å; W809-V835 HydrophobicContact CE3-CG2 4.03Å; W809-V835 HydrophobicContact CH2-CG2 4.46Å; W809-V835 HydrophobicContact CZ3-CB 4.37Å; W809-V835 HydrophobicContact CZ3-CG1 3.99Å; W809-V835 HydrophobicContact CZ3-CG2 4.21Å; W809-F843 HydrophobicContact CZ2-CZ 4.41Å; W809-F843 AromaticContact NE1-CE1 3.85Å; W809-F843 AromaticContact NE1-CZ 3.8Å
810G89.1Confident94.4Very high69 Ų6931.4 Ų31.471%0.71118%0.182SC*.THydrogen-bonded Turntrans69.423.9-179.400000113.8S807 A808S807-G810 PolarHBondContact O-N 2.96Å; A808-G810 PolarHBondContact O-N 2.94Å
811N92.8Very high94.4Very high41 Ų4133.8 Ų33.822%0.21919%0.194CC..  trans-71.3153.2176.1-61-66.4000111N780 L806 W809 V813 E816N780-N811 PolarHBondContact O-ND2 3.29Å; L806-N811 HydrophobicContact CD2-CB 4.49Å; L806-N811 WeakPolarHBondContact O-CB 3.35Å; L806-N811 PolarHBondContact O-N 3.48Å; L806-N811 PolarHBondContact O-ND2 3.33Å; W809-N811 VanDerWaalsContact C-N 3.29Å; W809-N811 PolarHBondContact O-N 3.27Å; N811-V813 VanDerWaalsContact C-N 3.29Å; N811-V813 PolarHBondContact O-N 2.81Å; N811-E816 HydrophobicContact CB-CG 4.08Å
812D94.6Very high94.2Very high105 Ų10539.3 Ų39.356%0.56122%0.224SC*.  trans-72.486.9164.3-178-17.3000108.8P814 A815 E816D812-P814 VanDerWaalsContact OD1-CD 3.26Å; D812-P814 WeakPolarHBondContact OD1-CD 3.27Å; D812-A815 HydrophobicContact CB-CB 3.93Å; D812-A815 VanDerWaalsContact CG-CB 3.42Å; D812-A815 PolarHBondContact O-N 2.96Å; D812-A815 PolarHBondContact OD1-N 3.26Å; D812-A815 VanDerWaalsContact OD1-N 3.08Å; D812-E816 WeakPolarHBondContact O-CG 3.49Å; D812-E816 PolarHBondContact O-N 3.43Å
813V95.3Very high94.2Very high12 Ų1242.6 Ų42.67%0.07324%0.236CC..Hα-helixtrans-55.2-45.1-174.8-171.90000112.1L806 N811 A815 E816 L817 I858L806-V813 HydrophobicContact CB-CG1 4.28Å; L806-V813 HydrophobicContact CB-CG2 4.02Å; L806-V813 HydrophobicContact CD1-CG1 4.21Å; N811-V813 VanDerWaalsContact C-N 3.29Å; N811-V813 PolarHBondContact O-N 2.81Å; V813-A815 PolarHBondContact O-N 2.93Å; V813-E816 PolarHBondContact O-N 2.85Å; V813-L817 HydrophobicContact CG1-CD1 3.92Å; V813-L817 HydrophobicContact CG1-CG 4.17Å; V813-L817 WeakPolarHBondContact O-CB 3.3Å; V813-L817 VanDerWaalsContact O-CG 3.29Å; V813-L817 WeakPolarHBondContact O-CG 3.46Å; V813-L817 PolarHBondContact O-N 3.41Å; V813-I858 HydrophobicContact CG1-CD1 4.05Å; V813-I858 HydrophobicContact CG1-CG1 3.89Å
814P94.4Very high94.3Very high55 Ų5543.6 Ų43.636%0.35724%0.241SC..Hα-helixtrans-55.1-44.2172.3-29.436.6000114.8D812 K818 T861D812-P814 VanDerWaalsContact OD1-CD 3.26Å; D812-P814 WeakPolarHBondContact OD1-CD 3.27Å; P814-K818 WeakPolarHBondContact O-CB 3.43Å; P814-K818 PolarHBondContact O-N 3.04Å; P814-K818 VanDerWaalsContact O-N 3.07Å; P814-T861 HydrophobicContact CB-CG2 3.96Å
815A95.9Very high94.4Very high47 Ų4744.7 Ų44.739%0.38825%0.25SS..Hα-helixtrans-67.6-41.6178.500000112.2D812 V813 K818 L819D812-A815 HydrophobicContact CB-CB 3.93Å; D812-A815 VanDerWaalsContact CG-CB 3.42Å; D812-A815 PolarHBondContact O-N 2.96Å; D812-A815 PolarHBondContact OD1-N 3.26Å; D812-A815 VanDerWaalsContact OD1-N 3.08Å; V813-A815 PolarHBondContact O-N 2.93Å; A815-K818 PolarHBondContact O-N 3.38Å; A815-L819 PolarHBondContact O-N 2.87Å
816E97.1Very high94.5Very high19 Ų1944.8 Ų44.89%0.08925%0.251CS..Hα-helixtrans-62.5-47.5176.9-69.9-69.813800111.3S781 I782 S783 L806 N811 D812 V813 K818 L819 G820S781-E816 WeakPolarHBondContact CB-OE2 3.32Å; I782-E816 VanDerWaalsContact CA-OE2 3.25Å; I782-E816 WeakPolarHBondContact CA-OE2 3.29Å; I782-E816 HydrophobicContact CB-CB 4.35Å; I782-E816 VanDerWaalsContact CB-OE2 3.26Å; I782-E816 WeakPolarHBondContact CB-OE2 2.75Å; I782-E816 HydrophobicContact CD1-CB 4.16Å; I782-E816 WeakPolarHBondContact CD1-O 3.37Å; I782-E816 HydrophobicContact CG1-CB 4.46Å; I782-E816 PolarHBondContact N-OE2 2.99Å; S783-E816 WeakPolarHBondContact CB-OE1 3.27Å; S783-E816 PolarHBondContact N-OE2 3.24Å; S783-E816 PolarHBondContact OG-OE1 3.08Å; S783-E816 PolarHBondContact OG-OE2 3.21Å; L806-E816 HydrophobicContact CD2-CB 4.13Å; L806-E816 HydrophobicContact CD2-CG 4.17Å; N811-E816 HydrophobicContact CB-CG 4.08Å; D812-E816 WeakPolarHBondContact O-CG 3.49Å; D812-E816 PolarHBondContact O-N 3.43Å; V813-E816 PolarHBondContact O-N 2.85Å; E816-K818 VanDerWaalsContact C-N 3.3Å; E816-K818 PolarHBondContact O-N 3.01Å; E816-L819 WeakPolarHBondContact O-CB 3.33Å; E816-L819 PolarHBondContact O-N 3.19Å; E816-L819 VanDerWaalsContact O-N 3.08Å; E816-G820 PolarHBondContact O-N 3.06Å; E816-G820 VanDerWaalsContact O-N 3.15Å
817L96.9Very high94.5Very high0 Ų044.8 Ų44.80%025%0.251CS..Hα-helixtrans-60.8-40.3176.8-71.4173.3000111.7I782 P801 V813 L819 G820 I821 I824 I858 L862 L865I782-L817 HydrophobicContact CD1-CD2 4.39Å; P801-L817 HydrophobicContact CB-CD2 4.44Å; P801-L817 HydrophobicContact CG-CD2 4.28Å; V813-L817 HydrophobicContact CG1-CD1 3.92Å; V813-L817 HydrophobicContact CG1-CG 4.17Å; V813-L817 WeakPolarHBondContact O-CB 3.3Å; V813-L817 VanDerWaalsContact O-CG 3.29Å; V813-L817 WeakPolarHBondContact O-CG 3.46Å; V813-L817 PolarHBondContact O-N 3.41Å; L817-L819 VanDerWaalsContact C-N 3.3Å; L817-L819 PolarHBondContact O-N 3.4Å; L817-G820 PolarHBondContact O-N 3.35Å; L817-I821 WeakPolarHBondContact O-CB 3.47Å; L817-I821 PolarHBondContact O-N 2.93Å; L817-I824 HydrophobicContact CD2-CD1 4.01Å; L817-I858 HydrophobicContact CD1-CG2 4.04Å; L817-L862 HydrophobicContact CD1-CD2 3.99Å; L817-L862 HydrophobicContact CD1-CG 4.12Å; L817-L862 HydrophobicContact CD2-CD2 4.27Å; L817-L865 HydrophobicContact CB-CD1 4.32Å
818K96.2Very high94.5Very high145 Ų14544.1 Ų44.163%0.6325%0.246SC*.Hα-helixtrans-63.7-35.4175.1-175.8177.8-179.3-1770112.2P814 A815 E816 I821 L865P814-K818 WeakPolarHBondContact O-CB 3.43Å; P814-K818 PolarHBondContact O-N 3.04Å; P814-K818 VanDerWaalsContact O-N 3.07Å; A815-K818 PolarHBondContact O-N 3.38Å; E816-K818 VanDerWaalsContact C-N 3.3Å; E816-K818 PolarHBondContact O-N 3.01Å; K818-I821 WeakPolarHBondContact O-CG2 3.31Å; K818-L865 HydrophobicContact CB-CD1 4.2Å; K818-L865 HydrophobicContact CB-CD2 4.24Å; K818-L865 HydrophobicContact CG-CD2 4.02Å
819L95.6Very high94.4Very high72 Ų7244.7 Ų44.738%0.37725%0.25SC..Hα-helixtrans-68.3-35.3178.7-17666.3000112.5I782 S783 K786 A815 E816 L817I782-L819 HydrophobicContact CG2-CB 4.42Å; I782-L819 HydrophobicContact CG2-CD2 4.46Å; I782-L819 HydrophobicContact CG2-CG 4.47Å; S783-L819 VanDerWaalsContact OG-CD2 3.28Å; S783-L819 WeakPolarHBondContact OG-CD2 3.05Å; K786-L819 HydrophobicContact CB-CD2 4.47Å; A815-L819 PolarHBondContact O-N 2.87Å; E816-L819 WeakPolarHBondContact O-CB 3.33Å; E816-L819 PolarHBondContact O-N 3.19Å; E816-L819 VanDerWaalsContact O-N 3.08Å; L817-L819 VanDerWaalsContact C-N 3.3Å; L817-L819 PolarHBondContact O-N 3.4Å
820G94.2Very high94.3Very high0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-98.4-6-176.500000115.8E816 L817 D822 R823 I824E816-G820 PolarHBondContact O-N 3.06Å; E816-G820 VanDerWaalsContact O-N 3.15Å; L817-G820 PolarHBondContact O-N 3.35Å; G820-D822 PolarHBondContact O-N 3.41Å; G820-R823 CarbonylContact O-C 3.5Å; G820-R823 WeakPolarHBondContact O-CA 3.16Å; G820-R823 PolarHBondContact O-N 2.95Å; G820-I824 WeakPolarHBondContact O-CG1 3.18Å; G820-I824 PolarHBondContact O-N 3.43Å; G820-I824 VanDerWaalsContact O-N 3.11Å
821I95.5Very high94.3Very high51 Ų5138.6 Ų38.626%0.26221%0.206SC..THydrogen-bonded Turntrans-51.3-35-164.5-17163000115.2L817 K818 R823 I824 L865 Y867L817-I821 WeakPolarHBondContact O-CB 3.47Å; L817-I821 PolarHBondContact O-N 2.93Å; K818-I821 WeakPolarHBondContact O-CG2 3.31Å; I821-R823 PolarHBondContact O-N 3.2Å; I821-I824 HydrophobicContact CD1-CD1 4.36Å; I821-L865 HydrophobicContact CD1-CB 3.91Å; I821-L865 HydrophobicContact CD1-CD1 4.29Å; I821-L865 HydrophobicContact CG1-CB 4.07Å; I821-Y867 HydrophobicContact CD1-CD2 4.19Å
822D92.4Very high94.2Very high116 Ų11636.7 Ų36.762%0.6220%0.195SC*.THydrogen-bonded Turntrans-77.5-6.1179.964.7-27.2000113.8G820G820-D822 PolarHBondContact O-N 3.41Å
823R94.9Very high94.1Very high69 Ų6934.9 Ų34.926%0.2618%0.183SC..THydrogen-bonded Turntrans-129.51.7-175.3-66.6-70.2-157.7-151.20.7113.7W785 D789 T798 V799 G820 I821 A825W785-R823 HydrophobicContact CH2-CB 3.42Å; W785-R823 VanDerWaalsContact CH2-CB 3.42Å; W785-R823 HydrophobicContact CH2-CG 3.71Å; W785-R823 HydrophobicContact CZ2-CB 4.3Å; W785-R823 HydrophobicContact CZ3-CB 4Å; W785-R823 HydrophobicContact CZ3-CG 4.34Å; D789-R823 IonicContact OD1-NE 3.99Å; D789-R823 IonicContact OD1-NH2 2.66Å; D789-R823 IonicContact OD2-NE 3.37Å; T798-R823 WeakPolarHBondContact CB-O 3.4Å; V799-R823 HydrophobicContact CG1-CB 4.4Å; V799-R823 PolarHBondContact N-O 3.21Å; G820-R823 CarbonylContact O-C 3.5Å; G820-R823 WeakPolarHBondContact O-CA 3.16Å; G820-R823 PolarHBondContact O-N 2.95Å; I821-R823 PolarHBondContact O-N 3.2Å; R823-A825 PolarHBondContact O-N 3.44Å
824I96.4Very high93.9Very high20 Ų2036.5 Ų36.510%0.10319%0.194CC..BIsolated β-bridgetrans-71.3117.3176.1-68.9173.7000109.3V799 P801 L817 G820 I821 I827 Y867V799-I824 HydrophobicContact CG1-CG1 3.91Å; V799-I824 WeakPolarHBondContact O-CA 3.41Å; P801-I824 HydrophobicContact CG-CD1 3.97Å; P801-I824 HydrophobicContact CG-CG1 3.91Å; P801-I824 HydrophobicContact CG-CG2 4.06Å; L817-I824 HydrophobicContact CD2-CD1 4.01Å; G820-I824 WeakPolarHBondContact O-CG1 3.18Å; G820-I824 PolarHBondContact O-N 3.43Å; G820-I824 VanDerWaalsContact O-N 3.11Å; I821-I824 HydrophobicContact CD1-CD1 4.36Å; I824-I827 HydrophobicContact CG2-CD1 4.2Å; I824-I827 HydrophobicContact CG2-CG1 3.65Å; I824-Y867 HydrophobicContact CB-CE2 4.3Å; I824-Y867 HydrophobicContact CG2-CD2 4.41Å; I824-Y867 HydrophobicContact CG2-CE2 3.6Å
825A94.9Very high93.7Very high24 Ų2436 Ų3620%0.19819%0.19CC..  trans-81.4-40.6175.900000112.4T730 A770 V799 R823T730-A825 HydrophobicContact CG2-CB 4.03Å; A770-A825 HydrophobicContact CB-CB 3.87Å; V799-A825 PolarHBondContact O-N 2.82Å; R823-A825 PolarHBondContact O-N 3.44Å
826A95.2Very high93.3Very high3 Ų337.3 Ų37.33%0.02519%0.194CC..  trans-164.1167.5178.600000108.5Y800 P801 Y867 S870Y800-A826 HydrophobicContact CD1-CB 4.02Å; Y800-A826 WeakPolarHBondContact CD1-O 3.3Å; Y800-A826 HydrophobicContact CD2-CB 4.26Å; Y800-A826 VanDerWaalsContact CE1-C 3.43Å; Y800-A826 HydrophobicContact CE1-CB 3.39Å; Y800-A826 HydrophobicContact CE2-CB 3.75Å; Y800-A826 HydrophobicContact CG-CB 4.41Å; P801-A826 VanDerWaalsContact CD-O 3.32Å; P801-A826 WeakPolarHBondContact CD-O 3.41Å; A826-Y867 WeakPolarHBondContact CA-OH 3.39Å; A826-S870 WeakPolarHBondContact CB-OG 3.39Å
827I95.3Very high92.7Very high0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-124.2124.2-179.5-58-179.4000109.5P801 V803 I824 L829 L862 Y867 S870 F871 L872P801-I827 HydrophobicContact CG-CG1 4.1Å; P801-I827 WeakPolarHBondContact O-CA 3.48Å; V803-I827 HydrophobicContact CG1-CG2 3.66Å; I824-I827 HydrophobicContact CG2-CD1 4.2Å; I824-I827 HydrophobicContact CG2-CG1 3.65Å; I827-L829 HydrophobicContact CG2-CD2 4.16Å; I827-L862 HydrophobicContact CD1-CD1 3.55Å; I827-L862 HydrophobicContact CD1-CD2 3.57Å; I827-L862 HydrophobicContact CD1-CG 4.23Å; I827-Y867 HydrophobicContact CD1-CD1 3.98Å; I827-Y867 HydrophobicContact CD1-CD2 4.46Å; I827-Y867 HydrophobicContact CD1-CE1 3.62Å; I827-Y867 HydrophobicContact CD1-CE2 4.15Å; I827-Y867 HydrophobicContact CD1-CG 4.37Å; I827-Y867 HydrophobicContact CG1-CE1 4.07Å; I827-Y867 HydrophobicContact CG1-CE2 4.37Å; I827-S870 PolarHBondContact N-O 3.48Å; I827-S870 VanDerWaalsContact N-O 3.13Å; I827-F871 HydrophobicContact CB-CD1 4.11Å; I827-F871 HydrophobicContact CB-CE1 4.41Å; I827-F871 HydrophobicContact CD1-CE1 4.13Å; I827-F871 HydrophobicContact CG2-CD1 4.43Å; I827-F871 WeakPolarHBondContact O-CA 3.39Å; I827-L872 PolarHBondContact O-N 2.88Å
828H93.5Very high92.1Very high2 Ų255.4 Ų55.41%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-78.3129.6168.8-86.7-170.3000109.5E654 Q732 E772 Y800 P801 D802 V803 L872 E874E654-H828 IonicContact OE1-CE1 3.48Å; E654-H828 IonicContact OE1-NE2 3.48Å; E654-H828 PolarHBondContact OE1-NE2 2.95Å; E654-H828 IonicContact OE2-NE2 3.55Å; Q732-H828 PolarHBondContact NE2-CE1 2.92Å; Q732-H828 PolarHBondContact NE2-NE2 3.05Å; E772-H828 IonicContact OE1-CE1 2.86Å; E772-H828 IonicContact OE1-ND1 3.78Å; E772-H828 PolarHBondContact OE1-ND1 3.42Å; Y800-H828 AromaticContact CD1-CD2 3.9Å; Y800-H828 AromaticContact CE1-CD2 3.13Å; Y800-H828 WeakPolarHBondContact CE1-CD2 3.4Å; Y800-H828 AromaticContact CE1-CG 3.93Å; Y800-H828 AromaticContact CE1-NE2 3.63Å; Y800-H828 AromaticContact CZ-CD2 3.51Å; Y800-H828 AromaticContact CZ-NE2 3.55Å; Y800-H828 PolarHBondContact OH-CD2 3.33Å; Y800-H828 PolarHBondContact OH-NE2 3.44Å; P801-H828 PolarHBondContact O-N 2.98Å; D802-H828 HydrophobicContact CB-CB 3.96Å; D802-H828 IonicContact OD2-ND1 3.84Å; V803-H828 PolarHBondContact N-O 3.38Å; H828-L872 CarbonylContact C-O 3.59Å; H828-L872 WeakPolarHBondContact CA-O 3.35Å; H828-L872 VanDerWaalsContact CD2-CD2 3.48Å; H828-L872 WeakPolarHBondContact CD2-CD2 3.46Å; H828-L872 WeakPolarHBondContact NE2-CD2 3.04Å; H828-E874 IonicContact ND1-OE2 2.78Å
829L91.3Very high91.7Very high13 Ų1350.7 Ų50.77%0.06826%0.263CS..EExtended strand (participates in β ladder)trans-109.2115.3173-58.9179.5000108.3V803 I827 F848 F859 F871 L872 I873 E874V803-L829 HydrophobicContact CG2-CD2 3.86Å; I827-L829 HydrophobicContact CG2-CD2 4.16Å; L829-F848 HydrophobicContact CB-CE1 4.35Å; L829-F848 HydrophobicContact CB-CZ 4.34Å; L829-F848 WeakPolarHBondContact O-CZ 3.34Å; L829-F859 HydrophobicContact CD1-CE1 4.16Å; L829-F859 HydrophobicContact CD1-CZ 3.8Å; L829-F859 HydrophobicContact CD2-CE1 4.23Å; L829-F859 HydrophobicContact CD2-CZ 4.15Å; L829-F871 HydrophobicContact CD1-CB 3.82Å; L829-F871 HydrophobicContact CD1-CD1 3.96Å; L829-F871 HydrophobicContact CD1-CG 4.19Å; L829-F871 HydrophobicContact CD2-CD1 4.11Å; L829-F871 HydrophobicContact CG-CB 4.35Å; L829-F871 HydrophobicContact CG-CD1 4.16Å; L829-L872 PolarHBondContact N-O 3.48Å; L829-I873 HydrophobicContact CD1-CG1 4.44Å; L829-E874 PolarHBondContact O-N 3.46Å
830K88Confident91.1Very high14 Ų1452.6 Ų52.66%0.06128%0.28CS..  trans-151.3155.616566.5173.7173.9-122.10108.9D802 G804 N805 T832 F843 E874D802-K830 WeakPolarHBondContact OD2-CE 3.43Å; D802-K830 IonicContact OD2-NZ 3.31Å; D802-K830 PolarHBondContact OD2-NZ 3.17Å; G804-K830 WeakPolarHBondContact CA-O 3.26Å; N805-K830 VanDerWaalsContact OD1-CE 3.31Å; N805-K830 WeakPolarHBondContact OD1-CE 3.35Å; K830-T832 HydrophobicContact CD-CG2 4.3Å; K830-T832 HydrophobicContact CG-CG2 4.19Å; K830-F843 WeakPolarHBondContact CD-O 3.3Å; K830-F843 VanDerWaalsContact CE-O 3.22Å; K830-F843 WeakPolarHBondContact CE-O 3.46Å; K830-E874 HydrophobicContact CB-CB 4.4Å; K830-E874 WeakPolarHBondContact CD-OE2 3.01Å; K830-E874 IonicContact NZ-OE2 3.69Å; K830-E874 PolarHBondContact NZ-OE2 3.24Å
831D90.3Very high90.8Very high3 Ų353.3 Ų53.32%0.01629%0.287CS..  trans-89.9157.5171-148.4-14.9000110.7V846 G849 E850 G851 C852 V853 F855D831-V846 HydrophobicContact CB-CG1 4.08Å; D831-G849 WeakPolarHBondContact OD2-CA 3.14Å; D831-G849 PolarHBondContact OD2-N 3.06Å; D831-E850 PolarHBondContact OD2-N 3.35Å; D831-G851 VanDerWaalsContact CG-N 3.31Å; D831-G851 VanDerWaalsContact OD1-C 3.26Å; D831-G851 WeakPolarHBondContact OD1-CA 3.4Å; D831-G851 WeakPolarHBondContact OD2-CA 3.22Å; D831-G851 PolarHBondContact OD2-N 3.18Å; D831-C852 PolarHBondContact OD1-N 3.17Å; D831-V853 WeakPolarHBondContact OD1-CB 3.27Å; D831-V853 VanDerWaalsContact OD1-CG2 3.27Å; D831-V853 WeakPolarHBondContact OD1-CG2 3.26Å; D831-V853 PolarHBondContact OD1-N 3.41Å; D831-F855 HydrophobicContact CB-CE2 4.05Å; D831-F855 HydrophobicContact CB-CZ 4.05Å
832T91.2Very high90.5Very high0 Ų055.1 Ų55.10%030%0.295CS..  trans-153.7153.3-174.554.90000111.1G804 K830 Q842 F843 G851 C852G804-T832 VanDerWaalsContact C-OG1 3.29Å; G804-T832 WeakPolarHBondContact CA-OG1 3.42Å; G804-T832 PolarHBondContact O-OG1 3.05Å; K830-T832 HydrophobicContact CD-CG2 4.3Å; K830-T832 HydrophobicContact CG-CG2 4.19Å; T832-Q842 CarbonylContact C-O 3.59Å; T832-Q842 WeakPolarHBondContact CA-O 3.5Å; T832-Q842 WeakPolarHBondContact CB-O 3.39Å; T832-F843 HydrophobicContact CG2-CB 4.47Å; T832-F843 HydrophobicContact CG2-CD1 4.24Å; T832-G851 CarbonylContact O-C 3.53Å; T832-G851 VanDerWaalsContact O-CA 3.25Å; T832-G851 WeakPolarHBondContact O-CA 3.31Å; T832-C852 PolarHBondContact O-N 3.35Å; T832-C852 PolarHBondContact O-SG 3.29Å
833Q91.3Very high90.2Very high67 Ų6750.8 Ų50.831%0.31327%0.27SS..EExtended strand (participates in β ladder)trans-91.6144.7171-63.9-68.5-15.300110.9G841 Q842 V846 E850Q833-G841 WeakPolarHBondContact O-CA 3.28Å; Q833-Q842 HydrophobicContact CB-CB 3.74Å; Q833-Q842 HydrophobicContact CG-CB 3.88Å; Q833-Q842 PolarHBondContact N-O 3.29Å; Q833-Q842 PolarHBondContact O-N 3.31Å; Q833-V846 HydrophobicContact CG-CG2 4.3Å; Q833-E850 PolarHBondContact NE2-O 3.38Å
834P91.9Very high89.7Confident47 Ų4751.5 Ų51.531%0.30527%0.273SS..EExtended strand (participates in β ladder)trans-71.2143.1-172.829.5-33.3000112.2T836 G841 C852P834-T836 HydrophobicContact CB-CG2 4.38Å; P834-T836 HydrophobicContact CG-CG2 4.35Å; P834-T836 PolarHBondContact O-N 3.3Å; P834-G841 WeakPolarHBondContact O-CA 3.24Å; P834-C852 HydrophobicContact CB-CB 4.41Å; P834-C852 HydrophobicContact CG-CB 4.28Å
835V89.2Confident88.9Confident43 Ų4353.7 Ų53.726%0.26129%0.285SS..EExtended strand (participates in β ladder)trans-72.3123.3165-173.10000107.8A808 W809 F843A808-V835 PolarHBondContact O-N 3.44Å; W809-V835 HydrophobicContact CD2-CG2 4.12Å; W809-V835 HydrophobicContact CE3-CB 4.23Å; W809-V835 HydrophobicContact CE3-CG1 4.33Å; W809-V835 HydrophobicContact CE3-CG2 4.03Å; W809-V835 HydrophobicContact CH2-CG2 4.46Å; W809-V835 HydrophobicContact CZ3-CB 4.37Å; W809-V835 HydrophobicContact CZ3-CG1 3.99Å; W809-V835 HydrophobicContact CZ3-CG2 4.21Å; V835-F843 HydrophobicContact CG2-CE2 3.97Å; V835-F843 HydrophobicContact CG2-CZ 3.48Å; V835-F843 VanDerWaalsContact CG2-CZ 3.48Å
836T88.8Confident88.2Confident76 Ų7653.4 Ų53.447%0.46628%0.28SS..  trans-131.6175.3177.2660000109.6P834 Q838 S839P834-T836 HydrophobicContact CB-CG2 4.38Å; P834-T836 HydrophobicContact CG-CG2 4.35Å; P834-T836 PolarHBondContact O-N 3.3Å; T836-Q838 PolarHBondContact O-N 3.35Å; T836-Q838 VanDerWaalsContact O-N 3.1Å; T836-Q838 PolarHBondContact OG1-N 3.47Å; T836-S839 PolarHBondContact N-O 3.02Å; T836-S839 PolarHBondContact O-N 2.85Å; T836-S839 WeakPolarHBondContact OG1-CB 3.49Å; T836-S839 PolarHBondContact OG1-N 3.47Å; T836-S839 VanDerWaalsContact OG1-N 3.08Å
837E83.6Confident87.3Confident208 Ų20856.4 Ų56.497%0.97230%0.3SS*.SBendtrans-58.8-22.4172.9-67.5-174.3169.700113.1
838Q84.9Confident86.6Confident190 Ų19060.5 Ų60.589%0.88832%0.318SS*.SBendtrans-107.6-14.9-175.2-61.71792.800113.9T836T836-Q838 PolarHBondContact O-N 3.35Å; T836-Q838 VanDerWaalsContact O-N 3.1Å; T836-Q838 PolarHBondContact OG1-N 3.47Å
839S87.3Confident85.9Confident46 Ų4663.6 Ų63.632%0.32235%0.351SS..  trans-133.9129.7-176.5177.90000109.9T836 G841T836-S839 PolarHBondContact N-O 3.02Å; T836-S839 PolarHBondContact O-N 2.85Å; T836-S839 WeakPolarHBondContact OG1-CB 3.49Å; T836-S839 PolarHBondContact OG1-N 3.47Å; T836-S839 VanDerWaalsContact OG1-N 3.08Å; S839-G841 PolarHBondContact O-N 2.83Å; S839-G841 PolarHBondContact OG-N 3.04Å
840P83.2Confident85.5Confident112 Ų11269.1 Ų69.173%0.72738%0.376SS*.EExtended strand (participates in β ladder)trans-693172.732.2-36000113.2
841G87.6Confident85.6Confident15 Ų1569.6 Ų69.616%0.15539%0.385CS..EExtended strand (participates in β ladder)trans79.2169.6-170.900000112.2Q833 P834 S839Q833-G841 WeakPolarHBondContact O-CA 3.28Å; P834-G841 WeakPolarHBondContact O-CA 3.24Å; S839-G841 PolarHBondContact O-N 2.83Å; S839-G841 PolarHBondContact OG-N 3.04Å
842Q88.9Confident85.6Confident89 Ų8971.9 Ų71.942%0.41640%0.401SS..EExtended strand (participates in β ladder)trans-133.7111.5173.7-172.9-176.8-15.900108.2T832 Q833 R844 D845 V846T832-Q842 CarbonylContact C-O 3.59Å; T832-Q842 WeakPolarHBondContact CA-O 3.5Å; T832-Q842 WeakPolarHBondContact CB-O 3.39Å; Q833-Q842 HydrophobicContact CB-CB 3.74Å; Q833-Q842 HydrophobicContact CG-CB 3.88Å; Q833-Q842 PolarHBondContact N-O 3.29Å; Q833-Q842 PolarHBondContact O-N 3.31Å; Q842-R844 WeakPolarHBondContact CG-O 2.99Å; Q842-R844 PolarHBondContact NE2-O 3.21Å; Q842-D845 PolarHBondContact NE2-O 3.29Å; Q842-V846 HydrophobicContact CB-CG2 4.02Å; Q842-V846 HydrophobicContact CG-CG2 3.66Å
843F86.4Confident85.7Confident25 Ų2572.5 Ų72.511%0.1140%0.404CS..  trans-102.2-1.8-171.4-62.5-90000113.9D775 N805 A808 W809 K830 T832 V835D775-F843 HydrophobicContact CB-CB 4.02Å; D775-F843 HydrophobicContact CB-CD1 3.66Å; D775-F843 HydrophobicContact CB-CD2 3.77Å; D775-F843 HydrophobicContact CB-CE1 3.9Å; D775-F843 HydrophobicContact CB-CE2 4.06Å; D775-F843 HydrophobicContact CB-CG 3.55Å; D775-F843 HydrophobicContact CB-CZ 4.1Å; N805-F843 VanDerWaalsContact OD1-CD1 3.25Å; N805-F843 WeakPolarHBondContact OD1-CD1 3.37Å; A808-F843 HydrophobicContact CB-CD1 3.94Å; A808-F843 HydrophobicContact CB-CE1 3.37Å; A808-F843 HydrophobicContact CB-CZ 3.97Å; W809-F843 HydrophobicContact CZ2-CZ 4.41Å; W809-F843 AromaticContact NE1-CE1 3.85Å; W809-F843 AromaticContact NE1-CZ 3.8Å; K830-F843 WeakPolarHBondContact CD-O 3.3Å; K830-F843 VanDerWaalsContact CE-O 3.22Å; K830-F843 WeakPolarHBondContact CE-O 3.46Å; T832-F843 HydrophobicContact CG2-CB 4.47Å; T832-F843 HydrophobicContact CG2-CD1 4.24Å; V835-F843 HydrophobicContact CG2-CE2 3.97Å; V835-F843 HydrophobicContact CG2-CZ 3.48Å; V835-F843 VanDerWaalsContact CG2-CZ 3.48Å
844R84.8Confident85.7Confident85 Ų8574.1 Ų74.132%0.32142%0.415SS..SBendtrans-142.1161-178-57.7-173.5-168.8177.49.5110R697 Q842 V846 W876R697-R844 VanDerWaalsContact NH1-NH2 3.14Å; Q842-R844 WeakPolarHBondContact CG-O 2.99Å; Q842-R844 PolarHBondContact NE2-O 3.21Å; R844-V846 PolarHBondContact O-N 2.94Å; R844-W876 HydrophobicContact CB-CD2 4.34Å; R844-W876 HydrophobicContact CB-CG 4.33Å; R844-W876 HydrophobicContact CG-CD2 4.39Å; R844-W876 HydrophobicContact CG-CZ2 3.94Å
845D79.8Confident85.6Confident66 Ų6673.4 Ų73.435%0.35341%0.407SS..SBendtrans53.932.6178.9-56.5-14.5000113Q842 W876 K879Q842-D845 PolarHBondContact NE2-O 3.29Å; D845-W876 WeakPolarHBondContact OD1-CB 3.35Å; D845-K879 IonicContact OD2-NZ 2.92Å; D845-K879 PolarHBondContact OD2-NZ 3.4Å
846V79.5Confident85.5Confident17 Ų1775.6 Ų75.610%0.10342%0.421CS..  trans-104.6113.1172.7-175.50000108D831 Q833 Q842 R844 E850D831-V846 HydrophobicContact CB-CG1 4.08Å; Q833-V846 HydrophobicContact CG-CG2 4.3Å; Q842-V846 HydrophobicContact CB-CG2 4.02Å; Q842-V846 HydrophobicContact CG-CG2 3.66Å; R844-V846 PolarHBondContact O-N 2.94Å; V846-E850 HydrophobicContact CG1-CB 4.35Å
847P77.4Confident85.4Confident67 Ų6772.8 Ų72.844%0.43541%0.407SS..  trans-57.4146174-24.535000111.9G849 E850P847-G849 PolarHBondContact O-N 2.89Å; P847-E850 HydrophobicContact CB-CG 4.1Å; P847-E850 WeakPolarHBondContact CD-OE2 3.13Å; P847-E850 HydrophobicContact CG-CG 4.48Å; P847-E850 PolarHBondContact O-N 3.33Å; P847-E850 VanDerWaalsContact O-N 3.11Å
848F79.2Confident85.8Confident85 Ų8563.1 Ų63.137%0.37336%0.362SS..THydrogen-bonded Turntrans-59128176.5-79.2-85.5000111.1L829 F855 I873 M875L829-F848 HydrophobicContact CB-CE1 4.35Å; L829-F848 HydrophobicContact CB-CZ 4.34Å; L829-F848 WeakPolarHBondContact O-CZ 3.34Å; F848-F855 HydrophobicContact CD1-CD2 4.43Å; F848-F855 AromaticContact CD1-CE1 3.95Å; F848-F855 HydrophobicContact CD1-CE1 3.95Å; F848-F855 AromaticContact CD1-CE2 3.62Å; F848-F855 HydrophobicContact CD1-CE2 3.62Å; F848-F855 AromaticContact CD1-CZ 3.34Å; F848-F855 HydrophobicContact CD1-CZ 3.34Å; F848-F855 AromaticContact CE1-CE1 3.62Å; F848-F855 HydrophobicContact CE1-CE1 3.62Å; F848-F855 HydrophobicContact CE1-CE2 4.16Å; F848-F855 AromaticContact CE1-CZ 3.39Å; F848-F855 HydrophobicContact CE1-CZ 3.39Å; F848-I873 HydrophobicContact CE2-CG2 3.91Å; F848-I873 HydrophobicContact CZ-CG2 4.04Å; F848-M875 HydrophobicContact CD2-CG 4.42Å; F848-M875 HydrophobicContact CE2-CG 3.74Å; F848-M875 HydrophobicContact CE2-SD 4.16Å
849G79.1Confident86.1Confident68 Ų6857.8 Ų57.870%0.70134%0.336SS*.THydrogen-bonded Turntrans93.7-10.9-17900000114.1D831 P847D831-G849 WeakPolarHBondContact OD2-CA 3.14Å; D831-G849 PolarHBondContact OD2-N 3.06Å; P847-G849 PolarHBondContact O-N 2.89Å
850E84.3Confident86.3Confident129 Ų12961.8 Ų61.860%0.60335%0.347SS*.SBendtrans-92.8-13.8176.4-66.5-171.7-171.400113.4D831 Q833 V846 P847D831-E850 PolarHBondContact OD2-N 3.35Å; Q833-E850 PolarHBondContact NE2-O 3.38Å; V846-E850 HydrophobicContact CG1-CB 4.35Å; P847-E850 HydrophobicContact CB-CG 4.1Å; P847-E850 WeakPolarHBondContact CD-OE2 3.13Å; P847-E850 HydrophobicContact CG-CG 4.48Å; P847-E850 PolarHBondContact O-N 3.33Å; P847-E850 VanDerWaalsContact O-N 3.11Å
851G88.1Confident86.8Confident24 Ų2457.8 Ų57.825%0.24732%0.321CS..SBendtrans-97.6-156.4179.400000113.9D831 T832D831-G851 VanDerWaalsContact CG-N 3.31Å; D831-G851 VanDerWaalsContact OD1-C 3.26Å; D831-G851 WeakPolarHBondContact OD1-CA 3.4Å; D831-G851 WeakPolarHBondContact OD2-CA 3.22Å; D831-G851 PolarHBondContact OD2-N 3.18Å; T832-G851 CarbonylContact O-C 3.53Å; T832-G851 VanDerWaalsContact O-CA 3.25Å; T832-G851 WeakPolarHBondContact O-CA 3.31Å
852C91.5Very high87.1Confident51 Ų5157.2 Ų57.235%0.34531%0.314SS..SBendtrans-104.75.3-173.267.50000114.4D831 T832 P834 D854D831-C852 PolarHBondContact OD1-N 3.17Å; T832-C852 PolarHBondContact O-N 3.35Å; T832-C852 PolarHBondContact O-SG 3.29Å; P834-C852 HydrophobicContact CB-CB 4.41Å; P834-C852 HydrophobicContact CG-CB 4.28Å; C852-D854 PolarHBondContact O-N 3.35Å
853V92.5Very high87.2Confident13 Ų1359.2 Ų59.28%0.07932%0.323CS..  trans-80.8119.9-174.7-176.80000111.2V803 D831 F855 I858V803-V853 HydrophobicContact CG2-CG1 4.08Å; D831-V853 WeakPolarHBondContact OD1-CB 3.27Å; D831-V853 VanDerWaalsContact OD1-CG2 3.27Å; D831-V853 WeakPolarHBondContact OD1-CG2 3.26Å; D831-V853 PolarHBondContact OD1-N 3.41Å; V853-F855 VanDerWaalsContact C-N 3.31Å; V853-F855 HydrophobicContact CB-CD2 4.13Å; V853-F855 HydrophobicContact CB-CE1 4.24Å; V853-F855 HydrophobicContact CB-CE2 3.65Å; V853-F855 HydrophobicContact CB-CZ 3.7Å; V853-F855 HydrophobicContact CG1-CD1 3.81Å; V853-F855 HydrophobicContact CG1-CD2 4.03Å; V853-F855 HydrophobicContact CG1-CE1 3.58Å; V853-F855 HydrophobicContact CG1-CE2 3.82Å; V853-F855 HydrophobicContact CG1-CG 4.02Å; V853-F855 HydrophobicContact CG1-CZ 3.58Å; V853-F855 HydrophobicContact CG2-CZ 4.31Å; V853-F855 WeakPolarHBondContact O-CD2 3.48Å; V853-F855 PolarHBondContact O-N 3.28Å; V853-I858 HydrophobicContact CG1-CD1 3.59Å
854D91.7Very high87.6Confident101 Ų10166.5 Ų66.554%0.5436%0.355SS..  trans-80.576171.217815.2000111.2C852 V856 G857 I858C852-D854 PolarHBondContact O-N 3.35Å; D854-V856 VanDerWaalsContact C-N 3.27Å; D854-V856 PolarHBondContact O-N 2.96Å; D854-V856 PolarHBondContact OD1-N 3.2Å; D854-G857 PolarHBondContact O-N 3.49Å; D854-G857 PolarHBondContact OD1-N 3.46Å; D854-G857 WeakPolarHBondContact OD2-CA 3.49Å; D854-I858 WeakPolarHBondContact O-CB 3.13Å; D854-I858 WeakPolarHBondContact O-CD1 3.49Å; D854-I858 VanDerWaalsContact O-CG1 3.25Å; D854-I858 WeakPolarHBondContact O-CG1 3.24Å; D854-I858 PolarHBondContact O-N 3.04Å
855F89.9Confident88Confident32 Ų3264.6 Ų64.614%0.1435%0.351CS..Hα-helixtrans-55.5-41.2179.8-68.9-74000112.6V803 D831 F848 V853 I858 F859V803-F855 HydrophobicContact CG2-CE1 4.22Å; D831-F855 HydrophobicContact CB-CE2 4.05Å; D831-F855 HydrophobicContact CB-CZ 4.05Å; F848-F855 HydrophobicContact CD1-CD2 4.43Å; F848-F855 AromaticContact CD1-CE1 3.95Å; F848-F855 HydrophobicContact CD1-CE1 3.95Å; F848-F855 AromaticContact CD1-CE2 3.62Å; F848-F855 HydrophobicContact CD1-CE2 3.62Å; F848-F855 AromaticContact CD1-CZ 3.34Å; F848-F855 HydrophobicContact CD1-CZ 3.34Å; F848-F855 AromaticContact CE1-CE1 3.62Å; F848-F855 HydrophobicContact CE1-CE1 3.62Å; F848-F855 HydrophobicContact CE1-CE2 4.16Å; F848-F855 AromaticContact CE1-CZ 3.39Å; F848-F855 HydrophobicContact CE1-CZ 3.39Å; V853-F855 VanDerWaalsContact C-N 3.31Å; V853-F855 HydrophobicContact CB-CD2 4.13Å; V853-F855 HydrophobicContact CB-CE1 4.24Å; V853-F855 HydrophobicContact CB-CE2 3.65Å; V853-F855 HydrophobicContact CB-CZ 3.7Å; V853-F855 HydrophobicContact CG1-CD1 3.81Å; V853-F855 HydrophobicContact CG1-CD2 4.03Å; V853-F855 HydrophobicContact CG1-CE1 3.58Å; V853-F855 HydrophobicContact CG1-CE2 3.82Å; V853-F855 HydrophobicContact CG1-CG 4.02Å; V853-F855 HydrophobicContact CG1-CZ 3.58Å; V853-F855 HydrophobicContact CG2-CZ 4.31Å; V853-F855 WeakPolarHBondContact O-CD2 3.48Å; V853-F855 PolarHBondContact O-N 3.28Å; F855-I858 PolarHBondContact O-N 3.46Å; F855-F859 HydrophobicContact CB-CD2 4.31Å; F855-F859 HydrophobicContact CB-CE2 4.02Å; F855-F859 HydrophobicContact CD1-CE2 4.49Å; F855-F859 WeakPolarHBondContact O-CD2 3.39Å; F855-F859 WeakPolarHBondContact O-CG 3.33Å; F855-F859 PolarHBondContact O-N 3.03Å
856V86.4Confident88.7Confident89 Ų8966.5 Ų66.554%0.53936%0.361SS..Hα-helixtrans-65-46.8-178.3177.40000110.8D854 F859 K860D854-V856 VanDerWaalsContact C-N 3.27Å; D854-V856 PolarHBondContact O-N 2.96Å; D854-V856 PolarHBondContact OD1-N 3.2Å; V856-F859 PolarHBondContact O-N 2.72Å; V856-K860 HydrophobicContact CG1-CD 4.23Å; V856-K860 WeakPolarHBondContact O-CB 3.46Å; V856-K860 VanDerWaalsContact O-CG 3.32Å; V856-K860 WeakPolarHBondContact O-CG 3.34Å; V856-K860 PolarHBondContact O-N 3.44Å
857G87.5Confident89.3Confident17 Ų1766.9 Ų66.918%0.17536%0.361CS..Hα-helixtrans-63.6-39.617600000112.8D854 K860 T861D854-G857 PolarHBondContact O-N 3.49Å; D854-G857 PolarHBondContact OD1-N 3.46Å; D854-G857 WeakPolarHBondContact OD2-CA 3.49Å; G857-K860 PolarHBondContact O-N 2.87Å; G857-T861 WeakPolarHBondContact O-CB 3.45Å; G857-T861 PolarHBondContact O-N 2.87Å; G857-T861 PolarHBondContact O-OG1 2.99Å
858I92.7Very high89.8Confident5 Ų571.6 Ų71.63%0.02637%0.37CS..Hα-helixtrans-61.6-51.6174.9-73.3160.3000110.7V803 V813 L817 V853 D854 F855 K860 T861 L862V803-I858 HydrophobicContact CB-CD1 3.88Å; V803-I858 HydrophobicContact CG1-CD1 4.38Å; V803-I858 HydrophobicContact CG1-CG2 4.12Å; V803-I858 HydrophobicContact CG2-CD1 4.23Å; V813-I858 HydrophobicContact CG1-CD1 4.05Å; V813-I858 HydrophobicContact CG1-CG1 3.89Å; L817-I858 HydrophobicContact CD1-CG2 4.04Å; V853-I858 HydrophobicContact CG1-CD1 3.59Å; D854-I858 WeakPolarHBondContact O-CB 3.13Å; D854-I858 WeakPolarHBondContact O-CD1 3.49Å; D854-I858 VanDerWaalsContact O-CG1 3.25Å; D854-I858 WeakPolarHBondContact O-CG1 3.24Å; D854-I858 PolarHBondContact O-N 3.04Å; F855-I858 PolarHBondContact O-N 3.46Å; I858-K860 VanDerWaalsContact C-N 3.35Å; I858-K860 PolarHBondContact O-N 3.4Å; I858-T861 WeakPolarHBondContact O-CA 3.5Å; I858-T861 WeakPolarHBondContact O-CB 3.34Å; I858-T861 PolarHBondContact O-N 3.43Å; I858-L862 HydrophobicContact CG2-CD1 3.8Å; I858-L862 HydrophobicContact CG2-CG 4.34Å; I858-L862 WeakPolarHBondContact O-CG 3.42Å; I858-L862 PolarHBondContact O-N 3.19Å
859F91.4Very high90.2Very high77 Ų7769.3 Ų69.334%0.33837%0.37SS..Hα-helixtrans-63.6-39.1179.9-69.7-51.2000112.4L829 F855 V856 T861 L862 H863 F871L829-F859 HydrophobicContact CD1-CE1 4.16Å; L829-F859 HydrophobicContact CD1-CZ 3.8Å; L829-F859 HydrophobicContact CD2-CE1 4.23Å; L829-F859 HydrophobicContact CD2-CZ 4.15Å; F855-F859 HydrophobicContact CB-CD2 4.31Å; F855-F859 HydrophobicContact CB-CE2 4.02Å; F855-F859 HydrophobicContact CD1-CE2 4.49Å; F855-F859 WeakPolarHBondContact O-CD2 3.39Å; F855-F859 WeakPolarHBondContact O-CG 3.33Å; F855-F859 PolarHBondContact O-N 3.03Å; V856-F859 PolarHBondContact O-N 2.72Å; F859-T861 VanDerWaalsContact C-N 3.28Å; F859-T861 PolarHBondContact O-N 2.69Å; F859-L862 HydrophobicContact CD1-CD1 4.48Å; F859-L862 PolarHBondContact O-N 3.07Å; F859-H863 VanDerWaalsContact O-CB 3.27Å; F859-H863 WeakPolarHBondContact O-CB 3.43Å; F859-H863 PolarHBondContact O-N 2.85Å; F859-F871 HydrophobicContact CD1-CE1 4.12Å; F859-F871 HydrophobicContact CD1-CZ 4.2Å; F859-F871 HydrophobicContact CE1-CD1 4.05Å; F859-F871 AromaticContact CE1-CE1 3.7Å; F859-F871 HydrophobicContact CE1-CE1 3.7Å; F859-F871 HydrophobicContact CE1-CZ 4.08Å
860K91.3Very high90.8Very high131 Ų13167.8 Ų67.857%0.5735%0.349SS*.Hα-helixtrans-59.4-40.8171.6-76.8173.9-178.6172.80111.7V856 G857 I858 K864V856-K860 HydrophobicContact CG1-CD 4.23Å; V856-K860 WeakPolarHBondContact O-CB 3.46Å; V856-K860 VanDerWaalsContact O-CG 3.32Å; V856-K860 WeakPolarHBondContact O-CG 3.34Å; V856-K860 PolarHBondContact O-N 3.44Å; G857-K860 PolarHBondContact O-N 2.87Å; I858-K860 VanDerWaalsContact C-N 3.35Å; I858-K860 PolarHBondContact O-N 3.4Å; K860-K864 VanDerWaalsContact O-CG 3.31Å; K860-K864 WeakPolarHBondContact O-CG 3.38Å; K860-K864 PolarHBondContact O-N 3.05Å; K860-K864 VanDerWaalsContact O-N 3.1Å
861T92.7Very high91.1Very high28 Ų2865.2 Ų65.217%0.17234%0.336CS..Hα-helixtrans-67.5-49.6178.3-60.80000111.2P814 G857 I858 F859 H863 K864 L865P814-T861 HydrophobicContact CB-CG2 3.96Å; G857-T861 WeakPolarHBondContact O-CB 3.45Å; G857-T861 PolarHBondContact O-N 2.87Å; G857-T861 PolarHBondContact O-OG1 2.99Å; I858-T861 WeakPolarHBondContact O-CA 3.5Å; I858-T861 WeakPolarHBondContact O-CB 3.34Å; I858-T861 PolarHBondContact O-N 3.43Å; F859-T861 VanDerWaalsContact C-N 3.28Å; F859-T861 PolarHBondContact O-N 2.69Å; T861-H863 VanDerWaalsContact C-N 3.29Å; T861-H863 PolarHBondContact O-N 3.24Å; T861-K864 WeakPolarHBondContact O-CB 3.45Å; T861-K864 PolarHBondContact O-N 2.88Å; T861-K864 VanDerWaalsContact O-N 3.12Å; T861-L865 HydrophobicContact CG2-CD1 3.84Å; T861-L865 HydrophobicContact CG2-CG 4.28Å; T861-L865 WeakPolarHBondContact O-CB 3.43Å; T861-L865 VanDerWaalsContact O-CG 3.31Å; T861-L865 WeakPolarHBondContact O-CG 3.49Å; T861-L865 PolarHBondContact O-N 3.45Å
862L94.5Very high91.3Very high3 Ų365.2 Ų65.22%0.01633%0.33CS..Hα-helixtrans-60.1-38.8177.5-71.1172.9000112.3L817 I827 I858 F859 L865 N866 Y867 F871L817-L862 HydrophobicContact CD1-CD2 3.99Å; L817-L862 HydrophobicContact CD1-CG 4.12Å; L817-L862 HydrophobicContact CD2-CD2 4.27Å; I827-L862 HydrophobicContact CD1-CD1 3.55Å; I827-L862 HydrophobicContact CD1-CD2 3.57Å; I827-L862 HydrophobicContact CD1-CG 4.23Å; I858-L862 HydrophobicContact CG2-CD1 3.8Å; I858-L862 HydrophobicContact CG2-CG 4.34Å; I858-L862 WeakPolarHBondContact O-CG 3.42Å; I858-L862 PolarHBondContact O-N 3.19Å; F859-L862 HydrophobicContact CD1-CD1 4.48Å; F859-L862 PolarHBondContact O-N 3.07Å; L862-L865 CarbonylContact O-C 3.52Å; L862-L865 PolarHBondContact O-N 3.45Å; L862-N866 PolarHBondContact O-N 2.78Å; L862-N866 VanDerWaalsContact O-N 3.1Å; L862-Y867 HydrophobicContact CD2-CD1 4.43Å; L862-Y867 HydrophobicContact CD2-CG 4.19Å; L862-Y867 PolarHBondContact O-N 3.29Å; L862-F871 HydrophobicContact CD1-CE1 3.63Å; L862-F871 HydrophobicContact CD1-CZ 4.01Å
863H90.8Very high91Very high131 Ų13166.4 Ų66.461%0.60633%0.332SS*.Hα-helixtrans-61.1-47.8173.7-175.383.7000111.6F859 T861 L865 N866F859-H863 VanDerWaalsContact O-CB 3.27Å; F859-H863 WeakPolarHBondContact O-CB 3.43Å; F859-H863 PolarHBondContact O-N 2.85Å; T861-H863 VanDerWaalsContact C-N 3.29Å; T861-H863 PolarHBondContact O-N 3.24Å; H863-L865 VanDerWaalsContact C-N 3.28Å; H863-L865 PolarHBondContact O-N 2.88Å; H863-N866 WeakPolarHBondContact O-CA 3.46Å; H863-N866 PolarHBondContact O-N 3.49Å
864K94.5Very high90.2Very high178 Ų17867.9 Ų67.977%0.77434%0.338SS*.Hα-helixtrans-62.3-34.3175.4-73.3173.1-177.6177.40112.8K860 T861 N866K860-K864 VanDerWaalsContact O-CG 3.31Å; K860-K864 WeakPolarHBondContact O-CG 3.38Å; K860-K864 PolarHBondContact O-N 3.05Å; K860-K864 VanDerWaalsContact O-N 3.1Å; T861-K864 WeakPolarHBondContact O-CB 3.45Å; T861-K864 PolarHBondContact O-N 2.88Å; T861-K864 VanDerWaalsContact O-N 3.12Å; K864-N866 PolarHBondContact O-N 3.5Å
865L94.1Very high89Confident45 Ų4567.9 Ų67.924%0.23634%0.336CS..THydrogen-bonded Turntrans-78.30.4175.1-67176.6000113.1L817 K818 I821 T861 L862 H863 Y867L817-L865 HydrophobicContact CB-CD1 4.32Å; K818-L865 HydrophobicContact CB-CD1 4.2Å; K818-L865 HydrophobicContact CB-CD2 4.24Å; K818-L865 HydrophobicContact CG-CD2 4.02Å; I821-L865 HydrophobicContact CD1-CB 3.91Å; I821-L865 HydrophobicContact CD1-CD1 4.29Å; I821-L865 HydrophobicContact CG1-CB 4.07Å; T861-L865 HydrophobicContact CG2-CD1 3.84Å; T861-L865 HydrophobicContact CG2-CG 4.28Å; T861-L865 WeakPolarHBondContact O-CB 3.43Å; T861-L865 VanDerWaalsContact O-CG 3.31Å; T861-L865 WeakPolarHBondContact O-CG 3.49Å; T861-L865 PolarHBondContact O-N 3.45Å; L862-L865 CarbonylContact O-C 3.52Å; L862-L865 PolarHBondContact O-N 3.45Å; H863-L865 VanDerWaalsContact C-N 3.28Å; H863-L865 PolarHBondContact O-N 2.88Å; L865-Y867 VanDerWaalsContact C-N 3.26Å; L865-Y867 PolarHBondContact O-N 2.76Å
866N93Very high87.6Confident106 Ų10670.6 Ų70.657%0.56735%0.345SS*.THydrogen-bonded Turntrans58.233.3-178.7-164.442.7000114L862 H863 K864 R868L862-N866 PolarHBondContact O-N 2.78Å; L862-N866 VanDerWaalsContact O-N 3.1Å; H863-N866 WeakPolarHBondContact O-CA 3.46Å; H863-N866 PolarHBondContact O-N 3.49Å; K864-N866 PolarHBondContact O-N 3.5Å; N866-R868 PolarHBondContact O-N 3.21Å; N866-R868 PolarHBondContact OD1-NH1 2.95Å; N866-R868 PolarHBondContact OD1-NH2 2.68Å
867Y93Very high85.8Confident24 Ų2468.6 Ų68.69%0.09433%0.334CS..  trans-65.3131.8171.5-176.1-105.5000110.1I821 I824 A826 I827 L862 L865 G869 S870 F871I821-Y867 HydrophobicContact CD1-CD2 4.19Å; I824-Y867 HydrophobicContact CB-CE2 4.3Å; I824-Y867 HydrophobicContact CG2-CD2 4.41Å; I824-Y867 HydrophobicContact CG2-CE2 3.6Å; A826-Y867 WeakPolarHBondContact CA-OH 3.39Å; I827-Y867 HydrophobicContact CD1-CD1 3.98Å; I827-Y867 HydrophobicContact CD1-CD2 4.46Å; I827-Y867 HydrophobicContact CD1-CE1 3.62Å; I827-Y867 HydrophobicContact CD1-CE2 4.15Å; I827-Y867 HydrophobicContact CD1-CG 4.37Å; I827-Y867 HydrophobicContact CG1-CE1 4.07Å; I827-Y867 HydrophobicContact CG1-CE2 4.37Å; L862-Y867 HydrophobicContact CD2-CD1 4.43Å; L862-Y867 HydrophobicContact CD2-CG 4.19Å; L862-Y867 PolarHBondContact O-N 3.29Å; L865-Y867 VanDerWaalsContact C-N 3.26Å; L865-Y867 PolarHBondContact O-N 2.76Å; Y867-G869 WeakPolarHBondContact CE1-O 3.42Å; Y867-G869 VanDerWaalsContact OH-C 3.28Å; Y867-G869 WeakPolarHBondContact OH-CA 3.17Å; Y867-S870 PolarHBondContact OH-N 3.5Å; Y867-S870 PolarHBondContact OH-O 2.54Å; Y867-F871 HydrophobicContact CD1-CE1 4.2Å; Y867-F871 HydrophobicContact CD1-CE2 4.17Å; Y867-F871 AromaticContact CD1-CZ 3.66Å; Y867-F871 HydrophobicContact CD1-CZ 3.66Å; Y867-F871 HydrophobicContact CE1-CD1 4.48Å; Y867-F871 AromaticContact CE1-CE1 3.94Å; Y867-F871 HydrophobicContact CE1-CE1 3.94Å; Y867-F871 HydrophobicContact CE1-CE2 4.01Å; Y867-F871 AromaticContact CE1-CZ 3.68Å; Y867-F871 HydrophobicContact CE1-CZ 3.68Å
868R88.2Confident83.8Confident167 Ų16774.7 Ų74.763%0.6336%0.357SS*.  trans-133.814.7178-62.2-65.6-178.5-87.9-2.1111.9N866N866-R868 PolarHBondContact O-N 3.21Å; N866-R868 PolarHBondContact OD1-NH1 2.95Å; N866-R868 PolarHBondContact OD1-NH2 2.68Å
869G87.7Confident81.5Confident36 Ų3682.4 Ų82.437%0.37139%0.391SS..SBendtrans-80.3-174.9178.100000112.1Y867Y867-G869 WeakPolarHBondContact CE1-O 3.42Å; Y867-G869 VanDerWaalsContact OH-C 3.28Å; Y867-G869 WeakPolarHBondContact OH-CA 3.17Å
870S90.5Very high79Confident37 Ų3780.4 Ų80.426%0.25939%0.388SS..  trans-79.2147.3-177.645.90000112.6A826 I827 Y867A826-S870 WeakPolarHBondContact CB-OG 3.39Å; I827-S870 PolarHBondContact N-O 3.48Å; I827-S870 VanDerWaalsContact N-O 3.13Å; Y867-S870 PolarHBondContact OH-N 3.5Å; Y867-S870 PolarHBondContact OH-O 2.54Å
871F92.1Very high76.6Confident75 Ų7583.9 Ų83.933%0.32940%0.404SS..EExtended strand (participates in β ladder)trans-110.2126.8166.6-63.8-80.8000108.2F652 I827 L829 F859 L862 Y867F652-F871 WeakPolarHBondContact CZ-O 3.34Å; I827-F871 HydrophobicContact CB-CD1 4.11Å; I827-F871 HydrophobicContact CB-CE1 4.41Å; I827-F871 HydrophobicContact CD1-CE1 4.13Å; I827-F871 HydrophobicContact CG2-CD1 4.43Å; I827-F871 WeakPolarHBondContact O-CA 3.39Å; L829-F871 HydrophobicContact CD1-CB 3.82Å; L829-F871 HydrophobicContact CD1-CD1 3.96Å; L829-F871 HydrophobicContact CD1-CG 4.19Å; L829-F871 HydrophobicContact CD2-CD1 4.11Å; L829-F871 HydrophobicContact CG-CB 4.35Å; L829-F871 HydrophobicContact CG-CD1 4.16Å; F859-F871 HydrophobicContact CD1-CE1 4.12Å; F859-F871 HydrophobicContact CD1-CZ 4.2Å; F859-F871 HydrophobicContact CE1-CD1 4.05Å; F859-F871 AromaticContact CE1-CE1 3.7Å; F859-F871 HydrophobicContact CE1-CE1 3.7Å; F859-F871 HydrophobicContact CE1-CZ 4.08Å; L862-F871 HydrophobicContact CD1-CE1 3.63Å; L862-F871 HydrophobicContact CD1-CZ 4.01Å; Y867-F871 HydrophobicContact CD1-CE1 4.2Å; Y867-F871 HydrophobicContact CD1-CE2 4.17Å; Y867-F871 AromaticContact CD1-CZ 3.66Å; Y867-F871 HydrophobicContact CD1-CZ 3.66Å; Y867-F871 HydrophobicContact CE1-CD1 4.48Å; Y867-F871 AromaticContact CE1-CE1 3.94Å; Y867-F871 HydrophobicContact CE1-CE1 3.94Å; Y867-F871 HydrophobicContact CE1-CE2 4.01Å; Y867-F871 AromaticContact CE1-CZ 3.68Å; Y867-F871 HydrophobicContact CE1-CZ 3.68Å
872L90.5Very high74.2Confident24 Ų2488.3 Ų88.313%0.12642%0.422CS..EExtended strand (participates in β ladder)trans-106.1126171.9-174.379.8000108.7F652 E654 I827 H828 L829F652-L872 HydrophobicContact CD2-CD1 4.39Å; F652-L872 HydrophobicContact CE2-CB 4.47Å; F652-L872 HydrophobicContact CE2-CD1 3.65Å; F652-L872 HydrophobicContact CZ-CD1 4.34Å; E654-L872 HydrophobicContact CB-CD1 3.78Å; E654-L872 HydrophobicContact CB-CD2 3.67Å; E654-L872 HydrophobicContact CB-CG 4.4Å; E654-L872 HydrophobicContact CG-CD2 4.2Å; E654-L872 WeakPolarHBondContact OE1-CD2 3.41Å; I827-L872 PolarHBondContact O-N 2.88Å; H828-L872 CarbonylContact C-O 3.59Å; H828-L872 WeakPolarHBondContact CA-O 3.35Å; H828-L872 VanDerWaalsContact CD2-CD2 3.48Å; H828-L872 WeakPolarHBondContact CD2-CD2 3.46Å; H828-L872 WeakPolarHBondContact NE2-CD2 3.04Å; L829-L872 PolarHBondContact N-O 3.48Å
873I86.1Confident71.6Confident76 Ų7689.9 Ų89.939%0.3943%0.433SS..EExtended strand (participates in β ladder)trans-85.6115.6173.4-64.4-177.5000108F650 L829 F848 M875F650-I873 HydrophobicContact CE1-CD1 4.12Å; L829-I873 HydrophobicContact CD1-CG1 4.44Å; F848-I873 HydrophobicContact CE2-CG2 3.91Å; F848-I873 HydrophobicContact CZ-CG2 4.04Å; I873-M875 HydrophobicContact CG2-CG 3.6Å; I873-M875 HydrophobicContact CG2-SD 3.72Å
874E75.7Confident69.4Low44 Ų4485.7 Ų85.721%0.20642%0.416CS..  trans-9997.1176-170.7-174.7-164.800109.1H828 L829 K830 W876H828-E874 IonicContact ND1-OE2 2.78Å; L829-E874 PolarHBondContact O-N 3.46Å; K830-E874 HydrophobicContact CB-CB 4.4Å; K830-E874 WeakPolarHBondContact CD-OE2 3.01Å; K830-E874 IonicContact NZ-OE2 3.69Å; K830-E874 PolarHBondContact NZ-OE2 3.24Å; E874-W876 WeakPolarHBondContact OE1-CZ2 3.47Å
875M67.4Low67.1Low100 Ų10081 Ų8149%0.49340%0.399SS..  trans-113.1131.9176.9-70.6174.275.100111.4F848 I873 T877F848-M875 HydrophobicContact CD2-CG 4.42Å; F848-M875 HydrophobicContact CE2-CG 3.74Å; F848-M875 HydrophobicContact CE2-SD 4.16Å; I873-M875 HydrophobicContact CG2-CG 3.6Å; I873-M875 HydrophobicContact CG2-SD 3.72Å; M875-T877 HydrophobicContact CB-CG2 3.91Å; M875-T877 HydrophobicContact CE-CG2 4.04Å; M875-T877 PolarHBondContact O-N 2.97Å
876W58.8Low64.7Low89 Ų8984.2 Ų84.234%0.33741%0.413SS..  trans-96.376.1178-58.384.7000109.5R844 D845 E874R844-W876 HydrophobicContact CB-CD2 4.34Å; R844-W876 HydrophobicContact CB-CG 4.33Å; R844-W876 HydrophobicContact CG-CD2 4.39Å; R844-W876 HydrophobicContact CG-CZ2 3.94Å; D845-W876 WeakPolarHBondContact OD1-CB 3.35Å; E874-W876 WeakPolarHBondContact OE1-CZ2 3.47Å
877T49.1Very low62.6Low48 Ų4882.9 Ų82.929%0.29441%0.405SS..  trans-94.69.1-17356.10000114.1M875 K879 A880 P883M875-T877 HydrophobicContact CB-CG2 3.91Å; M875-T877 HydrophobicContact CE-CG2 4.04Å; M875-T877 PolarHBondContact O-N 2.97Å; T877-K879 PolarHBondContact O-N 2.82Å; T877-A880 PolarHBondContact O-N 3.16Å; T877-P883 HydrophobicContact CG2-CB 3.72Å; T877-P883 HydrophobicContact CG2-CG 4.18Å
878E46.6Very low60.7Low144 Ų14484.8 Ų84.867%0.67342%0.416SS*.THydrogen-bonded Turntrans-58.5-23.2-177.9-67.2-177.8173.300113.3
879K42.8Very low59.3Low168 Ų16881.7 Ų81.773%0.7341%0.409SS*.THydrogen-bonded Turntrans-91.2-17.4175-65.2177.1-176.7160.10114.5D845 T877D845-K879 IonicContact OD2-NZ 2.92Å; D845-K879 PolarHBondContact OD2-NZ 3.4Å; T877-K879 PolarHBondContact O-N 2.82Å
880A39.1Very low57.9Low34 Ų3483 Ų8328%0.28142%0.416SS..SBendtrans-76.7132.7176.200000108.9T877 E882 P883T877-A880 PolarHBondContact O-N 3.16Å; A880-E882 VanDerWaalsContact C-N 3.33Å; A880-E882 PolarHBondContact O-N 2.81Å; A880-P883 HydrophobicContact CB-CB 4.3Å
881K40.9Very low57.1Low205 Ų20584.3 Ų84.389%0.89142%0.415SS*.SBendtrans-59.5-42.8-172.5-87.6-177.3175.9178.90111.6
882E42.5Very low56.3Low120 Ų12086.8 Ų86.856%0.56143%0.428SS*.  trans-15691.6171.6-68-158.4-178.800113.1A880 V884 L885 E886A880-E882 VanDerWaalsContact C-N 3.33Å; A880-E882 PolarHBondContact O-N 2.81Å; E882-V884 PolarHBondContact O-N 3.02Å; E882-L885 HydrophobicContact CB-CB 3.98Å; E882-L885 PolarHBondContact O-N 3.43Å; E882-E886 PolarHBondContact O-N 2.93Å
883P40.2Very low55.8Low37 Ų3790.8 Ų90.824%0.2445%0.446CS..Hα-helixtrans-74.1-28.9-168.828.2-37.3000115.4T877 A880 E886 I887T877-P883 HydrophobicContact CG2-CB 3.72Å; T877-P883 HydrophobicContact CG2-CG 4.18Å; A880-P883 HydrophobicContact CB-CB 4.3Å; P883-E886 PolarHBondContact O-N 3.05Å; P883-I887 PolarHBondContact O-N 2.98Å
884V45.3Very low56Low42 Ų4288.1 Ų88.126%0.25543%0.433SS..Hα-helixtrans-74.8-36.8177.3173.30000110.9L644 C648 E882 E886 I887 I888L644-V884 HydrophobicContact CD1-CG1 3.85Å; L644-V884 HydrophobicContact CD1-CG2 4.35Å; L644-V884 HydrophobicContact CD2-CG2 4.18Å; L644-V884 HydrophobicContact CG-CG2 4.4Å; C648-V884 WeakPolarHBondContact SG-CG1 3.4Å; E882-V884 PolarHBondContact O-N 3.02Å; V884-E886 PolarHBondContact O-N 2.89Å; V884-I887 PolarHBondContact O-N 2.84Å; V884-I888 HydrophobicContact CG1-CD1 3.87Å; V884-I888 HydrophobicContact CG1-CG1 4.47Å; V884-I888 WeakPolarHBondContact O-CG1 3.45Å; V884-I888 PolarHBondContact O-N 3.34Å; V884-I888 VanDerWaalsContact O-N 3.14Å
885L45.5Very low56.8Low81 Ų8186.8 Ų86.842%0.42443%0.426SS..Hα-helixtrans-60-41.1173.1-140.484.3000109.4E882 I887 I888 Q889E882-L885 HydrophobicContact CB-CB 3.98Å; E882-L885 PolarHBondContact O-N 3.43Å; L885-I887 PolarHBondContact O-N 3.33Å; L885-I888 PolarHBondContact O-N 2.98Å; L885-Q889 HydrophobicContact CG-CG 4.34Å; L885-Q889 WeakPolarHBondContact O-CA 3.41Å; L885-Q889 WeakPolarHBondContact O-CB 3.33Å; L885-Q889 WeakPolarHBondContact O-CG 3.18Å; L885-Q889 PolarHBondContact O-N 2.99Å
886E43.2Very low57.8Low111 Ų11183.9 Ų83.952%0.51942%0.418SS..Hα-helixtrans-61.1-42.9177.1-75.9177.1-179.200113.7E882 P883 V884 Q889 A890E882-E886 PolarHBondContact O-N 2.93Å; P883-E886 PolarHBondContact O-N 3.05Å; V884-E886 PolarHBondContact O-N 2.89Å; E886-Q889 PolarHBondContact O-N 2.9Å; E886-A890 WeakPolarHBondContact O-CB 3.34Å; E886-A890 PolarHBondContact O-N 3.24Å
887I48.7Very low59.3Low78 Ų7883.3 Ų83.340%0.442%0.422SS..Hα-helixtrans-67.8-42.3178.5-65.1173.3000111.2P883 V884 L885 R891P883-I887 PolarHBondContact O-N 2.98Å; V884-I887 PolarHBondContact O-N 2.84Å; L885-I887 PolarHBondContact O-N 3.33Å; I887-R891 PolarHBondContact O-N 3.3Å
888I54.7Low61.6Low65 Ų6581 Ų8133%0.33341%0.408SS..Hα-helixtrans-66.9-43.7177.3-65.3173.6000109.7V884 L885 R891 Q892V884-I888 HydrophobicContact CG1-CD1 3.87Å; V884-I888 HydrophobicContact CG1-CG1 4.47Å; V884-I888 WeakPolarHBondContact O-CG1 3.45Å; V884-I888 PolarHBondContact O-N 3.34Å; V884-I888 VanDerWaalsContact O-N 3.14Å; L885-I888 PolarHBondContact O-N 2.98Å; I888-R891 PolarHBondContact O-N 2.86Å; I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.31Å; I888-Q892 WeakPolarHBondContact O-CG 3.41Å; I888-Q892 PolarHBondContact O-N 2.94Å
889Q57.1Low63.9Low102 Ų10275.5 Ų75.548%0.47738%0.382SS..Hα-helixtrans-66.6-42.7178.4-76.6174.8-19.700111.9L885 E886 R891 Q892 Q893L885-Q889 HydrophobicContact CG-CG 4.34Å; L885-Q889 WeakPolarHBondContact O-CA 3.41Å; L885-Q889 WeakPolarHBondContact O-CB 3.33Å; L885-Q889 WeakPolarHBondContact O-CG 3.18Å; L885-Q889 PolarHBondContact O-N 2.99Å; E886-Q889 PolarHBondContact O-N 2.9Å; Q889-R891 VanDerWaalsContact C-N 3.32Å; Q889-R891 PolarHBondContact O-N 2.8Å; Q889-Q892 PolarHBondContact O-N 2.82Å; Q889-Q893 WeakPolarHBondContact O-CB 3.46Å; Q889-Q893 PolarHBondContact O-N 3.02Å
890A59.2Low66.4Low63 Ų6370.2 Ų70.252%0.52137%0.37SS..Hα-helixtrans-61.8-41.3177.300000111.2E886 Q893 L894E886-A890 WeakPolarHBondContact O-CB 3.34Å; E886-A890 PolarHBondContact O-N 3.24Å; A890-Q893 PolarHBondContact O-N 2.89Å; A890-L894 PolarHBondContact O-N 3.3Å
891R73.3Confident69.1Low65 Ų6568.8 Ų68.825%0.24536%0.359CS..Hα-helixtrans-71.1-40176.8-154.9-173.9-41.3153.18.6112.4I887 I888 Q889 Q893 L894 K895 E957I887-R891 PolarHBondContact O-N 3.3Å; I888-R891 PolarHBondContact O-N 2.86Å; Q889-R891 VanDerWaalsContact C-N 3.32Å; Q889-R891 PolarHBondContact O-N 2.8Å; R891-Q893 VanDerWaalsContact C-N 3.32Å; R891-L894 PolarHBondContact O-N 3.34Å; R891-K895 PolarHBondContact O-N 3.24Å; R891-E957 IonicContact NH1-OE2 3.59Å; R891-E957 PolarHBondContact NH1-OE2 3.3Å
892Q76.3Confident71.8Confident127 Ų12759 Ų5959%0.59332%0.316SS*.Hα-helixtrans-65.1-36.9173.4-76.8-160.4-11.800111.9I888 Q889 K895 A896I888-Q892 HydrophobicContact CG2-CG 4.49Å; I888-Q892 WeakPolarHBondContact O-CB 3.31Å; I888-Q892 WeakPolarHBondContact O-CG 3.41Å; I888-Q892 PolarHBondContact O-N 2.94Å; Q889-Q892 PolarHBondContact O-N 2.82Å; Q892-K895 WeakPolarHBondContact O-CB 3.39Å; Q892-K895 PolarHBondContact O-N 3.27Å; Q892-A896 PolarHBondContact O-N 3.03Å
893Q79.7Confident74.3Confident107 Ų10756.6 Ų56.650%0.531%0.307SS..Hα-helixtrans-64.8-45.4174.7-172.560.853.900110.7Q889 A890 R891 K895 A896 D897Q889-Q893 WeakPolarHBondContact O-CB 3.46Å; Q889-Q893 PolarHBondContact O-N 3.02Å; A890-Q893 PolarHBondContact O-N 2.89Å; R891-Q893 VanDerWaalsContact C-N 3.32Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 2.61Å; Q893-A896 WeakPolarHBondContact O-CB 3.38Å; Q893-A896 PolarHBondContact O-N 2.84Å; Q893-A896 VanDerWaalsContact O-N 3.08Å; Q893-D897 PolarHBondContact NE2-OD1 2.8Å; Q893-D897 VanDerWaalsContact O-CG 3.24Å; Q893-D897 PolarHBondContact O-N 3.15Å
894L89.8Confident77Confident21 Ų2156 Ų5611%0.1131%0.305CS..Hα-helixtrans-59.6-40.5175.6-173.362.3000111.8A890 R891 D897 V898 A920 D922 V929A890-L894 PolarHBondContact O-N 3.3Å; R891-L894 PolarHBondContact O-N 3.34Å; L894-D897 PolarHBondContact O-N 3.41Å; L894-V898 WeakPolarHBondContact O-CG2 3.22Å; L894-V898 PolarHBondContact O-N 3.02Å; L894-A920 HydrophobicContact CD1-CB 3.75Å; L894-D922 HydrophobicContact CD2-CB 3.77Å; L894-V929 HydrophobicContact CD2-CG2 3.81Å; L894-V929 HydrophobicContact CG-CB 4.36Å; L894-V929 HydrophobicContact CG-CG2 3.93Å
895K92.3Very high79.4Confident15 Ų1554 Ų547%0.06529%0.293CS..Hα-helixtrans-60.8-44.3172.3-76.3-178.4161.2-169.30112.6R891 Q892 Q893 D897 V898 L899 V929 M945 V947 E957R891-K895 PolarHBondContact O-N 3.24Å; Q892-K895 WeakPolarHBondContact O-CB 3.39Å; Q892-K895 PolarHBondContact O-N 3.27Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 2.61Å; K895-D897 VanDerWaalsContact C-N 3.35Å; K895-V898 PolarHBondContact O-N 2.54Å; K895-L899 WeakPolarHBondContact O-CB 3.39Å; K895-L899 PolarHBondContact O-N 3.44Å; K895-V929 HydrophobicContact CG-CG1 3.96Å; K895-V929 HydrophobicContact CG-CG2 4.29Å; K895-M945 HydrophobicContact CB-CB 4.43Å; K895-M945 HydrophobicContact CB-CG 4.5Å; K895-M945 HydrophobicContact CG-CB 4.11Å; K895-V947 VanDerWaalsContact CE-CG2 3.49Å; K895-E957 WeakPolarHBondContact CE-OE1 3.18Å; K895-E957 IonicContact NZ-OE1 2.7Å; K895-E957 PolarHBondContact NZ-OE1 3.34Å
896A88.8Confident81.7Confident40 Ų4052.6 Ų52.633%0.33129%0.288SS..Hα-helixtrans-63-41.3177.100000111.8Q892 Q893 L899 A900Q892-A896 PolarHBondContact O-N 3.03Å; Q893-A896 WeakPolarHBondContact O-CB 3.38Å; Q893-A896 PolarHBondContact O-N 2.84Å; Q893-A896 VanDerWaalsContact O-N 3.08Å; A896-L899 PolarHBondContact O-N 2.86Å; A896-A900 WeakPolarHBondContact O-CB 3.48Å; A896-A900 PolarHBondContact O-N 2.96Å
897D90.2Very high84.1Confident77 Ų7750.6 Ų50.641%0.41229%0.291SS..Hα-helixtrans-66.3-42.1178.9-66.8-10.9000111.6Q893 L894 K895 A900 A901Q893-D897 PolarHBondContact NE2-OD1 2.8Å; Q893-D897 VanDerWaalsContact O-CG 3.24Å; Q893-D897 PolarHBondContact O-N 3.15Å; L894-D897 PolarHBondContact O-N 3.41Å; K895-D897 VanDerWaalsContact C-N 3.35Å; D897-A900 PolarHBondContact O-N 3.34Å; D897-A901 WeakPolarHBondContact O-CB 3.48Å; D897-A901 PolarHBondContact O-N 2.7Å
898V96.5Very high86.3Confident0 Ų051.8 Ų51.80%030%0.295CS..Hα-helixtrans-66.7-39.9175.5177.20000111.4L894 K895 A901 N902 V918 A920 V929 M945L894-V898 WeakPolarHBondContact O-CG2 3.22Å; L894-V898 PolarHBondContact O-N 3.02Å; K895-V898 PolarHBondContact O-N 2.54Å; V898-A901 PolarHBondContact O-N 3.19Å; V898-N902 WeakPolarHBondContact CG1-ND2 3.3Å; V898-N902 PolarHBondContact O-N 2.63Å; V898-N902 PolarHBondContact O-ND2 3.49Å; V898-V918 WeakPolarHBondContact CG1-O 3.48Å; V898-A920 HydrophobicContact CG2-CB 3.59Å; V898-V929 HydrophobicContact CB-CB 4.46Å; V898-V929 HydrophobicContact CB-CG1 4.07Å; V898-V929 HydrophobicContact CG1-CG1 4.21Å; V898-V929 HydrophobicContact CG2-CB 3.88Å; V898-V929 HydrophobicContact CG2-CG1 4.05Å; V898-M945 HydrophobicContact CB-SD 4.38Å; V898-M945 HydrophobicContact CG1-SD 3.81Å
899L95.8Very high88.2Confident27 Ų2756.4 Ų56.414%0.14131%0.314CS..Hα-helixtrans-60.5-52.6173.3175.368.7000110.7K895 A896 A901 N902 L903 M940 A942 M945K895-L899 WeakPolarHBondContact O-CB 3.39Å; K895-L899 PolarHBondContact O-N 3.44Å; A896-L899 PolarHBondContact O-N 2.86Å; L899-A901 VanDerWaalsContact C-N 3.26Å; L899-A901 PolarHBondContact O-N 3.08Å; L899-N902 PolarHBondContact O-N 2.9Å; L899-N902 VanDerWaalsContact O-N 3.07Å; L899-L903 HydrophobicContact CD1-CD1 4.1Å; L899-L903 HydrophobicContact CD1-CG 4.11Å; L899-L903 HydrophobicContact CD2-CD1 4.47Å; L899-L903 HydrophobicContact CG-CD1 3.97Å; L899-L903 HydrophobicContact CG-CG 4.31Å; L899-L903 WeakPolarHBondContact O-CG 3.3Å; L899-L903 PolarHBondContact O-N 3.22Å; L899-M940 HydrophobicContact CD1-CB 4.2Å; L899-M940 HydrophobicContact CD1-CG 3.79Å; L899-M940 HydrophobicContact CD1-SD 4.06Å; L899-A942 HydrophobicContact CD2-CB 4.09Å; L899-M945 HydrophobicContact CD1-CE 4.2Å
900A94.8Very high90Very high57 Ų5751.7 Ų51.747%0.47129%0.292SS..Hα-helixtrans-57.2-41.6-179.100000111.6A896 D897 L903 A904A896-A900 WeakPolarHBondContact O-CB 3.48Å; A896-A900 PolarHBondContact O-N 2.96Å; D897-A900 PolarHBondContact O-N 3.34Å; A900-L903 PolarHBondContact O-N 2.92Å; A900-A904 PolarHBondContact O-N 3.38Å
901A97.2Very high91.6Very high5 Ų549.4 Ų49.44%0.04127%0.272CS..Hα-helixtrans-66.4-38.8176.400000112.8D897 V898 L899 A904 V918 A1069 V1073D897-A901 WeakPolarHBondContact O-CB 3.48Å; D897-A901 PolarHBondContact O-N 2.7Å; V898-A901 PolarHBondContact O-N 3.19Å; L899-A901 VanDerWaalsContact C-N 3.26Å; L899-A901 PolarHBondContact O-N 3.08Å; A901-A904 WeakPolarHBondContact O-CB 3.46Å; A901-A904 PolarHBondContact O-N 3.39Å; A901-V918 HydrophobicContact CB-CB 4.23Å; A901-V918 HydrophobicContact CB-CG1 3.77Å; A901-V918 HydrophobicContact CB-CG2 4.31Å; A901-A1069 HydrophobicContact CB-CB 3.58Å; A901-V1073 HydrophobicContact CB-CG2 3.83Å; A901-V1073 WeakPolarHBondContact O-CG2 3.15Å
902N97.2Very high92.3Very high0 Ų049.5 Ų49.50%028%0.28CS..Hα-helixtrans-64.3-43.4173.1-84.8-75.7000111.9V898 L899 A904 L905 P906 V918 K931 Y937 M940V898-N902 WeakPolarHBondContact CG1-ND2 3.3Å; V898-N902 PolarHBondContact O-N 2.63Å; V898-N902 PolarHBondContact O-ND2 3.49Å; L899-N902 PolarHBondContact O-N 2.9Å; L899-N902 VanDerWaalsContact O-N 3.07Å; N902-A904 PolarHBondContact O-N 2.63Å; N902-L905 WeakPolarHBondContact O-CB 3.29Å; N902-L905 PolarHBondContact O-N 2.81Å; N902-P906 VanDerWaalsContact O-CD 3.22Å; N902-P906 WeakPolarHBondContact O-CD 3.48Å; N902-V918 PolarHBondContact ND2-O 3.2Å; N902-V918 PolarHBondContact OD1-N 2.97Å; N902-K931 WeakPolarHBondContact OD1-CB 3.45Å; N902-K931 WeakPolarHBondContact OD1-CD 3.24Å; N902-Y937 HydrophobicContact CB-CD1 4.37Å; N902-Y937 HydrophobicContact CB-CE1 3.95Å; N902-Y937 VanDerWaalsContact O-CD1 3.31Å; N902-Y937 WeakPolarHBondContact O-CD1 3.33Å; N902-Y937 WeakPolarHBondContact O-CE1 3.24Å; N902-M940 HydrophobicContact CB-SD 4.16Å
903L95.4Very high92.9Very high69 Ų6950.1 Ų50.136%0.36128%0.281SS..Hα-helixtrans-67-23.8177.1-64.7-179.8000113L899 A900 L905 P906 Y937L899-L903 HydrophobicContact CD1-CD1 4.1Å; L899-L903 HydrophobicContact CD1-CG 4.11Å; L899-L903 HydrophobicContact CD2-CD1 4.47Å; L899-L903 HydrophobicContact CG-CD1 3.97Å; L899-L903 HydrophobicContact CG-CG 4.31Å; L899-L903 WeakPolarHBondContact O-CG 3.3Å; L899-L903 PolarHBondContact O-N 3.22Å; A900-L903 PolarHBondContact O-N 2.92Å; L903-L905 VanDerWaalsContact C-N 3.33Å; L903-P906 VanDerWaalsContact O-CD 3.29Å; L903-P906 WeakPolarHBondContact O-CD 3.36Å; L903-P906 WeakPolarHBondContact O-CG 3.46Å; L903-Y937 WeakPolarHBondContact CD2-O 3.28Å
904A95.8Very high93.1Very high25 Ų2547 Ų4721%0.20727%0.269CS..Hα-helixtrans-70.9-26.2173.900000113A900 A901 N902 A907 H908 V1073A900-A904 PolarHBondContact O-N 3.38Å; A901-A904 WeakPolarHBondContact O-CB 3.46Å; A901-A904 PolarHBondContact O-N 3.39Å; N902-A904 PolarHBondContact O-N 2.63Å; A904-A907 PolarHBondContact O-N 3.27Å; A904-H908 PolarHBondContact O-CD2 3.21Å; A904-H908 PolarHBondContact O-N 2.87Å; A904-V1073 HydrophobicContact CB-CG1 4.01Å
905L96.5Very high93Very high0 Ų052.5 Ų52.50%029%0.288CS..Hα-helixtrans-58.5-53.2179.1-60-174.6000113.3N902 L903 A907 H908 H909 L910 V911 V918 Y937 V983 V1073N902-L905 WeakPolarHBondContact O-CB 3.29Å; N902-L905 PolarHBondContact O-N 2.81Å; L903-L905 VanDerWaalsContact C-N 3.33Å; L905-A907 VanDerWaalsContact C-N 3.33Å; L905-H908 PolarHBondContact O-N 3.49Å; L905-H909 PolarHBondContact O-N 2.94Å; L905-L910 HydrophobicContact CD2-CB 4.44Å; L905-L910 HydrophobicContact CD2-CD1 3.9Å; L905-L910 PolarHBondContact O-N 2.99Å; L905-V911 HydrophobicContact CB-CG1 3.82Å; L905-V911 HydrophobicContact CB-CG2 3.97Å; L905-V911 HydrophobicContact CD1-CG1 3.94Å; L905-V911 HydrophobicContact CG-CG1 4.49Å; L905-V918 HydrophobicContact CD1-CG2 3.66Å; L905-V918 HydrophobicContact CD2-CG2 4.11Å; L905-V918 HydrophobicContact CG-CG2 3.91Å; L905-Y937 HydrophobicContact CD1-CE1 4.42Å; L905-Y937 WeakPolarHBondContact CD1-OH 3.33Å; L905-V983 HydrophobicContact CD1-CG1 4.44Å; L905-V983 HydrophobicContact CD2-CG1 3.73Å; L905-V1073 HydrophobicContact CD2-CG1 4.34Å; L905-V1073 HydrophobicContact CD2-CG2 4.07Å
906P93.6Very high93Very high50 Ų5052 Ų5233%0.32529%0.288SS..Hα-helixtrans-66.7-34.7175.825.8-34.5000112.1N902 L903 H908 H909 V911 Y937N902-P906 VanDerWaalsContact O-CD 3.22Å; N902-P906 WeakPolarHBondContact O-CD 3.48Å; L903-P906 VanDerWaalsContact O-CD 3.29Å; L903-P906 WeakPolarHBondContact O-CD 3.36Å; L903-P906 WeakPolarHBondContact O-CG 3.46Å; P906-H908 VanDerWaalsContact C-N 3.26Å; P906-H908 PolarHBondContact O-N 3.35Å; P906-H909 PolarHBondContact O-N 2.72Å; P906-V911 HydrophobicContact CB-CG2 3.96Å; P906-V911 HydrophobicContact CG-CG2 4.5Å; P906-Y937 HydrophobicContact CG-CD1 4.32Å; P906-Y937 HydrophobicContact CG-CG 4.08Å
907A92.3Very high93.4Very high69 Ų6950.2 Ų50.257%0.5727%0.273SS*.Hα-helixtrans-61.5-34.5177.400000112.7A904 L905A904-A907 PolarHBondContact O-N 3.27Å; L905-A907 VanDerWaalsContact C-N 3.33Å
908H95.3Very high93.8Very high104 Ų10446.6 Ų46.648%0.48125%0.253SS..THydrogen-bonded Turntrans-9210173.8-69-64.5000113.8A904 L905 P906 L910 V1077A904-H908 PolarHBondContact O-CD2 3.21Å; A904-H908 PolarHBondContact O-N 2.87Å; L905-H908 PolarHBondContact O-N 3.49Å; P906-H908 VanDerWaalsContact C-N 3.26Å; P906-H908 PolarHBondContact O-N 3.35Å; H908-L910 HydrophobicContact CB-CD1 4.38Å; H908-L910 HydrophobicContact CB-CG 4.13Å; H908-L910 PolarHBondContact O-N 3.37Å; H908-V1077 HydrophobicContact CB-CG2 3.78Å
909H94.3Very high93.9Very high161 Ų16146.6 Ų46.675%0.74525%0.253SS*.THydrogen-bonded Turntrans56.528.5-179.4-5087.4000114L905 P906L905-H909 PolarHBondContact O-N 2.94Å; P906-H909 PolarHBondContact O-N 2.72Å
910L95.7Very high94Very high3 Ų345.4 Ų45.42%0.01625%0.247CC..  trans-78.7-21.6179.3-69.2179000112.5L905 H908 T985 S987 A1076 V1077 E1080L905-L910 HydrophobicContact CD2-CB 4.44Å; L905-L910 HydrophobicContact CD2-CD1 3.9Å; L905-L910 PolarHBondContact O-N 2.99Å; H908-L910 HydrophobicContact CB-CD1 4.38Å; H908-L910 HydrophobicContact CB-CG 4.13Å; H908-L910 PolarHBondContact O-N 3.37Å; L910-T985 PolarHBondContact O-OG1 2.68Å; L910-S987 WeakPolarHBondContact O-CA 3.42Å; L910-S987 VanDerWaalsContact O-CB 3.27Å; L910-S987 WeakPolarHBondContact O-CB 3.3Å; L910-S987 PolarHBondContact O-N 3.37Å; L910-A1076 HydrophobicContact CD1-CB 3.9Å; L910-V1077 HydrophobicContact CD1-CG2 3.77Å; L910-V1077 HydrophobicContact CG-CG2 4.4Å; L910-E1080 HydrophobicContact CD2-CB 3.72Å; L910-E1080 HydrophobicContact CD2-CG 3.96Å
911V93.4Very high94Very high16 Ų1643.4 Ų43.410%0.09723%0.229CC..  trans-124.1156-174.7-64.90000111.9L905 P906 W915 Y937 T985L905-V911 HydrophobicContact CB-CG1 3.82Å; L905-V911 HydrophobicContact CB-CG2 3.97Å; L905-V911 HydrophobicContact CD1-CG1 3.94Å; L905-V911 HydrophobicContact CG-CG1 4.49Å; P906-V911 HydrophobicContact CB-CG2 3.96Å; P906-V911 HydrophobicContact CG-CG2 4.5Å; V911-W915 WeakPolarHBondContact CG1-O 3.47Å; V911-Y937 HydrophobicContact CB-CE2 4.23Å; V911-Y937 HydrophobicContact CG1-CE2 4.42Å; V911-Y937 HydrophobicContact CG2-CD2 4.24Å; V911-Y937 HydrophobicContact CG2-CE2 3.73Å; V911-T985 VanDerWaalsContact CG1-OG1 3.3Å; V911-T985 WeakPolarHBondContact CG1-OG1 3.31Å
912T86.8Confident93.7Very high66 Ų6644.7 Ų44.741%0.40524%0.235SC..SBendtrans-122.1128.5165.5-60.60000107.7T914 W915T912-T914 PolarHBondContact O-N 3.48Å; T912-W915 HydrophobicContact CG2-CZ3 4.36Å; T912-W915 WeakPolarHBondContact O-CB 3.42Å; T912-W915 PolarHBondContact O-N 3.33Å
913F88.8Confident92.9Very high141 Ų14152.8 Ų52.862%0.61828%0.279SS*.THydrogen-bonded Turntrans51-127.4-169.1-51.3-65.4000111.2W915 Y937F913-W915 HydrophobicContact CD2-CZ2 4.35Å; F913-Y937 VanDerWaalsContact O-CD2 3.29Å; F913-Y937 WeakPolarHBondContact O-CD2 3.36Å; F913-Y937 VanDerWaalsContact O-CE2 3.26Å; F913-Y937 WeakPolarHBondContact O-CE2 3.16Å
914T84.8Confident92.2Very high41 Ų4153.8 Ų53.825%0.25229%0.288SS..THydrogen-bonded Turntrans-91.98.7-177.156.50000114.7T912 G916 K931 E936T912-T914 PolarHBondContact O-N 3.48Å; T914-G916 VanDerWaalsContact C-N 3.25Å; T914-G916 PolarHBondContact O-N 2.86Å; T914-K931 PolarHBondContact O-NZ 3.5Å; T914-K931 VanDerWaalsContact O-NZ 3.15Å; T914-E936 HydrophobicContact CG2-CG 4.48Å; T914-E936 WeakPolarHBondContact CG2-OE1 3.34Å
915W88Confident91.8Very high136 Ų13655.7 Ų55.752%0.51529%0.29SS..  trans-75.260.8-168.7-56.8-10.7000115.4V911 T912 F913 T985 H986V911-W915 WeakPolarHBondContact CG1-O 3.47Å; T912-W915 HydrophobicContact CG2-CZ3 4.36Å; T912-W915 WeakPolarHBondContact O-CB 3.42Å; T912-W915 PolarHBondContact O-N 3.33Å; F913-W915 HydrophobicContact CD2-CZ2 4.35Å; W915-T985 PolarHBondContact O-OG1 3.27Å; W915-H986 HydrophobicContact CB-CB 4.33Å; W915-H986 HydrophobicContact CE3-CB 4.49Å; W915-H986 PolarHBondContact O-N 3.21Å
916G92.4Very high91.3Very high5 Ų559.8 Ų59.85%0.05231%0.309CS..EExtended strand (participates in β ladder)trans174171.9172.300000111.2T914 K931 Y937 H984T914-G916 VanDerWaalsContact C-N 3.25Å; T914-G916 PolarHBondContact O-N 2.86Å; G916-K931 WeakPolarHBondContact O-CD 3.12Å; G916-K931 PolarHBondContact O-NZ 3.19Å; G916-Y937 PolarHBondContact O-OH 3.27Å; G916-H984 CarbonylContact C-O 3.56Å; G916-H984 WeakPolarHBondContact CA-O 3.32Å
917N96.6Very high91.2Very high3 Ų361.2 Ų61.22%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-160153.9174.750.478.3000110.6K931 S963 D965 H969 V983 H984N917-K931 HydrophobicContact CB-CB 3.84Å; N917-K931 HydrophobicContact CB-CD 3.89Å; N917-K931 HydrophobicContact CB-CG 4.49Å; N917-S963 PolarHBondContact ND2-OG 2.85Å; N917-D965 PolarHBondContact ND2-OD2 2.9Å; N917-H969 PolarHBondContact OD1-CE1 3.33Å; N917-H969 PolarHBondContact OD1-NE2 2.93Å; N917-V983 WeakPolarHBondContact O-CA 3.47Å; N917-H984 PolarHBondContact N-O 3.29Å; N917-H984 PolarHBondContact O-N 3.06Å
918V98.1Very high91.4Very high0 Ų058 Ų580%028%0.281CS..EExtended strand (participates in β ladder)trans-120.9142.6169.8-167.40000109.4V898 A901 N902 L905 K931 I982 V983 A1069 V1073V898-V918 WeakPolarHBondContact CG1-O 3.48Å; A901-V918 HydrophobicContact CB-CB 4.23Å; A901-V918 HydrophobicContact CB-CG1 3.77Å; A901-V918 HydrophobicContact CB-CG2 4.31Å; N902-V918 PolarHBondContact ND2-O 3.2Å; N902-V918 PolarHBondContact OD1-N 2.97Å; L905-V918 HydrophobicContact CD1-CG2 3.66Å; L905-V918 HydrophobicContact CD2-CG2 4.11Å; L905-V918 HydrophobicContact CG-CG2 3.91Å; V918-K931 PolarHBondContact O-N 2.76Å; V918-I982 VanDerWaalsContact CA-O 3.31Å; V918-I982 WeakPolarHBondContact CA-O 3.23Å; V918-I982 WeakPolarHBondContact CG1-O 3.33Å; V918-V983 HydrophobicContact CB-CG2 4.38Å; V918-V983 HydrophobicContact CG1-CG2 3.88Å; V918-V983 HydrophobicContact CG2-CG1 4.46Å; V918-V983 HydrophobicContact CG2-CG2 3.85Å; V918-A1069 HydrophobicContact CG1-CB 4.1Å; V918-V1073 HydrophobicContact CG2-CG2 4.12Å
919S98.3Very high91.5Very high0 Ų053 Ų530%026%0.258CS..EExtended strand (participates in β ladder)trans-128.8161166.168.60000111.8V929 H969 Y973 G981 I982S919-V929 CarbonylContact C-O 3.49Å; S919-V929 WeakPolarHBondContact CA-O 3.21Å; S919-V929 VanDerWaalsContact CB-O 3.25Å; S919-V929 WeakPolarHBondContact CB-O 3.42Å; S919-H969 PolarHBondContact OG-ND1 3.35Å; S919-Y973 VanDerWaalsContact C-OH 3.31Å; S919-Y973 PolarHBondContact O-OH 2.95Å; S919-Y973 VanDerWaalsContact OG-CE2 3.26Å; S919-Y973 WeakPolarHBondContact OG-CE2 3.46Å; S919-Y973 PolarHBondContact OG-OH 3.17Å; S919-G981 WeakPolarHBondContact O-CA 3.27Å; S919-I982 PolarHBondContact N-O 2.91Å; S919-I982 PolarHBondContact O-N 3.23Å
920A97.8Very high91.7Very high3 Ų345.3 Ų45.33%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-143.5158.7167.100000111.2L894 V898 M928 V929 Y973 G980 A1069L894-A920 HydrophobicContact CD1-CB 3.75Å; V898-A920 HydrophobicContact CG2-CB 3.59Å; A920-M928 CarbonylContact O-C 3.47Å; A920-M928 WeakPolarHBondContact O-CA 3.29Å; A920-V929 PolarHBondContact N-O 2.89Å; A920-V929 PolarHBondContact O-N 3.29Å; A920-Y973 WeakPolarHBondContact CA-OH 3.33Å; A920-Y973 PolarHBondContact N-OH 2.93Å; A920-G980 VanDerWaalsContact CA-O 3.26Å; A920-G980 WeakPolarHBondContact CA-O 3.5Å; A920-A1069 HydrophobicContact CB-CB 3.97Å
921V96.3Very high91.6Very high14 Ų1445.4 Ų45.49%0.08522%0.222CC..EExtended strand (participates in β ladder)trans-110.5152.6176-61.30000110.7R925 W927 M928 I950 Y973 G980V921-R925 HydrophobicContact CG2-CG 4.46Å; V921-W927 WeakPolarHBondContact CA-O 3.26Å; V921-M928 HydrophobicContact CG1-CB 4.13Å; V921-M928 HydrophobicContact CG1-CG 4.35Å; V921-I950 HydrophobicContact CB-CD1 3.93Å; V921-I950 HydrophobicContact CG1-CD1 3.36Å; V921-I950 HydrophobicContact CG1-CG1 4.44Å; V921-Y973 HydrophobicContact CB-CD1 4.46Å; V921-Y973 HydrophobicContact CB-CE1 4.31Å; V921-Y973 HydrophobicContact CG1-CD1 3.47Å; V921-Y973 VanDerWaalsContact CG1-CD1 3.47Å; V921-Y973 HydrophobicContact CG1-CD2 3.74Å; V921-Y973 HydrophobicContact CG1-CE1 3.45Å; V921-Y973 VanDerWaalsContact CG1-CE1 3.45Å; V921-Y973 HydrophobicContact CG1-CE2 3.74Å; V921-Y973 HydrophobicContact CG1-CG 3.61Å; V921-Y973 HydrophobicContact CG2-CD1 4.1Å; V921-Y973 HydrophobicContact CG2-CE1 3.92Å; V921-G980 PolarHBondContact N-O 2.86Å
922D90.2Very high91.7Very high32 Ų3244.7 Ų44.717%0.17122%0.218CC..  trans-76164.7172.676.1-49.2000111.8L894 T924 R925 Q926 W927L894-D922 HydrophobicContact CD2-CB 3.77Å; D922-T924 PolarHBondContact O-N 3.25Å; D922-T924 WeakPolarHBondContact OD2-CB 2.98Å; D922-T924 PolarHBondContact OD2-N 3.32Å; D922-T924 PolarHBondContact OD2-OG1 2.85Å; D922-R925 WeakPolarHBondContact O-CA 3.39Å; D922-R925 PolarHBondContact O-N 3.03Å; D922-R925 WeakPolarHBondContact OD1-CA 3.2Å; D922-R925 PolarHBondContact OD1-N 3.12Å; D922-Q926 PolarHBondContact OD1-N 3.5Å; D922-W927 PolarHBondContact N-O 2.86Å; D922-W927 VanDerWaalsContact N-O 3.09Å; D922-W927 PolarHBondContact OD1-N 3.12Å; D922-W927 VanDerWaalsContact OD1-O 3.14Å
923D80.7Confident91.8Very high171 Ų17144.6 Ų44.691%0.91422%0.22SC*.THydrogen-bonded Turntrans-60.3-29.2-178.9-66.1-27.2000112.4R925D923-R925 PolarHBondContact O-N 2.99Å
924T81.5Confident91.6Very high89 Ų8940.9 Ų40.955%0.54622%0.222SC..THydrogen-bonded Turntrans-78.4-10.2176.182.50000113.3D922 Q926D922-T924 PolarHBondContact O-N 3.25Å; D922-T924 WeakPolarHBondContact OD2-CB 2.98Å; D922-T924 PolarHBondContact OD2-N 3.32Å; D922-T924 PolarHBondContact OD2-OG1 2.85Å; T924-Q926 PolarHBondContact O-N 3.3Å; T924-Q926 WeakPolarHBondContact OG1-CG 3.29Å
925R86.5Confident91.6Very high66 Ų6639.9 Ų39.925%0.24922%0.215CC..SBendtrans50.235.8-175.6-55-178.467.383.9-3.1112.8V921 D922 D923 I950 Y973 Y976 A977 I979V921-R925 HydrophobicContact CG2-CG 4.46Å; D922-R925 WeakPolarHBondContact O-CA 3.39Å; D922-R925 PolarHBondContact O-N 3.03Å; D922-R925 WeakPolarHBondContact OD1-CA 3.2Å; D922-R925 PolarHBondContact OD1-N 3.12Å; D923-R925 PolarHBondContact O-N 2.99Å; R925-I950 WeakPolarHBondContact O-CD1 3.27Å; R925-Y973 PolarHBondContact NH2-O 3.3Å; R925-Y976 PolarHBondContact NH2-O 3.45Å; R925-A977 VanDerWaalsContact CZ-O 3.27Å; R925-A977 PolarHBondContact NH1-O 3.06Å; R925-I979 PolarHBondContact NH1-O 3.16Å; R925-I979 PolarHBondContact NH2-O 3.22Å
926Q85.3Confident91.6Very high85 Ų8537.4 Ų37.440%0.39721%0.209SC..SBendtrans-94-33.8171.8-66.5-54.4-49.900110.9D922 T924 I950D922-Q926 PolarHBondContact OD1-N 3.5Å; T924-Q926 PolarHBondContact O-N 3.3Å; T924-Q926 WeakPolarHBondContact OG1-CG 3.29Å; Q926-I950 PolarHBondContact O-N 3.3Å
927W92.7Very high91.4Very high81 Ų8137.8 Ų37.831%0.30721%0.21SC..EExtended strand (participates in β ladder)trans-120.7131-170.5-48.8112.6000110.5V921 D922 V947 E949 V956V921-W927 WeakPolarHBondContact CA-O 3.26Å; D922-W927 PolarHBondContact N-O 2.86Å; D922-W927 VanDerWaalsContact N-O 3.09Å; D922-W927 PolarHBondContact OD1-N 3.12Å; D922-W927 VanDerWaalsContact OD1-O 3.14Å; W927-V947 HydrophobicContact CB-CG1 3.98Å; W927-V947 HydrophobicContact CE3-CG1 4.37Å; W927-V947 HydrophobicContact CG-CG1 4.43Å; W927-E949 HydrophobicContact CE3-CB 4.15Å; W927-E949 HydrophobicContact CE3-CG 4.37Å; W927-E949 HydrophobicContact CH2-CG 4.45Å; W927-E949 HydrophobicContact CZ3-CB 3.71Å; W927-E949 HydrophobicContact CZ3-CG 3.78Å; W927-V956 HydrophobicContact CE3-CG2 3.84Å; W927-V956 HydrophobicContact CZ3-CB 4.37Å; W927-V956 HydrophobicContact CZ3-CG1 4Å; W927-V956 HydrophobicContact CZ3-CG2 3.7Å
928M96.1Very high90.8Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-106.4131166178-177.770.600108.2A920 V921 I930 V947 V948 I950 T966 H969 L970 Y973A920-M928 CarbonylContact O-C 3.47Å; A920-M928 WeakPolarHBondContact O-CA 3.29Å; V921-M928 HydrophobicContact CG1-CB 4.13Å; V921-M928 HydrophobicContact CG1-CG 4.35Å; M928-I930 HydrophobicContact CE-CB 4.3Å; M928-I930 HydrophobicContact CE-CD1 4.24Å; M928-I930 HydrophobicContact CE-CG2 4.24Å; M928-V947 CarbonylContact O-C 3.5Å; M928-V947 WeakPolarHBondContact O-CA 3.41Å; M928-V948 HydrophobicContact CE-CB 4Å; M928-V948 HydrophobicContact CE-CG1 4.26Å; M928-V948 HydrophobicContact CE-CG2 4.31Å; M928-V948 PolarHBondContact N-O 3.03Å; M928-V948 PolarHBondContact O-N 3.12Å; M928-I950 HydrophobicContact CB-CD1 4.27Å; M928-I950 HydrophobicContact CB-CG1 3.85Å; M928-T966 HydrophobicContact CE-CG2 3.71Å; M928-H969 HydrophobicContact SD-CB 3.85Å; M928-L970 HydrophobicContact CE-CD2 3.82Å; M928-L970 HydrophobicContact CE-CG 3.9Å; M928-L970 HydrophobicContact SD-CD2 4.25Å; M928-Y973 HydrophobicContact CG-CD2 4.3Å; M928-Y973 HydrophobicContact CG-CE2 3.91Å; M928-Y973 HydrophobicContact SD-CD2 3.62Å; M928-Y973 HydrophobicContact SD-CE2 3.47Å; M928-Y973 WeakPolarHBondContact SD-CE2 3.27Å
929V97.1Very high90.3Very high0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-100.8131.2166.7-176.80000108.9L894 K895 V898 S919 A920 M945 V946 V947L894-V929 HydrophobicContact CD2-CG2 3.81Å; L894-V929 HydrophobicContact CG-CB 4.36Å; L894-V929 HydrophobicContact CG-CG2 3.93Å; K895-V929 HydrophobicContact CG-CG1 3.96Å; K895-V929 HydrophobicContact CG-CG2 4.29Å; V898-V929 HydrophobicContact CB-CB 4.46Å; V898-V929 HydrophobicContact CB-CG1 4.07Å; V898-V929 HydrophobicContact CG1-CG1 4.21Å; V898-V929 HydrophobicContact CG2-CB 3.88Å; V898-V929 HydrophobicContact CG2-CG1 4.05Å; S919-V929 CarbonylContact C-O 3.49Å; S919-V929 WeakPolarHBondContact CA-O 3.21Å; S919-V929 VanDerWaalsContact CB-O 3.25Å; S919-V929 WeakPolarHBondContact CB-O 3.42Å; A920-V929 PolarHBondContact N-O 2.89Å; A920-V929 PolarHBondContact O-N 3.29Å; V929-M945 HydrophobicContact CG1-CB 3.63Å; V929-M945 HydrophobicContact CG1-CG 4.21Å; V929-V946 WeakPolarHBondContact CA-O 3.21Å; V929-V947 HydrophobicContact CG2-CG1 4.48Å; V929-V947 HydrophobicContact CG2-CG2 4.04Å
930I97.6Very high89.9Confident0 Ų049.5 Ų49.50%028%0.275CS..EExtended strand (participates in β ladder)trans-138152.1-177.3-167.9162.4000111.8M928 V946 V948 P962 H969M928-I930 HydrophobicContact CE-CB 4.3Å; M928-I930 HydrophobicContact CE-CD1 4.24Å; M928-I930 HydrophobicContact CE-CG2 4.24Å; I930-V946 HydrophobicContact CG2-CB 4.45Å; I930-V946 PolarHBondContact N-O 2.85Å; I930-V946 PolarHBondContact O-N 2.9Å; I930-V948 HydrophobicContact CG2-CG2 4.11Å; I930-P962 HydrophobicContact CG2-CB 3.86Å; I930-H969 HydrophobicContact CD1-CB 4.46Å
931K95.5Very high89.6Confident5 Ų552.4 Ų52.42%0.02229%0.292CS..PPolyproline II helixtrans-51.6139.4171.7-170.6-169.8159.8178.80111.7N902 T914 G916 N917 V918 Y937 M940 S963N902-K931 WeakPolarHBondContact OD1-CB 3.45Å; N902-K931 WeakPolarHBondContact OD1-CD 3.24Å; T914-K931 PolarHBondContact O-NZ 3.5Å; T914-K931 VanDerWaalsContact O-NZ 3.15Å; G916-K931 WeakPolarHBondContact O-CD 3.12Å; G916-K931 PolarHBondContact O-NZ 3.19Å; N917-K931 HydrophobicContact CB-CB 3.84Å; N917-K931 HydrophobicContact CB-CD 3.89Å; N917-K931 HydrophobicContact CB-CG 4.49Å; V918-K931 PolarHBondContact O-N 2.76Å; K931-Y937 HydrophobicContact CD-CE1 4.2Å; K931-Y937 VanDerWaalsContact NZ-CE2 3.34Å; K931-Y937 PolarHBondContact NZ-OH 3.34Å; K931-M940 HydrophobicContact CD-CE 3.9Å; K931-M940 VanDerWaalsContact CE-CE 3.43Å; K931-M940 HydrophobicContact CG-CE 3.75Å; K931-M940 HydrophobicContact CG-SD 4.02Å; K931-S963 WeakPolarHBondContact O-CB 3.28Å; K931-S963 PolarHBondContact O-N 2.94Å
932P94.2Very high89.1Confident1 Ų153.3 Ų53.31%0.00630%0.302CS..BIsolated β-bridgetrans-70.8153.1170.232.7-39.5000112.4V935 D944 M945 V946 K960 K961P932-V935 HydrophobicContact CB-CG2 3.93Å; P932-V935 HydrophobicContact CG-CB 3.91Å; P932-V935 HydrophobicContact CG-CG2 3.61Å; P932-D944 WeakPolarHBondContact CB-O 3.39Å; P932-D944 HydrophobicContact CG-CB 4.03Å; P932-D944 WeakPolarHBondContact CG-O 3.41Å; P932-M945 VanDerWaalsContact CD-CE 3.46Å; P932-M945 HydrophobicContact CG-CE 4.39Å; P932-V946 HydrophobicContact CB-CG2 4.22Å; P932-K960 HydrophobicContact CB-CB 3.7Å; P932-K960 HydrophobicContact CB-CG 4.23Å; P932-K961 CarbonylContact C-O 3.55Å; P932-K961 WeakPolarHBondContact CA-O 3.43Å
933S90.2Very high88.9Confident64 Ų6457.8 Ų57.845%0.44833%0.325SS..THydrogen-bonded Turntrans-74.6133.3175.4-179.80000111.6V935 K961 P962S933-V935 VanDerWaalsContact C-N 3.35Å; S933-V935 PolarHBondContact O-N 3.08Å; S933-K961 PolarHBondContact N-O 3.46Å; S933-P962 WeakPolarHBondContact CB-O 3.1Å
934G82.8Confident89.4Confident63 Ų6350.9 Ų50.965%0.64929%0.289SS*.THydrogen-bonded Turntrans76.410.7169.200000116.4
935V86.7Confident90Very high20 Ų2046.6 Ų46.612%0.12126%0.263CS..  trans-93.8129.4175.9-176.40000109.7P932 S933 V939 M940P932-V935 HydrophobicContact CB-CG2 3.93Å; P932-V935 HydrophobicContact CG-CB 3.91Å; P932-V935 HydrophobicContact CG-CG2 3.61Å; S933-V935 VanDerWaalsContact C-N 3.35Å; S933-V935 PolarHBondContact O-N 3.08Å; V935-V939 HydrophobicContact CG1-CG2 4.34Å; V935-M940 HydrophobicContact CG1-CB 4.2Å; V935-M940 HydrophobicContact CG1-CG 4.31Å
936E87Confident90.4Very high83 Ų8343.5 Ų43.539%0.38825%0.251SS..  trans-67.9145.7174.8-66.2-62.9156.500111T914 D938 V939 M940T914-E936 HydrophobicContact CG2-CG 4.48Å; T914-E936 WeakPolarHBondContact CG2-OE1 3.34Å; E936-D938 VanDerWaalsContact C-N 3.31Å; E936-D938 WeakPolarHBondContact CB-OD1 3.43Å; E936-D938 PolarHBondContact O-N 2.97Å; E936-V939 HydrophobicContact CB-CG2 4.22Å; E936-M940 PolarHBondContact O-N 2.94Å
937Y87.4Confident90.8Very high14 Ų1439.5 Ų39.56%0.05523%0.232CC..THydrogen-bonded Turntrans-67.8-28.2-173.9-75-82.4000113.8N902 L903 L905 P906 V911 F913 G916 K931 M940N902-Y937 HydrophobicContact CB-CD1 4.37Å; N902-Y937 HydrophobicContact CB-CE1 3.95Å; N902-Y937 VanDerWaalsContact O-CD1 3.31Å; N902-Y937 WeakPolarHBondContact O-CD1 3.33Å; N902-Y937 WeakPolarHBondContact O-CE1 3.24Å; L903-Y937 WeakPolarHBondContact CD2-O 3.28Å; L905-Y937 HydrophobicContact CD1-CE1 4.42Å; L905-Y937 WeakPolarHBondContact CD1-OH 3.33Å; P906-Y937 HydrophobicContact CG-CD1 4.32Å; P906-Y937 HydrophobicContact CG-CG 4.08Å; V911-Y937 HydrophobicContact CB-CE2 4.23Å; V911-Y937 HydrophobicContact CG1-CE2 4.42Å; V911-Y937 HydrophobicContact CG2-CD2 4.24Å; V911-Y937 HydrophobicContact CG2-CE2 3.73Å; F913-Y937 VanDerWaalsContact O-CD2 3.29Å; F913-Y937 WeakPolarHBondContact O-CD2 3.36Å; F913-Y937 VanDerWaalsContact O-CE2 3.26Å; F913-Y937 WeakPolarHBondContact O-CE2 3.16Å; G916-Y937 PolarHBondContact O-OH 3.27Å; K931-Y937 HydrophobicContact CD-CE1 4.2Å; K931-Y937 VanDerWaalsContact NZ-CE2 3.34Å; K931-Y937 PolarHBondContact NZ-OH 3.34Å; Y937-M940 HydrophobicContact CD1-CE 3.79Å; Y937-M940 HydrophobicContact CE1-CE 4.16Å; Y937-M940 HydrophobicContact CG-CE 4.3Å
938D84.2Confident90.9Very high140 Ų14035.6 Ų35.675%0.74922%0.217SC*.THydrogen-bonded Turntrans-74-23-176.457-12.4000114.2E936E936-D938 VanDerWaalsContact C-N 3.31Å; E936-D938 WeakPolarHBondContact CB-OD1 3.43Å; E936-D938 PolarHBondContact O-N 2.97Å
939V88.1Confident90.8Very high96 Ų9638.3 Ų38.358%0.58223%0.23SC*.SBendtrans-109.2-0.2179.3-60.70000113.8V935 E936V935-V939 HydrophobicContact CG1-CG2 4.34Å; E936-V939 HydrophobicContact CB-CG2 4.22Å
940M90.3Very high90.5Very high12 Ų1238.9 Ų38.96%0.05923%0.233CC..  trans-72.9134.3-173.9-168.2-175.4-57.200112.3L899 N902 K931 V935 E936 Y937 M945L899-M940 HydrophobicContact CD1-CB 4.2Å; L899-M940 HydrophobicContact CD1-CG 3.79Å; L899-M940 HydrophobicContact CD1-SD 4.06Å; N902-M940 HydrophobicContact CB-SD 4.16Å; K931-M940 HydrophobicContact CD-CE 3.9Å; K931-M940 VanDerWaalsContact CE-CE 3.43Å; K931-M940 HydrophobicContact CG-CE 3.75Å; K931-M940 HydrophobicContact CG-SD 4.02Å; V935-M940 HydrophobicContact CG1-CB 4.2Å; V935-M940 HydrophobicContact CG1-CG 4.31Å; E936-M940 PolarHBondContact O-N 2.94Å; Y937-M940 HydrophobicContact CD1-CE 3.79Å; Y937-M940 HydrophobicContact CE1-CE 4.16Å; Y937-M940 HydrophobicContact CG-CE 4.3Å; M940-M945 HydrophobicContact CG-CE 3.66Å; M940-M945 HydrophobicContact SD-CE 3.44Å; M940-M945 WeakPolarHBondContact SD-CE 3.44Å
941T90.9Very high90Very high64 Ų6442.4 Ų42.439%0.39326%0.262SS..  trans-121.1171.3178.971.50000112.3D943 D944T941-D943 PolarHBondContact O-N 3.06Å; T941-D944 PolarHBondContact N-OD2 3.47Å; T941-D944 PolarHBondContact O-N 3.36Å; T941-D944 PolarHBondContact OG1-OD2 3.31Å
942A85.8Confident89.6Confident34 Ų3445.4 Ų45.428%0.28128%0.283SS..G310 helixtrans-66.7-29.1178.600000111.9L899 D944 M945L899-A942 HydrophobicContact CD2-CB 4.09Å; A942-D944 VanDerWaalsContact C-N 3.27Å; A942-D944 PolarHBondContact O-N 3.37Å; A942-M945 WeakPolarHBondContact O-CB 3.34Å; A942-M945 WeakPolarHBondContact O-CG 3.49Å; A942-M945 PolarHBondContact O-N 3.39Å
943D86.5Confident89.3Confident125 Ų12546.6 Ų46.667%0.66830%0.296SS*.G310 helixtrans-73.1-21.6178.6-69.7-27.2000112.6T941 M945T941-D943 PolarHBondContact O-N 3.06Å; D943-M945 VanDerWaalsContact C-N 3.27Å; D943-M945 PolarHBondContact O-N 3.32Å
944D91Very high89.2Confident26 Ų2650.5 Ų50.514%0.13931%0.305CS..G310 helixtrans-75.5-15.1173.8-62.1-64.8000113P932 T941 A942 K960P932-D944 WeakPolarHBondContact CB-O 3.39Å; P932-D944 HydrophobicContact CG-CB 4.03Å; P932-D944 WeakPolarHBondContact CG-O 3.41Å; T941-D944 PolarHBondContact N-OD2 3.47Å; T941-D944 PolarHBondContact O-N 3.36Å; T941-D944 PolarHBondContact OG1-OD2 3.31Å; A942-D944 VanDerWaalsContact C-N 3.27Å; A942-D944 PolarHBondContact O-N 3.37Å; D944-K960 WeakPolarHBondContact OD1-CE 3.39Å
945M93.8Very high89.5Confident0 Ų049.7 Ų49.70%029%0.292CS..PPolyproline II helixtrans-66135.1180-65.2-60.3102.300111.3K895 V898 L899 V929 P932 M940 A942 D943K895-M945 HydrophobicContact CB-CB 4.43Å; K895-M945 HydrophobicContact CB-CG 4.5Å; K895-M945 HydrophobicContact CG-CB 4.11Å; V898-M945 HydrophobicContact CB-SD 4.38Å; V898-M945 HydrophobicContact CG1-SD 3.81Å; L899-M945 HydrophobicContact CD1-CE 4.2Å; V929-M945 HydrophobicContact CG1-CB 3.63Å; V929-M945 HydrophobicContact CG1-CG 4.21Å; P932-M945 VanDerWaalsContact CD-CE 3.46Å; P932-M945 HydrophobicContact CG-CE 4.39Å; M940-M945 HydrophobicContact CG-CE 3.66Å; M940-M945 HydrophobicContact SD-CE 3.44Å; M940-M945 WeakPolarHBondContact SD-CE 3.44Å; A942-M945 WeakPolarHBondContact O-CB 3.34Å; A942-M945 WeakPolarHBondContact O-CG 3.49Å; A942-M945 PolarHBondContact O-N 3.39Å; D943-M945 VanDerWaalsContact C-N 3.27Å; D943-M945 PolarHBondContact O-N 3.32Å
946V95.3Very high89.4Confident0 Ų052.4 Ų52.40%031%0.309CS..EExtended strand (participates in β ladder)trans-100.1126.4-177.3-171.90000109.5V929 I930 P932 V948 A955 K960 P962V929-V946 WeakPolarHBondContact CA-O 3.21Å; I930-V946 HydrophobicContact CG2-CB 4.45Å; I930-V946 PolarHBondContact N-O 2.85Å; I930-V946 PolarHBondContact O-N 2.9Å; P932-V946 HydrophobicContact CB-CG2 4.22Å; V946-V948 HydrophobicContact CG1-CG2 4.14Å; V946-A955 HydrophobicContact CG1-CB 3.84Å; V946-K960 HydrophobicContact CG2-CB 4.35Å; V946-K960 WeakPolarHBondContact CG2-O 3.4Å; V946-P962 HydrophobicContact CB-CB 4Å; V946-P962 HydrophobicContact CG1-CB 3.84Å; V946-P962 HydrophobicContact CG1-CG 4.32Å; V946-P962 HydrophobicContact CG2-CB 4.32Å
947V94.3Very high89.2Confident1 Ų151.6 Ų51.61%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-93.5124.4174.2-170.90000108.3K895 W927 M928 V929 A955 V956 E957K895-V947 VanDerWaalsContact CE-CG2 3.49Å; W927-V947 HydrophobicContact CB-CG1 3.98Å; W927-V947 HydrophobicContact CE3-CG1 4.37Å; W927-V947 HydrophobicContact CG-CG1 4.43Å; M928-V947 CarbonylContact O-C 3.5Å; M928-V947 WeakPolarHBondContact O-CA 3.41Å; V929-V947 HydrophobicContact CG2-CG1 4.48Å; V929-V947 HydrophobicContact CG2-CG2 4.04Å; V947-A955 CarbonylContact O-C 3.58Å; V947-A955 WeakPolarHBondContact O-CA 3.5Å; V947-V956 HydrophobicContact CB-CG2 4.06Å; V947-V956 HydrophobicContact CG1-CG2 3.83Å; V947-V956 WeakPolarHBondContact O-CG2 3.18Å; V947-V956 PolarHBondContact O-N 2.99Å; V947-E957 HydrophobicContact CB-CB 3.68Å; V947-E957 HydrophobicContact CG2-CB 3.71Å; V947-E957 HydrophobicContact CG2-CG 4.41Å; V947-E957 PolarHBondContact N-O 3.03Å; V947-E957 PolarHBondContact O-N 2.98Å
948V94.3Very high88.8Confident0 Ų052.8 Ų52.80%032%0.321CS..EExtended strand (participates in β ladder)trans-120131-176.8-177.80000108.6M928 I930 V946 I950 G953 K954 P962 T966 L970M928-V948 HydrophobicContact CE-CB 4Å; M928-V948 HydrophobicContact CE-CG1 4.26Å; M928-V948 HydrophobicContact CE-CG2 4.31Å; M928-V948 PolarHBondContact N-O 3.03Å; M928-V948 PolarHBondContact O-N 3.12Å; I930-V948 HydrophobicContact CG2-CG2 4.11Å; V946-V948 HydrophobicContact CG1-CG2 4.14Å; V948-I950 PolarHBondContact O-N 3.25Å; V948-G953 VanDerWaalsContact CG1-C 3.49Å; V948-G953 WeakPolarHBondContact CG1-O 3.1Å; V948-K954 WeakPolarHBondContact CA-O 3.29Å; V948-P962 HydrophobicContact CG2-CB 4.2Å; V948-T966 HydrophobicContact CG1-CG2 4.25Å; V948-T966 HydrophobicContact CG2-CG2 4.31Å; V948-L970 HydrophobicContact CG1-CD1 4.32Å; V948-L970 HydrophobicContact CG1-CD2 4.4Å
949E93.6Very high88.6Confident57 Ų5751.3 Ų51.327%0.26632%0.322SS..EExtended strand (participates in β ladder)trans-68.9122.8171.7-171.4-177.6-152.900109.8W927 A951 S952 G953 K954 V956W927-E949 HydrophobicContact CE3-CB 4.15Å; W927-E949 HydrophobicContact CE3-CG 4.37Å; W927-E949 HydrophobicContact CH2-CG 4.45Å; W927-E949 HydrophobicContact CZ3-CB 3.71Å; W927-E949 HydrophobicContact CZ3-CG 3.78Å; E949-A951 VanDerWaalsContact C-N 3.3Å; E949-A951 HydrophobicContact CG-CB 4.46Å; E949-A951 PolarHBondContact O-N 2.72Å; E949-S952 WeakPolarHBondContact OE2-CB 3.26Å; E949-S952 PolarHBondContact OE2-OG 3.17Å; E949-G953 VanDerWaalsContact O-CA 3.27Å; E949-G953 WeakPolarHBondContact O-CA 3.42Å; E949-G953 PolarHBondContact O-N 3.44Å; E949-K954 PolarHBondContact N-O 2.94Å; E949-V956 HydrophobicContact CB-CG1 4.2Å
950I91.5Very high88.5Confident12 Ų1251.4 Ų51.46%0.06232%0.315CS..THydrogen-bonded Turntrans-64.2-37.7-175.5-64-179.2000111.1V921 R925 Q926 M928 V948 L970 R974V921-I950 HydrophobicContact CB-CD1 3.93Å; V921-I950 HydrophobicContact CG1-CD1 3.36Å; V921-I950 HydrophobicContact CG1-CG1 4.44Å; R925-I950 WeakPolarHBondContact O-CD1 3.27Å; Q926-I950 PolarHBondContact O-N 3.3Å; M928-I950 HydrophobicContact CB-CD1 4.27Å; M928-I950 HydrophobicContact CB-CG1 3.85Å; V948-I950 PolarHBondContact O-N 3.25Å; I950-L970 HydrophobicContact CB-CD2 4.41Å; I950-L970 HydrophobicContact CG1-CD2 4.45Å; I950-L970 HydrophobicContact CG2-CD2 4.38Å; I950-R974 HydrophobicContact CG2-CG 3.95Å; I950-R974 PolarHBondContact O-NE 2.95Å; I950-R974 PolarHBondContact O-NH2 3.4Å
951A86.6Confident88.6Confident74 Ų7458.8 Ų58.861%0.61235%0.347SS*.THydrogen-bonded Turntrans-66.2-48.9-177.300000112.5E949 R974E949-A951 VanDerWaalsContact C-N 3.3Å; E949-A951 HydrophobicContact CG-CB 4.46Å; E949-A951 PolarHBondContact O-N 2.72Å; A951-R974 PolarHBondContact O-NH2 3.39Å
952S86.9Confident88.7Confident67 Ų6757.5 Ų57.547%0.46934%0.34SS..THydrogen-bonded Turntrans-94.6-24.7-174.971.60000114.1E949 K954E949-S952 WeakPolarHBondContact OE2-CB 3.26Å; E949-S952 PolarHBondContact OE2-OG 3.17Å; S952-K954 VanDerWaalsContact OG-CB 3.23Å; S952-K954 WeakPolarHBondContact OG-CB 3.26Å; S952-K954 PolarHBondContact OG-N 3.45Å
953G88.7Confident89.1Confident27 Ų2756.4 Ų56.428%0.27833%0.329SS..  trans76.18.2-168.700000114.1V948 E949V948-G953 VanDerWaalsContact CG1-C 3.49Å; V948-G953 WeakPolarHBondContact CG1-O 3.1Å; E949-G953 VanDerWaalsContact O-CA 3.27Å; E949-G953 WeakPolarHBondContact O-CA 3.42Å; E949-G953 PolarHBondContact O-N 3.44Å
954K88.1Confident89.4Confident146 Ų14653.7 Ų53.764%0.63532%0.321SS*.  trans-79.2132.9179.6-170.5-178174.3-1720110.7V948 E949 S952 V956V948-K954 WeakPolarHBondContact CA-O 3.29Å; E949-K954 PolarHBondContact N-O 2.94Å; S952-K954 VanDerWaalsContact OG-CB 3.23Å; S952-K954 WeakPolarHBondContact OG-CB 3.26Å; S952-K954 PolarHBondContact OG-N 3.45Å; K954-V956 PolarHBondContact O-N 2.71Å
955A88.1Confident89.7Confident46 Ų4653.2 Ų53.238%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-67.3122.3167.100000109.6V946 V947V946-A955 HydrophobicContact CG1-CB 3.84Å; V947-A955 CarbonylContact O-C 3.58Å; V947-A955 WeakPolarHBondContact O-CA 3.5Å
956V84Confident89.8Confident77 Ų7753.7 Ų53.747%0.46732%0.321SS..EExtended strand (participates in β ladder)trans-106.6-20.9-178.7-66.10000112.6W927 V947 E949 K954W927-V956 HydrophobicContact CE3-CG2 3.84Å; W927-V956 HydrophobicContact CZ3-CB 4.37Å; W927-V956 HydrophobicContact CZ3-CG1 4Å; W927-V956 HydrophobicContact CZ3-CG2 3.7Å; V947-V956 HydrophobicContact CB-CG2 4.06Å; V947-V956 HydrophobicContact CG1-CG2 3.83Å; V947-V956 WeakPolarHBondContact O-CG2 3.18Å; V947-V956 PolarHBondContact O-N 2.99Å; E949-V956 HydrophobicContact CB-CG1 4.2Å; K954-V956 PolarHBondContact O-N 2.71Å
957E84.4Confident89.9Confident65 Ų6555.8 Ų55.830%0.30434%0.335SS..EExtended strand (participates in β ladder)trans-148.3144-178.9-155-175125.500109.8R891 K895 V947R891-E957 IonicContact NH1-OE2 3.59Å; R891-E957 PolarHBondContact NH1-OE2 3.3Å; K895-E957 WeakPolarHBondContact CE-OE1 3.18Å; K895-E957 IonicContact NZ-OE1 2.7Å; K895-E957 PolarHBondContact NZ-OE1 3.34Å; V947-E957 HydrophobicContact CB-CB 3.68Å; V947-E957 HydrophobicContact CG2-CB 3.71Å; V947-E957 HydrophobicContact CG2-CG 4.41Å; V947-E957 PolarHBondContact N-O 3.03Å; V947-E957 PolarHBondContact O-N 2.98Å
958G78.1Confident90.1Very high39 Ų3955.8 Ų55.840%0.40233%0.334SS..  trans109.6136.5-175.900000112.7
959S79.6Confident90.3Very high110 Ų11055.8 Ų55.877%0.76933%0.334SS*.SBendtrans-85.7-14179.961.50000113.3
960K86.8Confident90.5Very high97 Ų9753.4 Ų53.442%0.42232%0.324SS..SBendtrans-93.8160.2-179.1-54.8-70.2-178.2167.80110.8P932 D944 V946P932-K960 HydrophobicContact CB-CB 3.7Å; P932-K960 HydrophobicContact CB-CG 4.23Å; D944-K960 WeakPolarHBondContact OD1-CE 3.39Å; V946-K960 HydrophobicContact CG2-CB 4.35Å; V946-K960 WeakPolarHBondContact CG2-O 3.4Å
961K91.1Very high90.8Very high168 Ų16853.1 Ų53.173%0.7332%0.323SS*.PPolyproline II helixtrans-74.8138.9170.2-70.4-177.4178.41800109.6P932 S933P932-K961 CarbonylContact C-O 3.55Å; P932-K961 WeakPolarHBondContact CA-O 3.43Å; S933-K961 PolarHBondContact N-O 3.46Å
962P94.5Very high91.3Very high37 Ų3749.6 Ų49.624%0.2429%0.294CS..BIsolated β-bridgetrans-68.3163.317531.7-35.6000110.8I930 S933 V946 V948 T966I930-P962 HydrophobicContact CG2-CB 3.86Å; S933-P962 WeakPolarHBondContact CB-O 3.1Å; V946-P962 HydrophobicContact CB-CB 4Å; V946-P962 HydrophobicContact CG1-CB 3.84Å; V946-P962 HydrophobicContact CG1-CG 4.32Å; V946-P962 HydrophobicContact CG2-CB 4.32Å; V948-P962 HydrophobicContact CG2-CB 4.2Å; P962-T966 WeakPolarHBondContact CB-OG1 3.4Å
963S94.5Very high91.8Very high10 Ų1046.6 Ų46.67%0.0727%0.272CS..PPolyproline II helixtrans-49145.1176.1-175.40000112.1N917 K931 D965 T966N917-S963 PolarHBondContact ND2-OG 2.85Å; K931-S963 WeakPolarHBondContact O-CB 3.28Å; K931-S963 PolarHBondContact O-N 2.94Å; S963-D965 PolarHBondContact O-N 3.45Å; S963-D965 PolarHBondContact OG-N 3.37Å; S963-T966 VanDerWaalsContact O-CB 3.25Å; S963-T966 WeakPolarHBondContact O-CB 3.16Å; S963-T966 PolarHBondContact O-N 3.47Å; S963-T966 VanDerWaalsContact O-N 3.08Å; S963-T966 PolarHBondContact O-OG1 3.02Å
964S92.9Very high92.2Very high69 Ų6950.9 Ų50.948%0.48328%0.28SS..THydrogen-bonded Turntrans-56.9-30.3171.945.40000112.3T966 P967 E1031S964-T966 PolarHBondContact O-N 3.47Å; S964-P967 WeakPolarHBondContact O-CD 3.42Å; S964-E1031 WeakPolarHBondContact O-CG 3.2Å
965D95.6Very high92.5Very high16 Ų1649 Ų499%0.08627%0.269CS..THydrogen-bonded Turntrans-76.80.6179.2-58.9-63.1000114.5N917 S963 P967 T968 H969 H984N917-D965 PolarHBondContact ND2-OD2 2.9Å; S963-D965 PolarHBondContact O-N 3.45Å; S963-D965 PolarHBondContact OG-N 3.37Å; D965-P967 VanDerWaalsContact C-N 3.29Å; D965-T968 VanDerWaalsContact O-CB 3.3Å; D965-T968 WeakPolarHBondContact O-CB 3.47Å; D965-T968 PolarHBondContact O-N 2.96Å; D965-H969 PolarHBondContact O-CD2 3.21Å; D965-H969 PolarHBondContact O-N 2.77Å; D965-H969 VanDerWaalsContact O-N 3.12Å; D965-H984 IonicContact OD1-CD2 2.91Å; D965-H984 IonicContact OD2-CD2 2.7Å; D965-H984 PolarHBondContact OD2-CD2 3.48Å; D965-H984 VanDerWaalsContact OD2-CD2 3.3Å
966T97.4Very high92.9Very high9 Ų947.9 Ų47.96%0.05526%0.255CS..Hα-helixtrans-47.8-45.1177.3-61.90000112.9M928 V948 P962 S963 S964 T968 H969 L970M928-T966 HydrophobicContact CE-CG2 3.71Å; V948-T966 HydrophobicContact CG1-CG2 4.25Å; V948-T966 HydrophobicContact CG2-CG2 4.31Å; P962-T966 WeakPolarHBondContact CB-OG1 3.4Å; S963-T966 VanDerWaalsContact O-CB 3.25Å; S963-T966 WeakPolarHBondContact O-CB 3.16Å; S963-T966 PolarHBondContact O-N 3.47Å; S963-T966 VanDerWaalsContact O-N 3.08Å; S963-T966 PolarHBondContact O-OG1 3.02Å; S964-T966 PolarHBondContact O-N 3.47Å; T966-T968 VanDerWaalsContact C-N 3.34Å; T966-T968 PolarHBondContact O-N 3.21Å; T966-H969 PolarHBondContact O-N 3.17Å; T966-L970 HydrophobicContact CG2-CD1 3.86Å; T966-L970 HydrophobicContact CG2-CG 4.27Å; T966-L970 WeakPolarHBondContact O-CB 3.4Å; T966-L970 VanDerWaalsContact O-CG 3.28Å; T966-L970 WeakPolarHBondContact O-CG 3.4Å; T966-L970 PolarHBondContact O-N 3.01Å
967P97.3Very high93.2Very high45 Ų4547.6 Ų47.629%0.29226%0.261SS..Hα-helixtrans-61.9-38177.8-23.136.7000113.5S964 D965 L970 A971 E1031S964-P967 WeakPolarHBondContact O-CD 3.42Å; D965-P967 VanDerWaalsContact C-N 3.29Å; P967-L970 PolarHBondContact O-N 2.63Å; P967-A971 PolarHBondContact O-N 3.41Å; P967-E1031 HydrophobicContact CB-CB 4.16Å; P967-E1031 HydrophobicContact CG-CB 4.1Å
968T97.9Very high93.5Very high0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-61.3-47.5175.7-480000110.7D965 T966 A971 L972 E1031 T1034 I1038 F1063D965-T968 VanDerWaalsContact O-CB 3.3Å; D965-T968 WeakPolarHBondContact O-CB 3.47Å; D965-T968 PolarHBondContact O-N 2.96Å; T966-T968 VanDerWaalsContact C-N 3.34Å; T966-T968 PolarHBondContact O-N 3.21Å; T968-A971 PolarHBondContact O-N 3.19Å; T968-L972 WeakPolarHBondContact O-CG 3.45Å; T968-L972 PolarHBondContact O-N 3.36Å; T968-E1031 PolarHBondContact OG1-O 3.05Å; T968-T1034 HydrophobicContact CG2-CG2 4.15Å; T968-I1038 HydrophobicContact CG2-CD1 4.25Å; T968-F1063 HydrophobicContact CG2-CD1 4.26Å; T968-F1063 HydrophobicContact CG2-CE1 3.55Å; T968-F1063 HydrophobicContact CG2-CE2 4.42Å; T968-F1063 HydrophobicContact CG2-CZ 3.67Å
969H98.2Very high94.3Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-64.6-44.5-179.4-72.3-132.9000111.1N917 S919 M928 I930 D965 T966 A971 L972 Y973 I982 F1063N917-H969 PolarHBondContact OD1-CE1 3.33Å; N917-H969 PolarHBondContact OD1-NE2 2.93Å; S919-H969 PolarHBondContact OG-ND1 3.35Å; M928-H969 HydrophobicContact SD-CB 3.85Å; I930-H969 HydrophobicContact CD1-CB 4.46Å; D965-H969 PolarHBondContact O-CD2 3.21Å; D965-H969 PolarHBondContact O-N 2.77Å; D965-H969 VanDerWaalsContact O-N 3.12Å; T966-H969 PolarHBondContact O-N 3.17Å; H969-A971 VanDerWaalsContact C-N 3.35Å; H969-A971 PolarHBondContact O-N 3.06Å; H969-L972 PolarHBondContact O-N 3.22Å; H969-Y973 HydrophobicContact CB-CD2 4.38Å; H969-Y973 HydrophobicContact CB-CE2 4.23Å; H969-Y973 WeakPolarHBondContact O-CD2 3.35Å; H969-Y973 PolarHBondContact O-N 3.22Å; H969-I982 HydrophobicContact CB-CD1 4.25Å; H969-I982 VanDerWaalsContact CE1-CG2 3.49Å; H969-I982 WeakPolarHBondContact CE1-CG2 3.05Å; H969-F1063 AromaticContact NE2-CE1 3.78Å
970L98Very high95.1Very high8 Ų842.5 Ų42.54%0.04222%0.217CC..Hα-helixtrans-60-42.7176.4-72.5172.3000112.1M928 V948 I950 T966 P967 L972 Y973 R974M928-L970 HydrophobicContact CE-CD2 3.82Å; M928-L970 HydrophobicContact CE-CG 3.9Å; M928-L970 HydrophobicContact SD-CD2 4.25Å; V948-L970 HydrophobicContact CG1-CD1 4.32Å; V948-L970 HydrophobicContact CG1-CD2 4.4Å; I950-L970 HydrophobicContact CB-CD2 4.41Å; I950-L970 HydrophobicContact CG1-CD2 4.45Å; I950-L970 HydrophobicContact CG2-CD2 4.38Å; T966-L970 HydrophobicContact CG2-CD1 3.86Å; T966-L970 HydrophobicContact CG2-CG 4.27Å; T966-L970 WeakPolarHBondContact O-CB 3.4Å; T966-L970 VanDerWaalsContact O-CG 3.28Å; T966-L970 WeakPolarHBondContact O-CG 3.4Å; T966-L970 PolarHBondContact O-N 3.01Å; P967-L970 PolarHBondContact O-N 2.63Å; L970-L972 VanDerWaalsContact C-N 3.32Å; L970-L972 PolarHBondContact O-N 2.65Å; L970-Y973 PolarHBondContact O-N 3.47Å; L970-R974 VanDerWaalsContact O-CB 3.28Å; L970-R974 WeakPolarHBondContact O-CB 3.28Å; L970-R974 VanDerWaalsContact O-CD 3.27Å; L970-R974 WeakPolarHBondContact O-CD 3.32Å; L970-R974 WeakPolarHBondContact O-CG 3.36Å; L970-R974 PolarHBondContact O-N 3.23Å
971A97.3Very high95.6Very high5 Ų537.9 Ų37.94%0.04120%0.197CC..Hα-helixtrans-58-45.8176.800000111.2P967 T968 H969 R975 Y1032 I1039P967-A971 PolarHBondContact O-N 3.41Å; T968-A971 PolarHBondContact O-N 3.19Å; H969-A971 VanDerWaalsContact C-N 3.35Å; H969-A971 PolarHBondContact O-N 3.06Å; A971-R975 VanDerWaalsContact O-CB 3.31Å; A971-R975 WeakPolarHBondContact O-CB 3.31Å; A971-R975 PolarHBondContact O-N 2.91Å; A971-Y1032 HydrophobicContact CB-CD2 4.18Å; A971-Y1032 HydrophobicContact CB-CE2 3.99Å; A971-I1039 HydrophobicContact CB-CD1 4.22Å
972L97.8Very high96Very high0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-67.4-46.9179.2-65175.2000112.6T968 H969 L970 R974 R975 Y976 I982 I1038 I1039T968-L972 WeakPolarHBondContact O-CG 3.45Å; T968-L972 PolarHBondContact O-N 3.36Å; H969-L972 PolarHBondContact O-N 3.22Å; L970-L972 VanDerWaalsContact C-N 3.32Å; L970-L972 PolarHBondContact O-N 2.65Å; L972-R974 VanDerWaalsContact C-N 3.32Å; L972-R974 PolarHBondContact O-N 3.49Å; L972-R975 PolarHBondContact O-N 3.02Å; L972-R975 VanDerWaalsContact O-N 3.11Å; L972-Y976 HydrophobicContact CD2-CD2 4.22Å; L972-Y976 HydrophobicContact CD2-CE2 4.04Å; L972-Y976 PolarHBondContact O-N 3.19Å; L972-I982 HydrophobicContact CB-CD1 3.73Å; L972-I982 HydrophobicContact CD1-CD1 4.05Å; L972-I1038 HydrophobicContact CD2-CB 4.38Å; L972-I1038 HydrophobicContact CD2-CG2 3.85Å; L972-I1039 HydrophobicContact CD2-CD1 4.46Å; L972-I1039 HydrophobicContact CD2-CG1 3.91Å
973Y97.5Very high96.2Very high5 Ų528.2 Ų28.22%0.0215%0.151CC..Hα-helixtrans-63.8-35.2178.3-75.1-57000113.6S919 A920 V921 R925 M928 H969 L970 R975 I979 G980 G981 I982S919-Y973 VanDerWaalsContact C-OH 3.31Å; S919-Y973 PolarHBondContact O-OH 2.95Å; S919-Y973 VanDerWaalsContact OG-CE2 3.26Å; S919-Y973 WeakPolarHBondContact OG-CE2 3.46Å; S919-Y973 PolarHBondContact OG-OH 3.17Å; A920-Y973 WeakPolarHBondContact CA-OH 3.33Å; A920-Y973 PolarHBondContact N-OH 2.93Å; V921-Y973 HydrophobicContact CB-CD1 4.46Å; V921-Y973 HydrophobicContact CB-CE1 4.31Å; V921-Y973 HydrophobicContact CG1-CD1 3.47Å; V921-Y973 VanDerWaalsContact CG1-CD1 3.47Å; V921-Y973 HydrophobicContact CG1-CD2 3.74Å; V921-Y973 HydrophobicContact CG1-CE1 3.45Å; V921-Y973 VanDerWaalsContact CG1-CE1 3.45Å; V921-Y973 HydrophobicContact CG1-CE2 3.74Å; V921-Y973 HydrophobicContact CG1-CG 3.61Å; V921-Y973 HydrophobicContact CG2-CD1 4.1Å; V921-Y973 HydrophobicContact CG2-CE1 3.92Å; R925-Y973 PolarHBondContact NH2-O 3.3Å; M928-Y973 HydrophobicContact CG-CD2 4.3Å; M928-Y973 HydrophobicContact CG-CE2 3.91Å; M928-Y973 HydrophobicContact SD-CD2 3.62Å; M928-Y973 HydrophobicContact SD-CE2 3.47Å; M928-Y973 WeakPolarHBondContact SD-CE2 3.27Å; H969-Y973 HydrophobicContact CB-CD2 4.38Å; H969-Y973 HydrophobicContact CB-CE2 4.23Å; H969-Y973 WeakPolarHBondContact O-CD2 3.35Å; H969-Y973 PolarHBondContact O-N 3.22Å; L970-Y973 PolarHBondContact O-N 3.47Å; Y973-R975 VanDerWaalsContact C-N 3.27Å; Y973-I979 HydrophobicContact CD1-CB 4.4Å; Y973-I979 HydrophobicContact CD1-CG2 3.97Å; Y973-I979 WeakPolarHBondContact CD1-O 3.38Å; Y973-I979 HydrophobicContact CE1-CB 4.5Å; Y973-I979 HydrophobicContact CE1-CG2 3.69Å; Y973-I979 WeakPolarHBondContact CE1-O 3.22Å; Y973-G980 PolarHBondContact OH-O 2.99Å; Y973-G981 WeakPolarHBondContact OH-CA 3.31Å; Y973-I982 HydrophobicContact CD1-CD1 4.21Å; Y973-I982 HydrophobicContact CD2-CD1 3.88Å; Y973-I982 HydrophobicContact CE1-CD1 3.97Å; Y973-I982 HydrophobicContact CE1-CG1 4.03Å; Y973-I982 HydrophobicContact CE2-CD1 3.59Å; Y973-I982 HydrophobicContact CE2-CG1 4.1Å; Y973-I982 HydrophobicContact CG-CD1 4.17Å; Y973-I982 PolarHBondContact OH-N 3.29Å
974R96.2Very high96.4Very high117 Ų11727.9 Ų27.944%0.44215%0.149SC..Hα-helixtrans-70-28176-71.6166.3-176.8167.6-1111.9I950 A951 L970 L972I950-R974 HydrophobicContact CG2-CG 3.95Å; I950-R974 PolarHBondContact O-NE 2.95Å; I950-R974 PolarHBondContact O-NH2 3.4Å; A951-R974 PolarHBondContact O-NH2 3.39Å; L970-R974 VanDerWaalsContact O-CB 3.28Å; L970-R974 WeakPolarHBondContact O-CB 3.28Å; L970-R974 VanDerWaalsContact O-CD 3.27Å; L970-R974 WeakPolarHBondContact O-CD 3.32Å; L970-R974 WeakPolarHBondContact O-CG 3.36Å; L970-R974 PolarHBondContact O-N 3.23Å; L972-R974 VanDerWaalsContact C-N 3.32Å; L972-R974 PolarHBondContact O-N 3.49Å
975R96.2Very high96.5Very high106 Ų10624.8 Ų24.840%0.413%0.127SC..Hα-helixtrans-91.1-41.4-175.3-163.563.2120.576.30.8113.8A971 L972 Y973 I1039 E1043A971-R975 VanDerWaalsContact O-CB 3.31Å; A971-R975 WeakPolarHBondContact O-CB 3.31Å; A971-R975 PolarHBondContact O-N 2.91Å; L972-R975 PolarHBondContact O-N 3.02Å; L972-R975 VanDerWaalsContact O-N 3.11Å; Y973-R975 VanDerWaalsContact C-N 3.27Å; R975-I1039 HydrophobicContact CB-CD1 3.84Å; R975-I1039 HydrophobicContact CB-CG1 4.3Å; R975-I1039 HydrophobicContact CG-CD1 3.98Å; R975-I1039 HydrophobicContact CG-CG1 4.15Å; R975-I1039 HydrophobicContact CG-CG2 3.97Å; R975-E1043 IonicContact CZ-OE1 3.39Å; R975-E1043 IonicContact CZ-OE2 2.73Å; R975-E1043 IonicContact NH1-OE1 3.36Å; R975-E1043 PolarHBondContact NH1-OE1 3.16Å; R975-E1043 IonicContact NH1-OE2 3.68Å; R975-E1043 PolarHBondContact NH1-OE2 3.35Å; R975-E1043 IonicContact NH2-OE1 3.37Å; R975-E1043 PolarHBondContact NH2-OE1 3.49Å; R975-E1043 IonicContact NH2-OE2 3.54Å; R975-E1043 PolarHBondContact NH2-OE2 2.96Å
976Y95Very high96.5Very high22 Ų2227 Ų279%0.08614%0.137CC..  trans-117.9107.6-173.7-56.1-60.2000109.8R925 L972 E978 I979 I1039 P1049R925-Y976 PolarHBondContact NH2-O 3.45Å; L972-Y976 HydrophobicContact CD2-CD2 4.22Å; L972-Y976 HydrophobicContact CD2-CE2 4.04Å; L972-Y976 PolarHBondContact O-N 3.19Å; Y976-E978 VanDerWaalsContact C-N 3.27Å; Y976-E978 PolarHBondContact O-N 3.26Å; Y976-I979 HydrophobicContact CD2-CD1 3.82Å; Y976-I979 HydrophobicContact CG-CD1 4.1Å; Y976-I979 PolarHBondContact O-N 3.29Å; Y976-I1039 HydrophobicContact CE2-CG1 3.91Å; Y976-P1049 HydrophobicContact CD1-CG 3.55Å; Y976-P1049 HydrophobicContact CD2-CG 4.36Å; Y976-P1049 HydrophobicContact CE1-CG 3.72Å; Y976-P1049 HydrophobicContact CE2-CG 4.49Å; Y976-P1049 HydrophobicContact CG-CB 4.5Å; Y976-P1049 HydrophobicContact CG-CG 3.89Å
977A90.5Very high96.5Very high72 Ų7226.7 Ų26.760%0.59514%0.135SC*.THydrogen-bonded Turntrans-71.9-24.1-175.300000112.5R925 I979R925-A977 VanDerWaalsContact CZ-O 3.27Å; R925-A977 PolarHBondContact NH1-O 3.06Å; A977-I979 VanDerWaalsContact C-N 3.3Å; A977-I979 PolarHBondContact O-N 3.43Å
978E90.1Very high96.4Very high95 Ų9533.1 Ų33.144%0.44415%0.153SC..THydrogen-bonded Turntrans-73.2-17.2177.759.4-92.6-145.100113.9Y976 G980 P1049 A1050Y976-E978 VanDerWaalsContact C-N 3.27Å; Y976-E978 PolarHBondContact O-N 3.26Å; E978-G980 PolarHBondContact O-N 2.95Å; E978-P1049 WeakPolarHBondContact OE1-CG 3.24Å; E978-A1050 HydrophobicContact CG-CB 4.3Å
979I96.9Very high96.4Very high2 Ų235.1 Ų35.11%0.0116%0.163CC..  trans-82.2119.4179.3-61.7-178.2000109.3R925 Y973 Y976 A977 I982 W1065R925-I979 PolarHBondContact NH1-O 3.16Å; R925-I979 PolarHBondContact NH2-O 3.22Å; Y973-I979 HydrophobicContact CD1-CB 4.4Å; Y973-I979 HydrophobicContact CD1-CG2 3.97Å; Y973-I979 WeakPolarHBondContact CD1-O 3.38Å; Y973-I979 HydrophobicContact CE1-CB 4.5Å; Y973-I979 HydrophobicContact CE1-CG2 3.69Å; Y973-I979 WeakPolarHBondContact CE1-O 3.22Å; Y976-I979 HydrophobicContact CD2-CD1 3.82Å; Y976-I979 HydrophobicContact CG-CD1 4.1Å; Y976-I979 PolarHBondContact O-N 3.29Å; A977-I979 VanDerWaalsContact C-N 3.3Å; A977-I979 PolarHBondContact O-N 3.43Å; I979-I982 HydrophobicContact CG2-CD1 3.98Å; I979-I982 HydrophobicContact CG2-CG1 3.54Å; I979-W1065 HydrophobicContact CD1-CB 4.22Å; I979-W1065 HydrophobicContact CD1-CD2 3.9Å; I979-W1065 HydrophobicContact CD1-CG 3.68Å; I979-W1065 HydrophobicContact CG1-CB 4.35Å; I979-W1065 HydrophobicContact CG1-CG 3.99Å; I979-W1065 HydrophobicContact CG2-CB 3.77Å; I979-W1065 HydrophobicContact CG2-CG 4.31Å
980G96Very high96.4Very high10 Ų1035.1 Ų35.110%0.10316%0.163CC..  trans-108.7-26.3176.700000114.1A920 V921 Y973 E978 G1066 K1067A920-G980 VanDerWaalsContact CA-O 3.26Å; A920-G980 WeakPolarHBondContact CA-O 3.5Å; V921-G980 PolarHBondContact N-O 2.86Å; Y973-G980 PolarHBondContact OH-O 2.99Å; E978-G980 PolarHBondContact O-N 2.95Å; G980-G1066 PolarHBondContact N-O 2.99Å; G980-K1067 WeakPolarHBondContact CA-O 3.49Å
981G97.8Very high96.3Very high0 Ų035.4 Ų35.40%016%0.164CC..EExtended strand (participates in β ladder)trans-136.8147.1174.700000112S919 Y973 W1065 G1066 A1072S919-G981 WeakPolarHBondContact O-CA 3.27Å; Y973-G981 WeakPolarHBondContact OH-CA 3.31Å; G981-W1065 CarbonylContact O-C 3.55Å; G981-W1065 WeakPolarHBondContact O-CA 3.37Å; G981-W1065 WeakPolarHBondContact O-CB 2.97Å; G981-G1066 PolarHBondContact N-O 2.91Å; G981-G1066 PolarHBondContact O-N 2.83Å; G981-A1072 WeakPolarHBondContact O-CB 3.46Å
982I98.6Very high96.3Very high0 Ų038.6 Ų38.60%018%0.18CC..EExtended strand (participates in β ladder)trans-133.9134.9177.4-59.3173.4000109.1V918 S919 H969 L972 Y973 I979 F1063 A1064 W1065V918-I982 VanDerWaalsContact CA-O 3.31Å; V918-I982 WeakPolarHBondContact CA-O 3.23Å; V918-I982 WeakPolarHBondContact CG1-O 3.33Å; S919-I982 PolarHBondContact N-O 2.91Å; S919-I982 PolarHBondContact O-N 3.23Å; H969-I982 HydrophobicContact CB-CD1 4.25Å; H969-I982 VanDerWaalsContact CE1-CG2 3.49Å; H969-I982 WeakPolarHBondContact CE1-CG2 3.05Å; L972-I982 HydrophobicContact CB-CD1 3.73Å; L972-I982 HydrophobicContact CD1-CD1 4.05Å; Y973-I982 HydrophobicContact CD1-CD1 4.21Å; Y973-I982 HydrophobicContact CD2-CD1 3.88Å; Y973-I982 HydrophobicContact CE1-CD1 3.97Å; Y973-I982 HydrophobicContact CE1-CG1 4.03Å; Y973-I982 HydrophobicContact CE2-CD1 3.59Å; Y973-I982 HydrophobicContact CE2-CG1 4.1Å; Y973-I982 HydrophobicContact CG-CD1 4.17Å; Y973-I982 PolarHBondContact OH-N 3.29Å; I979-I982 HydrophobicContact CG2-CD1 3.98Å; I979-I982 HydrophobicContact CG2-CG1 3.54Å; I982-F1063 HydrophobicContact CG2-CD1 4.16Å; I982-A1064 CarbonylContact C-O 3.53Å; I982-A1064 WeakPolarHBondContact CA-O 3.32Å; I982-W1065 HydrophobicContact CG1-CB 4.14Å
983V98.4Very high96.3Very high2 Ų239.2 Ų39.21%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-117.4128.5172.6177.10000109.1L905 N917 V918 F1063 A1064 A1072 V1073 A1076L905-V983 HydrophobicContact CD1-CG1 4.44Å; L905-V983 HydrophobicContact CD2-CG1 3.73Å; N917-V983 WeakPolarHBondContact O-CA 3.47Å; V918-V983 HydrophobicContact CB-CG2 4.38Å; V918-V983 HydrophobicContact CG1-CG2 3.88Å; V918-V983 HydrophobicContact CG2-CG1 4.46Å; V918-V983 HydrophobicContact CG2-CG2 3.85Å; V983-F1063 WeakPolarHBondContact O-CA 3.44Å; V983-A1064 PolarHBondContact N-O 3.2Å; V983-A1064 PolarHBondContact O-N 2.89Å; V983-A1072 VanDerWaalsContact CG2-C 3.48Å; V983-A1072 HydrophobicContact CG2-CB 3.73Å; V983-V1073 HydrophobicContact CG2-CB 4.4Å; V983-V1073 HydrophobicContact CG2-CG2 3.7Å; V983-A1076 HydrophobicContact CB-CB 4.27Å; V983-A1076 HydrophobicContact CG1-CB 3.92Å
984H98.1Very high96.3Very high3 Ų339 Ų391%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-112.6138163.4177.247000109.7G916 N917 D965 H986 H1060 P1062 F1063G916-H984 CarbonylContact C-O 3.56Å; G916-H984 WeakPolarHBondContact CA-O 3.32Å; N917-H984 PolarHBondContact N-O 3.29Å; N917-H984 PolarHBondContact O-N 3.06Å; D965-H984 IonicContact OD1-CD2 2.91Å; D965-H984 IonicContact OD2-CD2 2.7Å; D965-H984 PolarHBondContact OD2-CD2 3.48Å; D965-H984 VanDerWaalsContact OD2-CD2 3.3Å; H984-H986 AromaticContact CE1-CD2 3.96Å; H984-H986 AromaticContact CE1-NE2 3.75Å; H984-H986 AromaticContact NE2-CD2 3.63Å; H984-H986 AromaticContact NE2-NE2 3.33Å; H984-H986 PolarHBondContact NE2-NE2 3Å; H984-H1060 AromaticContact CE1-CE1 3.63Å; H984-H1060 AromaticContact CE1-NE2 3.98Å; H984-H1060 AromaticContact NE2-CE1 3.69Å; H984-H1060 AromaticContact NE2-NE2 3.82Å; H984-P1062 PolarHBondContact ND1-O 3.35Å; H984-F1063 HydrophobicContact CB-CD1 3.81Å; H984-F1063 HydrophobicContact CB-CE1 3.48Å; H984-F1063 VanDerWaalsContact CB-CE1 3.48Å; H984-F1063 HydrophobicContact CB-CG 4.45Å; H984-F1063 HydrophobicContact CB-CZ 3.86Å; H984-F1063 AromaticContact CE1-CE2 3.76Å; H984-F1063 AromaticContact CE1-CZ 3.95Å; H984-F1063 AromaticContact CG-CE1 3.66Å; H984-F1063 AromaticContact CG-CE2 3.9Å; H984-F1063 AromaticContact CG-CZ 3.46Å; H984-F1063 VanDerWaalsContact CG-CZ 3.46Å; H984-F1063 AromaticContact ND1-CD2 3.7Å; H984-F1063 AromaticContact ND1-CE1 3.87Å; H984-F1063 AromaticContact ND1-CE2 3.27Å; H984-F1063 VanDerWaalsContact ND1-CE2 3.27Å; H984-F1063 WeakPolarHBondContact ND1-CE2 3.21Å; H984-F1063 AromaticContact ND1-CZ 3.35Å; H984-F1063 WeakPolarHBondContact ND1-CZ 3.48Å
985T96.3Very high96.4Very high4 Ų439.1 Ų39.13%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-151.2168.4173.9-171.50000111.5L910 V911 W915 S987 P1062L910-T985 PolarHBondContact O-OG1 2.68Å; V911-T985 VanDerWaalsContact CG1-OG1 3.3Å; V911-T985 WeakPolarHBondContact CG1-OG1 3.31Å; W915-T985 PolarHBondContact O-OG1 3.27Å; T985-S987 PolarHBondContact OG1-N 3.23Å; T985-P1062 HydrophobicContact CG2-CG 3.78Å; T985-P1062 PolarHBondContact N-O 2.88Å; T985-P1062 WeakPolarHBondContact O-CD 3.35Å; T985-P1062 WeakPolarHBondContact O-CG 3.31Å
986H96Very high96.4Very high63 Ų6336.8 Ų36.829%0.29219%0.191SC..  trans-110.849.6165.1-68.1-108.9000110.9W915 H984 T991 H1060W915-H986 HydrophobicContact CB-CB 4.33Å; W915-H986 HydrophobicContact CE3-CB 4.49Å; W915-H986 PolarHBondContact O-N 3.21Å; H984-H986 AromaticContact CE1-CD2 3.96Å; H984-H986 AromaticContact CE1-NE2 3.75Å; H984-H986 AromaticContact NE2-CD2 3.63Å; H984-H986 AromaticContact NE2-NE2 3.33Å; H984-H986 PolarHBondContact NE2-NE2 3Å; H986-T991 WeakPolarHBondContact CA-OG1 3.24Å; H986-H1060 AromaticContact CE1-CD2 3.46Å; H986-H1060 PolarHBondContact CE1-CD2 2.93Å; H986-H1060 VanDerWaalsContact CE1-CD2 3.46Å; H986-H1060 AromaticContact CE1-NE2 3.62Å; H986-H1060 AromaticContact NE2-CD2 3.92Å; H986-H1060 AromaticContact NE2-NE2 3.6Å
987S96.3Very high96.4Very high2 Ų236.9 Ų36.91%0.01420%0.198CC..  trans-61.8143.7178.667.20000110.9L910 T985 H989 T991 E1080L910-S987 WeakPolarHBondContact O-CA 3.42Å; L910-S987 VanDerWaalsContact O-CB 3.27Å; L910-S987 WeakPolarHBondContact O-CB 3.3Å; L910-S987 PolarHBondContact O-N 3.37Å; T985-S987 PolarHBondContact OG1-N 3.23Å; S987-H989 PolarHBondContact O-N 3Å; S987-T991 PolarHBondContact N-OG1 2.8Å; S987-T991 WeakPolarHBondContact O-CB 3.19Å; S987-T991 PolarHBondContact O-N 2.77Å; S987-T991 PolarHBondContact O-OG1 2.72Å; S987-E1080 WeakPolarHBondContact CB-OE2 3.49Å; S987-E1080 PolarHBondContact OG-OE2 2.84Å
988R95.8Very high96.7Very high180 Ų18036.9 Ų36.968%0.67919%0.188SC*.Hα-helixtrans-58.5-51-161-174.9174.6-65.9164.43.1112.9I992 E1080R988-I992 HydrophobicContact CG-CD1 4.39Å; R988-I992 WeakPolarHBondContact O-CD1 3.31Å; R988-I992 VanDerWaalsContact O-CG1 3.22Å; R988-I992 WeakPolarHBondContact O-CG1 3.39Å; R988-I992 PolarHBondContact O-N 2.89Å; R988-E1080 PolarHBondContact N-OE1 2.92Å
989H97.2Very high97Very high42 Ų4234.7 Ų34.719%0.19418%0.179CC..Hα-helixtrans-80.2-46.6-171.5-5398.5000111.5S987 T991 I992 W993 E1080 A1083 Y1084S987-H989 PolarHBondContact O-N 3Å; H989-T991 PolarHBondContact O-N 2.94Å; H989-I992 WeakPolarHBondContact O-CB 3.44Å; H989-I992 PolarHBondContact O-N 3.4Å; H989-W993 VanDerWaalsContact O-CD1 3.28Å; H989-W993 PolarHBondContact O-N 2.82Å; H989-E1080 WeakPolarHBondContact CB-OE1 3.15Å; H989-E1080 IonicContact CE1-OE1 3.78Å; H989-E1080 IonicContact CG-OE1 2.89Å; H989-E1080 PolarHBondContact N-OE1 3.14Å; H989-E1080 PolarHBondContact N-OE2 2.63Å; H989-E1080 IonicContact ND1-OE1 3.94Å; H989-E1080 PolarHBondContact ND1-OE1 3.12Å; H989-A1083 HydrophobicContact CB-CB 3.89Å; H989-Y1084 AromaticContact CD2-CD2 3.73Å; H989-Y1084 AromaticContact CE1-CD2 3.6Å; H989-Y1084 AromaticContact NE2-CD2 3.41Å; H989-Y1084 WeakPolarHBondContact NE2-CD2 3.42Å
990A97.6Very high97Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-60.7-34.9176.200000112W993 S994 L1056 P1062 L1079 E1080 A1083A990-W993 PolarHBondContact O-N 3.04Å; A990-S994 PolarHBondContact O-N 3.33Å; A990-S994 PolarHBondContact O-OG 3.22Å; A990-L1056 HydrophobicContact CB-CD2 4.07Å; A990-P1062 HydrophobicContact CB-CB 4.04Å; A990-P1062 HydrophobicContact CB-CG 3.77Å; A990-L1079 HydrophobicContact CB-CD2 4.29Å; A990-L1079 HydrophobicContact CB-CG 4.15Å; A990-E1080 WeakPolarHBondContact CB-OE2 3.17Å; A990-E1080 PolarHBondContact N-OE2 2.91Å; A990-A1083 HydrophobicContact CB-CB 4.22Å
991T97.6Very high97Very high13 Ų1335.7 Ų35.78%0.0818%0.184CC..Hα-helixtrans-67.5-36.7173.9-58.40000112.3H986 S987 H989 W993 S994 Q995H986-T991 WeakPolarHBondContact CA-OG1 3.24Å; S987-T991 PolarHBondContact N-OG1 2.8Å; S987-T991 WeakPolarHBondContact O-CB 3.19Å; S987-T991 PolarHBondContact O-N 2.77Å; S987-T991 PolarHBondContact O-OG1 2.72Å; H989-T991 PolarHBondContact O-N 2.94Å; T991-W993 VanDerWaalsContact C-N 3.3Å; T991-W993 PolarHBondContact O-N 2.93Å; T991-S994 WeakPolarHBondContact O-CB 3.44Å; T991-S994 PolarHBondContact O-N 3.18Å; T991-Q995 HydrophobicContact CG2-CG 4.32Å; T991-Q995 WeakPolarHBondContact O-CB 3.37Å; T991-Q995 VanDerWaalsContact O-CG 3.3Å; T991-Q995 WeakPolarHBondContact O-CG 3.38Å; T991-Q995 PolarHBondContact O-N 3.04Å
992I97.4Very high96.9Very high73 Ų7336 Ų3637%0.37419%0.186SC..Hα-helixtrans-59.9-42.8174.1-69.8160.3000110.8R988 H989 Q995 A996 L1087R988-I992 HydrophobicContact CG-CD1 4.39Å; R988-I992 WeakPolarHBondContact O-CD1 3.31Å; R988-I992 VanDerWaalsContact O-CG1 3.22Å; R988-I992 WeakPolarHBondContact O-CG1 3.39Å; R988-I992 PolarHBondContact O-N 2.89Å; H989-I992 WeakPolarHBondContact O-CB 3.44Å; H989-I992 PolarHBondContact O-N 3.4Å; I992-Q995 PolarHBondContact O-N 3.44Å; I992-A996 PolarHBondContact O-N 2.89Å; I992-L1087 HydrophobicContact CB-CD1 4.14Å; I992-L1087 HydrophobicContact CD1-CD1 4.06Å; I992-L1087 HydrophobicContact CG2-CD1 3.81Å
993W97.4Very high96.6Very high13 Ų1338.2 Ų38.25%0.04920%0.195CC..Hα-helixtrans-65.4-41.4175.9-77.591.5000112.6H989 A990 T991 Q995 A996 G997 L998 D999 L1000 W1003 L1056 A1083H989-W993 VanDerWaalsContact O-CD1 3.28Å; H989-W993 PolarHBondContact O-N 2.82Å; A990-W993 PolarHBondContact O-N 3.04Å; T991-W993 VanDerWaalsContact C-N 3.3Å; T991-W993 PolarHBondContact O-N 2.93Å; W993-Q995 VanDerWaalsContact C-N 3.33Å; W993-Q995 PolarHBondContact O-N 2.97Å; W993-A996 PolarHBondContact O-N 3.03Å; W993-G997 PolarHBondContact O-N 3.11Å; W993-L998 HydrophobicContact CE3-CB 4.1Å; W993-L998 HydrophobicContact CZ3-CB 4.19Å; W993-D999 VanDerWaalsContact CZ3-O 3.29Å; W993-D999 WeakPolarHBondContact CZ3-O 3.22Å; W993-L1000 HydrophobicContact CD2-CD1 3.87Å; W993-L1000 HydrophobicContact CE3-CD1 4.2Å; W993-L1000 HydrophobicContact CG-CD1 4.46Å; W993-L1000 HydrophobicContact CH2-CD1 3.95Å; W993-L1000 HydrophobicContact CZ2-CD1 3.59Å; W993-L1000 HydrophobicContact CZ3-CD1 4.23Å; W993-W1003 AromaticContact CH2-CH2 3.62Å; W993-W1003 HydrophobicContact CH2-CH2 3.62Å; W993-W1003 AromaticContact CH2-CZ3 3.73Å; W993-W1003 HydrophobicContact CH2-CZ3 3.73Å; W993-W1003 HydrophobicContact CZ2-CH2 4.18Å; W993-W1003 AromaticContact CZ2-CZ3 3.89Å; W993-W1003 HydrophobicContact CZ2-CZ3 3.89Å; W993-L1056 HydrophobicContact CB-CD1 3.58Å; W993-A1083 PolarHBondContact NE1-O 3.48Å
994S97.7Very high96.3Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-58.4-43.9173.7-58.40000111.7A990 T991 A996 G997 L1056 V1057 H1058 S1059A990-S994 PolarHBondContact O-N 3.33Å; A990-S994 PolarHBondContact O-OG 3.22Å; T991-S994 WeakPolarHBondContact O-CB 3.44Å; T991-S994 PolarHBondContact O-N 3.18Å; S994-A996 VanDerWaalsContact C-N 3.32Å; S994-A996 PolarHBondContact O-N 2.92Å; S994-G997 PolarHBondContact O-N 3.4Å; S994-L1056 WeakPolarHBondContact OG-CB 3.22Å; S994-V1057 WeakPolarHBondContact CB-O 3.41Å; S994-H1058 WeakPolarHBondContact O-CA 3.4Å; S994-S1059 PolarHBondContact O-N 3.3Å
995Q97.6Very high96.1Very high120 Ų12042.2 Ų42.256%0.56123%0.226SC*.Hα-helixtrans-68.1-30.5177-71.9174.2-1.300113.1T991 I992 W993 G997T991-Q995 HydrophobicContact CG2-CG 4.32Å; T991-Q995 WeakPolarHBondContact O-CB 3.37Å; T991-Q995 VanDerWaalsContact O-CG 3.3Å; T991-Q995 WeakPolarHBondContact O-CG 3.38Å; T991-Q995 PolarHBondContact O-N 3.04Å; I992-Q995 PolarHBondContact O-N 3.44Å; W993-Q995 VanDerWaalsContact C-N 3.33Å; W993-Q995 PolarHBondContact O-N 2.97Å; Q995-G997 VanDerWaalsContact C-N 3.26Å; Q995-G997 PolarHBondContact O-N 2.84Å
996A95.6Very high95.9Very high57 Ų5745.1 Ų45.147%0.47124%0.244SC..Hα-helixtrans-73.6-16.9175.100000113.2I992 W993 S994 L998I992-A996 PolarHBondContact O-N 2.89Å; W993-A996 PolarHBondContact O-N 3.03Å; S994-A996 VanDerWaalsContact C-N 3.32Å; S994-A996 PolarHBondContact O-N 2.92Å; A996-L998 VanDerWaalsContact C-N 3.33Å; A996-L998 HydrophobicContact CB-CB 4.5Å; A996-L998 HydrophobicContact CB-CD1 4.04Å; A996-L998 HydrophobicContact CB-CG 4.14Å
997G96.6Very high95.9Very high24 Ų2442.5 Ų42.525%0.24723%0.232CC..THydrogen-bonded Turntrans69.430.3-177.600000113.3W993 S994 Q995 H1058W993-G997 PolarHBondContact O-N 3.11Å; S994-G997 PolarHBondContact O-N 3.4Å; Q995-G997 VanDerWaalsContact C-N 3.26Å; Q995-G997 PolarHBondContact O-N 2.84Å; G997-H1058 WeakPolarHBondContact CA-CD2 3.47Å; G997-H1058 WeakPolarHBondContact CA-NE2 3.49Å
998L95.2Very high95.8Very high71 Ų7142.4 Ų42.437%0.37223%0.231SC..  trans-121.3136.6-173.4-61.8173.8000110.9W993 A996 C1017 R1090W993-L998 HydrophobicContact CE3-CB 4.1Å; W993-L998 HydrophobicContact CZ3-CB 4.19Å; A996-L998 VanDerWaalsContact C-N 3.33Å; A996-L998 HydrophobicContact CB-CB 4.5Å; A996-L998 HydrophobicContact CB-CD1 4.04Å; A996-L998 HydrophobicContact CB-CG 4.14Å; L998-C1017 VanDerWaalsContact C-CB 3.43Å; L998-C1017 WeakPolarHBondContact O-CB 3.3Å; L998-R1090 VanDerWaalsContact CD1-NH1 3.34Å
999D97.1Very high95.6Very high49 Ų4934.9 Ų34.926%0.26220%0.204SC..  trans-55.3148.4164.5-70.63.5000110.5W993 P1001 A1014 I1015 P1016 C1017 R1045W993-D999 VanDerWaalsContact CZ3-O 3.29Å; W993-D999 WeakPolarHBondContact CZ3-O 3.22Å; D999-P1001 VanDerWaalsContact O-CD 3.28Å; D999-P1001 WeakPolarHBondContact O-CD 3.37Å; D999-A1014 HydrophobicContact CB-CB 4.36Å; D999-I1015 WeakPolarHBondContact CA-O 3.32Å; D999-P1016 WeakPolarHBondContact OD1-CA 3.34Å; D999-C1017 PolarHBondContact OD1-N 2.72Å; D999-R1045 VanDerWaalsContact CG-NH1 3.26Å; D999-R1045 IonicContact OD1-CZ 3.02Å; D999-R1045 IonicContact OD1-NH1 2.83Å; D999-R1045 PolarHBondContact OD1-NH1 2.89Å; D999-R1045 IonicContact OD2-CZ 3.7Å; D999-R1045 IonicContact OD2-NH1 2.71Å; D999-R1045 PolarHBondContact OD2-NH1 3.35Å; D999-R1045 IonicContact OD2-NH2 2.64Å; D999-R1045 PolarHBondContact OD2-NH2 3.22Å
1000L96.8Very high95.5Very high1 Ų135.1 Ų35.11%0.00520%0.204CC..BIsolated β-bridgetrans-91.8106.6168.9-177.566.7000109.3W993 W1003 H1007 A1014 I1015 L1056 L1079 C1082 A1083W993-L1000 HydrophobicContact CD2-CD1 3.87Å; W993-L1000 HydrophobicContact CE3-CD1 4.2Å; W993-L1000 HydrophobicContact CG-CD1 4.46Å; W993-L1000 HydrophobicContact CH2-CD1 3.95Å; W993-L1000 HydrophobicContact CZ2-CD1 3.59Å; W993-L1000 HydrophobicContact CZ3-CD1 4.23Å; L1000-W1003 HydrophobicContact CD1-CZ3 4.38Å; L1000-H1007 PolarHBondContact O-CE1 3.03Å; L1000-A1014 CarbonylContact O-C 3.52Å; L1000-A1014 VanDerWaalsContact O-CA 3.3Å; L1000-A1014 WeakPolarHBondContact O-CA 3.41Å; L1000-I1015 HydrophobicContact CB-CB 4.23Å; L1000-I1015 HydrophobicContact CD2-CD1 4.13Å; L1000-I1015 PolarHBondContact N-O 2.83Å; L1000-I1015 PolarHBondContact O-N 3.01Å; L1000-L1056 HydrophobicContact CB-CD1 4.38Å; L1000-L1079 HydrophobicContact CD2-CD1 4.32Å; L1000-C1082 HydrophobicContact CD2-CB 3.86Å; L1000-A1083 HydrophobicContact CD2-CB 4.17Å
1001P95.7Very high95.4Very high33 Ų3335.1 Ų35.121%0.21420%0.204CC..  trans-71.1148-177-17.133.5000112.2D999 W1003D999-P1001 VanDerWaalsContact O-CD 3.28Å; D999-P1001 WeakPolarHBondContact O-CD 3.37Å; P1001-W1003 HydrophobicContact CB-CD2 4.23Å; P1001-W1003 HydrophobicContact CB-CZ2 4.24Å; P1001-W1003 HydrophobicContact CG-CH2 4.14Å; P1001-W1003 HydrophobicContact CG-CZ2 3.79Å; P1001-W1003 PolarHBondContact O-N 2.8Å
1002A95.2Very high95.3Very high6 Ų637.6 Ų37.65%0.0521%0.212CC..  trans-71.997.4172.100000110.2M1099 L1104A1002-M1099 HydrophobicContact CB-CG 4.3Å; A1002-M1099 HydrophobicContact CB-SD 4.13Å; A1002-M1099 WeakPolarHBondContact O-CB 3.17Å; A1002-M1099 VanDerWaalsContact O-CG 3.26Å; A1002-M1099 WeakPolarHBondContact O-CG 3.36Å; A1002-M1099 PolarHBondContact O-N 3.14Å; A1002-L1104 HydrophobicContact CB-CD1 3.9Å
1003W93.4Very high95.2Very high47 Ų4734.8 Ų34.818%0.17820%0.201CC..  trans-99.3-21.2179.4-75.1-49.4000114.6W993 L1000 P1001 G1086 R1090 L1096 P1097W993-W1003 AromaticContact CH2-CH2 3.62Å; W993-W1003 HydrophobicContact CH2-CH2 3.62Å; W993-W1003 AromaticContact CH2-CZ3 3.73Å; W993-W1003 HydrophobicContact CH2-CZ3 3.73Å; W993-W1003 HydrophobicContact CZ2-CH2 4.18Å; W993-W1003 AromaticContact CZ2-CZ3 3.89Å; W993-W1003 HydrophobicContact CZ2-CZ3 3.89Å; L1000-W1003 HydrophobicContact CD1-CZ3 4.38Å; P1001-W1003 HydrophobicContact CB-CD2 4.23Å; P1001-W1003 HydrophobicContact CB-CZ2 4.24Å; P1001-W1003 HydrophobicContact CG-CH2 4.14Å; P1001-W1003 HydrophobicContact CG-CZ2 3.79Å; P1001-W1003 PolarHBondContact O-N 2.8Å; W1003-G1086 VanDerWaalsContact CZ3-O 3.28Å; W1003-G1086 WeakPolarHBondContact CZ3-O 3.44Å; W1003-R1090 HydrophobicContact CH2-CB 3.88Å; W1003-R1090 HydrophobicContact CH2-CG 4.3Å; W1003-L1096 HydrophobicContact CB-CD2 4.28Å; W1003-L1096 HydrophobicContact CD2-CD2 3.91Å; W1003-L1096 HydrophobicContact CG-CD2 3.71Å; W1003-L1096 HydrophobicContact CG-CG 4.26Å; W1003-L1096 PolarHBondContact NE1-O 3.47Å; W1003-P1097 PolarHBondContact NE1-O 3.4Å
1004G92.4Very high95.1Very high32 Ų3235.7 Ų35.733%0.3321%0.211SC..SBendtrans-140.1161.8-171.400000112.7T1006 H1007 A1008G1004-T1006 VanDerWaalsContact C-N 3.28Å; G1004-T1006 PolarHBondContact O-N 2.99Å; G1004-H1007 WeakPolarHBondContact O-CB 3.38Å; G1004-H1007 PolarHBondContact O-N 3.36Å; G1004-H1007 VanDerWaalsContact O-N 3.12Å; G1004-A1008 PolarHBondContact O-N 2.85Å; G1004-A1008 VanDerWaalsContact O-N 3.17Å
1005T92.8Very high95.1Very high57 Ų5735.7 Ų35.735%0.3521%0.211SC..Hα-helixtrans-65.7-29.8-178.152.90000113.1H1007 A1008 D1009 M1099 L1103 H1107T1005-H1007 VanDerWaalsContact C-N 3.3Å; T1005-H1007 PolarHBondContact O-N 2.87Å; T1005-A1008 PolarHBondContact O-N 3.43Å; T1005-D1009 PolarHBondContact O-N 3.29Å; T1005-M1099 HydrophobicContact CG2-CE 4.42Å; T1005-L1103 HydrophobicContact CG2-CD2 4.3Å; T1005-L1103 HydrophobicContact CG2-CG 4.46Å; T1005-H1107 VanDerWaalsContact CB-CE1 3.41Å; T1005-H1107 WeakPolarHBondContact CB-CE1 3.49Å; T1005-H1107 VanDerWaalsContact CG2-CE1 3.45Å; T1005-H1107 WeakPolarHBondContact CG2-CE1 3.45Å; T1005-H1107 VanDerWaalsContact CG2-NE2 3.31Å; T1005-H1107 WeakPolarHBondContact CG2-NE2 3.43Å
1006T92.1Very high95.2Very high65 Ų6530 Ų3040%0.39919%0.185SC..Hα-helixtrans-59.4-42.2172.3-490000111G1004 Y1010 M1085G1004-T1006 VanDerWaalsContact C-N 3.28Å; G1004-T1006 PolarHBondContact O-N 2.99Å; T1006-Y1010 VanDerWaalsContact O-CD2 3.25Å; T1006-Y1010 WeakPolarHBondContact O-CD2 3.28Å; T1006-M1085 HydrophobicContact CG2-CE 4.29Å
1007H95.6Very high95.3Very high7 Ų727.7 Ų27.73%0.03217%0.165CC..Hα-helixtrans-64.2-47.4174.4-171.9126.8000110.4L1000 G1004 T1005 D1009 Y1010 F1011 G1013L1000-H1007 PolarHBondContact O-CE1 3.03Å; G1004-H1007 WeakPolarHBondContact O-CB 3.38Å; G1004-H1007 PolarHBondContact O-N 3.36Å; G1004-H1007 VanDerWaalsContact O-N 3.12Å; T1005-H1007 VanDerWaalsContact C-N 3.3Å; T1005-H1007 PolarHBondContact O-N 2.87Å; H1007-D1009 VanDerWaalsContact C-N 3.27Å; H1007-D1009 PolarHBondContact O-N 3.16Å; H1007-Y1010 PolarHBondContact O-N 3.42Å; H1007-Y1010 VanDerWaalsContact O-N 3.12Å; H1007-F1011 PolarHBondContact O-N 3Å; H1007-G1013 PolarHBondContact NE2-O 3.49Å
1008A94.1Very high95.4Very high0 Ų026.8 Ų26.80%016%0.155CC..Hα-helixtrans-63.1-27.3-177.800000114.6G1004 T1005 Y1010 M1099 L1104 H1107 Y1108G1004-A1008 PolarHBondContact O-N 2.85Å; G1004-A1008 VanDerWaalsContact O-N 3.17Å; T1005-A1008 PolarHBondContact O-N 3.43Å; A1008-Y1010 PolarHBondContact O-N 2.89Å; A1008-M1099 HydrophobicContact CB-CE 3.9Å; A1008-M1099 HydrophobicContact CB-SD 3.81Å; A1008-L1104 HydrophobicContact CB-CD1 3.75Å; A1008-H1107 HydrophobicContact CB-CB 3.61Å; A1008-Y1108 WeakPolarHBondContact O-CA 3.16Å; A1008-Y1108 WeakPolarHBondContact O-CB 3.3Å; A1008-Y1108 WeakPolarHBondContact O-CD2 3.34Å; A1008-Y1108 PolarHBondContact O-N 3.3Å
1009D93Very high95.5Very high23 Ų2327.1 Ų27.112%0.12315%0.151CC..THydrogen-bonded Turntrans-71.9-13177.7-74-30.9000112.4T1005 H1007 H1107 R1110 H1112T1005-D1009 PolarHBondContact O-N 3.29Å; H1007-D1009 VanDerWaalsContact C-N 3.27Å; H1007-D1009 PolarHBondContact O-N 3.16Å; D1009-H1107 WeakPolarHBondContact OD1-CB 3.25Å; D1009-H1107 IonicContact OD1-CG 2.76Å; D1009-H1107 IonicContact OD1-ND1 3.39Å; D1009-H1107 PolarHBondContact OD1-ND1 3.09Å; D1009-H1107 IonicContact OD2-ND1 3.75Å; D1009-R1110 IonicContact OD1-CZ 2.72Å; D1009-R1110 IonicContact OD1-NE 3.06Å; D1009-R1110 PolarHBondContact OD1-NE 3.24Å; D1009-R1110 IonicContact OD1-NH2 3.28Å; D1009-R1110 PolarHBondContact OD1-NH2 3.23Å; D1009-R1110 IonicContact OD2-NH2 2.78Å; D1009-R1110 PolarHBondContact OD2-NH2 2.95Å; D1009-H1112 PolarHBondContact O-NE2 3.13Å
1010Y94Very high95.5Very high46 Ų4631.2 Ų31.218%0.1817%0.169CC..THydrogen-bonded Turntrans-128.2-32.5-177-61.8-95.2000114.3T1006 H1007 A1008 H1074 V1078T1006-Y1010 VanDerWaalsContact O-CD2 3.25Å; T1006-Y1010 WeakPolarHBondContact O-CD2 3.28Å; H1007-Y1010 PolarHBondContact O-N 3.42Å; H1007-Y1010 VanDerWaalsContact O-N 3.12Å; A1008-Y1010 PolarHBondContact O-N 2.89Å; Y1010-H1074 AromaticContact CE1-CD2 3.77Å; Y1010-H1074 AromaticContact CE1-NE2 3.28Å; Y1010-H1074 VanDerWaalsContact CE1-NE2 3.28Å; Y1010-H1074 WeakPolarHBondContact CE1-NE2 3.2Å; Y1010-H1074 AromaticContact CZ-NE2 3.79Å; Y1010-V1078 HydrophobicContact CD1-CG1 4.4Å; Y1010-V1078 HydrophobicContact CD1-CG2 4.07Å; Y1010-V1078 HydrophobicContact CD2-CG1 3.64Å; Y1010-V1078 HydrophobicContact CD2-CG2 4.34Å; Y1010-V1078 HydrophobicContact CE1-CG2 3.98Å; Y1010-V1078 HydrophobicContact CE2-CG1 4.14Å; Y1010-V1078 HydrophobicContact CE2-CG2 4.24Å; Y1010-V1078 HydrophobicContact CG-CB 4.44Å; Y1010-V1078 HydrophobicContact CG-CG1 3.79Å; Y1010-V1078 HydrophobicContact CG-CG2 4.26Å
1011F96.2Very high95.4Very high0 Ų032.6 Ų32.60%018%0.176CC..  trans-124.8121-177.6-51.2-79.8000110.5H1007 G1013 I1015 I1052 P1053 A1054 V1078 L1079H1007-F1011 PolarHBondContact O-N 3Å; F1011-G1013 PolarHBondContact O-N 3.35Å; F1011-I1015 HydrophobicContact CB-CD1 4.35Å; F1011-I1015 HydrophobicContact CB-CG1 4.06Å; F1011-I1015 HydrophobicContact CD1-CD1 3.8Å; F1011-I1015 HydrophobicContact CD1-CG1 3.92Å; F1011-I1015 HydrophobicContact CD2-CD1 3.52Å; F1011-I1015 HydrophobicContact CD2-CG1 4.18Å; F1011-I1015 HydrophobicContact CE1-CD1 3.93Å; F1011-I1015 HydrophobicContact CE1-CG1 4.46Å; F1011-I1015 HydrophobicContact CE2-CD1 3.61Å; F1011-I1015 HydrophobicContact CG-CD1 3.62Å; F1011-I1015 HydrophobicContact CG-CG1 3.79Å; F1011-I1015 HydrophobicContact CZ-CD1 3.84Å; F1011-I1052 HydrophobicContact CD1-CG2 4.32Å; F1011-P1053 HydrophobicContact CD1-CG 4.09Å; F1011-P1053 HydrophobicContact CE1-CG 3.89Å; F1011-A1054 HydrophobicContact CD1-CB 4.23Å; F1011-A1054 HydrophobicContact CE1-CB 3.48Å; F1011-A1054 VanDerWaalsContact CE1-CB 3.48Å; F1011-A1054 HydrophobicContact CZ-CB 4.11Å; F1011-V1078 HydrophobicContact CE2-CB 4.39Å; F1011-V1078 HydrophobicContact CE2-CG1 3.87Å; F1011-L1079 HydrophobicContact CZ-CB 4.19Å
1012Y95.1Very high95.4Very high65 Ų6533.7 Ų33.726%0.25518%0.182SC..SBendtrans-82.162.5-178.3-163.9-133.8000112.7Q1051 L1104 D1105 Y1108Y1012-Q1051 PolarHBondContact N-O 3.27Å; Y1012-L1104 HydrophobicContact CD2-CD2 4.07Å; Y1012-L1104 HydrophobicContact CD2-CG 4.05Å; Y1012-L1104 HydrophobicContact CE2-CD2 4.15Å; Y1012-L1104 HydrophobicContact CE2-CG 4.2Å; Y1012-D1105 WeakPolarHBondContact CE2-OD1 3.41Å; Y1012-D1105 PolarHBondContact OH-OD1 3.08Å; Y1012-Y1108 HydrophobicContact CD1-CD1 4.34Å; Y1012-Y1108 HydrophobicContact CD1-CE1 4.49Å; Y1012-Y1108 VanDerWaalsContact CD2-CB 3.45Å; Y1012-Y1108 AromaticContact CD2-CD1 3.49Å; Y1012-Y1108 HydrophobicContact CD2-CD1 3.49Å; Y1012-Y1108 VanDerWaalsContact CD2-CD1 3.49Å; Y1012-Y1108 HydrophobicContact CD2-CD2 4.1Å; Y1012-Y1108 HydrophobicContact CD2-CE1 4.31Å; Y1012-Y1108 AromaticContact CD2-CG 3.38Å; Y1012-Y1108 HydrophobicContact CD2-CG 3.38Å; Y1012-Y1108 HydrophobicContact CE2-CD1 4.06Å; Y1012-Y1108 HydrophobicContact CE2-CG 4.18Å; Y1012-Y1108 AromaticContact CG-CD1 3.65Å; Y1012-Y1108 HydrophobicContact CG-CD1 3.65Å; Y1012-Y1108 HydrophobicContact CG-CD2 4.22Å; Y1012-Y1108 HydrophobicContact CG-CE1 4Å; Y1012-Y1108 AromaticContact CG-CG 3.79Å; Y1012-Y1108 HydrophobicContact CG-CG 3.79Å
1013G95Very high95.4Very high14 Ų1438 Ų3814%0.14421%0.207CC..SBendtrans126.9-165.7179.800000112.6H1007 F1011H1007-G1013 PolarHBondContact NE2-O 3.49Å; F1011-G1013 PolarHBondContact O-N 3.35Å
1014A96.4Very high95.5Very high32 Ų3242.6 Ų42.626%0.26423%0.231SC..PPolyproline II helixtrans-66.4137.3179.400000111.2D999 L1000 P1016D999-A1014 HydrophobicContact CB-CB 4.36Å; L1000-A1014 CarbonylContact O-C 3.52Å; L1000-A1014 VanDerWaalsContact O-CA 3.3Å; L1000-A1014 WeakPolarHBondContact O-CA 3.41Å; A1014-P1016 WeakPolarHBondContact O-CD 3.49Å
1015I98.1Very high95.6Very high0 Ų042.3 Ų42.30%022%0.221CC..BIsolated β-bridgetrans-78.2118.7173.1-58.2172.8000107.1D999 L1000 F1011 I1052 A1054 L1056 L1079D999-I1015 WeakPolarHBondContact CA-O 3.32Å; L1000-I1015 HydrophobicContact CB-CB 4.23Å; L1000-I1015 HydrophobicContact CD2-CD1 4.13Å; L1000-I1015 PolarHBondContact N-O 2.83Å; L1000-I1015 PolarHBondContact O-N 3.01Å; F1011-I1015 HydrophobicContact CB-CD1 4.35Å; F1011-I1015 HydrophobicContact CB-CG1 4.06Å; F1011-I1015 HydrophobicContact CD1-CD1 3.8Å; F1011-I1015 HydrophobicContact CD1-CG1 3.92Å; F1011-I1015 HydrophobicContact CD2-CD1 3.52Å; F1011-I1015 HydrophobicContact CD2-CG1 4.18Å; F1011-I1015 HydrophobicContact CE1-CD1 3.93Å; F1011-I1015 HydrophobicContact CE1-CG1 4.46Å; F1011-I1015 HydrophobicContact CE2-CD1 3.61Å; F1011-I1015 HydrophobicContact CG-CD1 3.62Å; F1011-I1015 HydrophobicContact CG-CG1 3.79Å; F1011-I1015 HydrophobicContact CZ-CD1 3.84Å; I1015-I1052 HydrophobicContact CG1-CG2 4.35Å; I1015-A1054 HydrophobicContact CD1-CB 4.48Å; I1015-A1054 HydrophobicContact CG2-CB 3.87Å; I1015-L1056 HydrophobicContact CG2-CG 4.46Å; I1015-L1079 HydrophobicContact CD1-CD1 3.41Å; I1015-L1079 VanDerWaalsContact CD1-CD1 3.41Å; I1015-L1079 HydrophobicContact CG2-CD1 4.06Å
1016P98.2Very high95.6Very high0 Ų043.7 Ų43.70%023%0.225CC..PPolyproline II helixtrans-71.9142.7-17029-35.9000111.6D999 A1014 T1041 F1042 R1045 L1047 V1055 L1056D999-P1016 WeakPolarHBondContact OD1-CA 3.34Å; A1014-P1016 WeakPolarHBondContact O-CD 3.49Å; P1016-T1041 HydrophobicContact CB-CG2 4.07Å; P1016-F1042 HydrophobicContact CG-CD2 4.48Å; P1016-F1042 HydrophobicContact CG-CE2 3.68Å; P1016-F1042 HydrophobicContact CG-CZ 3.84Å; P1016-R1045 VanDerWaalsContact CB-NH1 3.28Å; P1016-L1047 HydrophobicContact CB-CD1 3.89Å; P1016-L1047 HydrophobicContact CG-CD1 3.69Å; P1016-V1055 HydrophobicContact CG-CG2 4.21Å; P1016-V1055 WeakPolarHBondContact O-CG2 3.36Å; P1016-L1056 PolarHBondContact O-N 3.1Å
1017C98.4Very high95.6Very high10 Ų1046.7 Ų46.77%0.06824%0.239CC..BIsolated β-bridgetrans-96.7135159.5-166.90000109.4L998 D999 L1056L998-C1017 VanDerWaalsContact C-CB 3.43Å; L998-C1017 WeakPolarHBondContact O-CB 3.3Å; D999-C1017 PolarHBondContact OD1-N 2.72Å; C1017-L1056 CarbonylContact C-O 3.48Å; C1017-L1056 WeakPolarHBondContact CA-O 3.31Å; C1017-L1056 HydrophobicContact CB-CB 4.06Å
1018T98.4Very high95.3Very high4 Ų448.8 Ų48.83%0.02526%0.262CS..PPolyproline II helixtrans-65.5162.7177.9690000110.8V1037 I1038 V1055 L1056 V1057 H1058T1018-V1037 HydrophobicContact CG2-CG1 4.09Å; T1018-I1038 HydrophobicContact CG2-CG1 4.13Å; T1018-V1055 HydrophobicContact CG2-CG2 3.81Å; T1018-L1056 PolarHBondContact N-O 2.94Å; T1018-V1057 HydrophobicContact CG2-CG2 4.21Å; T1018-H1058 WeakPolarHBondContact O-CB 3.37Å; T1018-H1058 PolarHBondContact OG1-N 2.96Å
1019R96.9Very high95.2Very high78 Ų7855.2 Ų55.229%0.29429%0.292SS..PPolyproline II helixtrans-65.3167.6161.361.6166.1175.985.5-0.7110.8E1025 V1037R1019-E1025 IonicContact CZ-OE1 3.33Å; R1019-E1025 IonicContact CZ-OE2 2.89Å; R1019-E1025 IonicContact NH1-OE1 2.72Å; R1019-E1025 PolarHBondContact NH1-OE1 3.23Å; R1019-E1025 IonicContact NH1-OE2 3.08Å; R1019-E1025 PolarHBondContact NH1-OE2 3.12Å; R1019-E1025 IonicContact NH2-OE1 3.97Å; R1019-E1025 PolarHBondContact NH2-OE1 2.77Å; R1019-E1025 IonicContact NH2-OE2 3.01Å; R1019-E1025 PolarHBondContact NH2-OE2 3.36Å; R1019-V1037 HydrophobicContact CG-CG1 4.39Å
1020Q97Very high95.2Very high135 Ų13558 Ų5863%0.63130%0.301SS*.PPolyproline II helixtrans-62.6142.3165.5-66.2-179.6-11.400110.5H1058Q1020-H1058 PolarHBondContact NE2-CE1 3.29Å; Q1020-H1058 PolarHBondContact NE2-NE2 3.09Å
1021M95.6Very high95.3Very high31 Ų3158.9 Ų58.915%0.15331%0.307CS..PPolyproline II helixtrans-68.8143.3170.5-61.7-176.474.900109.8E1025 I1026 Y1030 Q1033 V1037M1021-E1025 WeakPolarHBondContact CA-OE2 3.37Å; M1021-E1025 HydrophobicContact CB-CB 4.27Å; M1021-E1025 HydrophobicContact CE-CB 3.9Å; M1021-I1026 HydrophobicContact CB-CD1 4.19Å; M1021-I1026 HydrophobicContact CB-CG1 3.8Å; M1021-Y1030 HydrophobicContact CE-CD2 4.07Å; M1021-Y1030 HydrophobicContact CE-CE2 4.25Å; M1021-Y1030 HydrophobicContact SD-CD2 4.13Å; M1021-Y1030 HydrophobicContact SD-CE2 3.7Å; M1021-Q1033 HydrophobicContact CE-CB 3.57Å; M1021-V1037 HydrophobicContact CG-CG2 4.23Å
1022T96.3Very high95.3Very high56 Ų5662.2 Ų62.234%0.34432%0.321SS..PPolyproline II helixtrans-74.2162.2174.559.10000110.9E1024 E1025 I1026T1022-E1024 PolarHBondContact O-N 3.35Å; T1022-E1025 PolarHBondContact N-OE2 2.86Å; T1022-E1025 PolarHBondContact O-N 3.39Å; T1022-E1025 WeakPolarHBondContact OG1-CB 3.49Å; T1022-E1025 WeakPolarHBondContact OG1-CG 3.2Å; T1022-E1025 PolarHBondContact OG1-N 3.09Å; T1022-E1025 PolarHBondContact OG1-OE2 2.77Å; T1022-I1026 VanDerWaalsContact O-CG1 3.31Å; T1022-I1026 WeakPolarHBondContact O-CG1 3.22Å; T1022-I1026 PolarHBondContact O-N 3.32Å
1023T94.7Very high95.4Very high95 Ų9561.6 Ų61.658%0.58332%0.32SS*.Hα-helixtrans-60.1-34.3177.7-57.40000111.9N1027T1023-N1027 VanDerWaalsContact CG2-ND2 3.35Å; T1023-N1027 WeakPolarHBondContact CG2-ND2 3.48Å; T1023-N1027 WeakPolarHBondContact O-CB 3.38Å; T1023-N1027 PolarHBondContact O-N 3.03Å; T1023-N1027 VanDerWaalsContact O-N 3.12Å; T1023-N1027 PolarHBondContact O-ND2 3.2Å
1024E94.4Very high95.5Very high144 Ų14461 Ų6167%0.67331%0.314SS*.Hα-helixtrans-69.4-43176.6-6472.6-160.600111.8T1022 I1026 N1027 G1028T1022-E1024 PolarHBondContact O-N 3.35Å; E1024-I1026 VanDerWaalsContact C-N 3.31Å; E1024-I1026 PolarHBondContact O-N 2.92Å; E1024-N1027 PolarHBondContact O-N 3.46Å; E1024-G1028 PolarHBondContact O-N 3.49Å
1025E95.7Very high95.5Very high26 Ų2659.5 Ų59.512%0.12130%0.301CS..Hα-helixtrans-63.8-36.4176.4-73.9163.816000111.9R1019 M1021 T1022 Q1033R1019-E1025 IonicContact CZ-OE1 3.33Å; R1019-E1025 IonicContact CZ-OE2 2.89Å; R1019-E1025 IonicContact NH1-OE1 2.72Å; R1019-E1025 PolarHBondContact NH1-OE1 3.23Å; R1019-E1025 IonicContact NH1-OE2 3.08Å; R1019-E1025 PolarHBondContact NH1-OE2 3.12Å; R1019-E1025 IonicContact NH2-OE1 3.97Å; R1019-E1025 PolarHBondContact NH2-OE1 2.77Å; R1019-E1025 IonicContact NH2-OE2 3.01Å; R1019-E1025 PolarHBondContact NH2-OE2 3.36Å; M1021-E1025 WeakPolarHBondContact CA-OE2 3.37Å; M1021-E1025 HydrophobicContact CB-CB 4.27Å; M1021-E1025 HydrophobicContact CE-CB 3.9Å; T1022-E1025 PolarHBondContact N-OE2 2.86Å; T1022-E1025 PolarHBondContact O-N 3.39Å; T1022-E1025 WeakPolarHBondContact OG1-CB 3.49Å; T1022-E1025 WeakPolarHBondContact OG1-CG 3.2Å; T1022-E1025 PolarHBondContact OG1-N 3.09Å; T1022-E1025 PolarHBondContact OG1-OE2 2.77Å; E1025-Q1033 HydrophobicContact CB-CB 3.99Å; E1025-Q1033 HydrophobicContact CB-CG 4.22Å; E1025-Q1033 HydrophobicContact CG-CB 4.25Å; E1025-Q1033 HydrophobicContact CG-CG 4.32Å
1026I93.4Very high95.5Very high86 Ų8662.1 Ų62.144%0.44131%0.313SS..Hα-helixtrans-71.9-40.9178.6-66164.9000112.1M1021 T1022 E1024M1021-I1026 HydrophobicContact CB-CD1 4.19Å; M1021-I1026 HydrophobicContact CB-CG1 3.8Å; T1022-I1026 VanDerWaalsContact O-CG1 3.31Å; T1022-I1026 WeakPolarHBondContact O-CG1 3.22Å; T1022-I1026 PolarHBondContact O-N 3.32Å; E1024-I1026 VanDerWaalsContact C-N 3.31Å; E1024-I1026 PolarHBondContact O-N 2.92Å
1027N91.6Very high95.5Very high129 Ų12962.1 Ų62.169%0.6931%0.313SS*.Hα-helixtrans-85.2-8.3-177.4-69.1-53.1000113.8T1023 E1024T1023-N1027 VanDerWaalsContact CG2-ND2 3.35Å; T1023-N1027 WeakPolarHBondContact CG2-ND2 3.48Å; T1023-N1027 WeakPolarHBondContact O-CB 3.38Å; T1023-N1027 PolarHBondContact O-N 3.03Å; T1023-N1027 VanDerWaalsContact O-N 3.12Å; T1023-N1027 PolarHBondContact O-ND2 3.2Å; E1024-N1027 PolarHBondContact O-N 3.46Å
1028G89.1Confident95.5Very high50 Ų5061.7 Ų61.752%0.51531%0.31SS..SBendtrans-88.6-141.7175.400000112.6E1024 Y1030E1024-G1028 PolarHBondContact O-N 3.49Å; G1028-Y1030 VanDerWaalsContact C-N 3.27Å; G1028-Y1030 PolarHBondContact O-N 3.19Å
1029E91.5Very high95.5Very high135 Ų13561.5 Ų61.563%0.63131%0.309SS*.  trans-77.377.7171.5-64.7-172.5171.600110.1E1031 Y1032 Q1033E1029-E1031 VanDerWaalsContact C-N 3.32Å; E1029-E1031 PolarHBondContact O-N 2.7Å; E1029-Y1032 PolarHBondContact O-N 2.82Å; E1029-Q1033 WeakPolarHBondContact O-CB 3.41Å; E1029-Q1033 VanDerWaalsContact O-CG 3.29Å; E1029-Q1033 WeakPolarHBondContact O-CG 3.47Å; E1029-Q1033 PolarHBondContact O-N 3.36Å
1030Y92.6Very high95.5Very high81 Ų8161.9 Ų61.932%0.31831%0.313SS..Hα-helixtrans-46.1-48.9-171.8171.7-106.9000114.1M1021 G1028 Q1033 T1034M1021-Y1030 HydrophobicContact CE-CD2 4.07Å; M1021-Y1030 HydrophobicContact CE-CE2 4.25Å; M1021-Y1030 HydrophobicContact SD-CD2 4.13Å; M1021-Y1030 HydrophobicContact SD-CE2 3.7Å; G1028-Y1030 VanDerWaalsContact C-N 3.27Å; G1028-Y1030 PolarHBondContact O-N 3.19Å; Y1030-Q1033 PolarHBondContact O-N 3.21Å; Y1030-T1034 PolarHBondContact O-N 3.01Å; Y1030-T1034 PolarHBondContact O-OG1 2.82Å
1031E96.2Very high95.5Very high65 Ų6555.9 Ų55.930%0.30429%0.286SS..Hα-helixtrans-69.1-42.9-178.7-62.685.5173.900111.5S964 P967 T968 E1029 Q1033 T1034 G1035S964-E1031 WeakPolarHBondContact O-CG 3.2Å; P967-E1031 HydrophobicContact CB-CB 4.16Å; P967-E1031 HydrophobicContact CG-CB 4.1Å; T968-E1031 PolarHBondContact OG1-O 3.05Å; E1029-E1031 VanDerWaalsContact C-N 3.32Å; E1029-E1031 PolarHBondContact O-N 2.7Å; E1031-Q1033 VanDerWaalsContact C-N 3.33Å; E1031-Q1033 PolarHBondContact O-N 2.92Å; E1031-T1034 VanDerWaalsContact O-CB 3.3Å; E1031-T1034 WeakPolarHBondContact O-CB 3.47Å; E1031-T1034 PolarHBondContact O-N 3.27Å; E1031-G1035 PolarHBondContact O-N 3.35Å
1032Y96Very high95.7Very high71 Ų7154.5 Ų54.528%0.27828%0.279SS..Hα-helixtrans-62.1-42.7174.8176.4-107.1000111.5A971 E1029 T1034 G1035 E1036A971-Y1032 HydrophobicContact CB-CD2 4.18Å; A971-Y1032 HydrophobicContact CB-CE2 3.99Å; E1029-Y1032 PolarHBondContact O-N 2.82Å; Y1032-T1034 VanDerWaalsContact C-N 3.26Å; Y1032-T1034 PolarHBondContact O-N 2.98Å; Y1032-G1035 WeakPolarHBondContact O-CA 3.22Å; Y1032-G1035 PolarHBondContact O-N 2.57Å; Y1032-G1035 VanDerWaalsContact O-N 3.07Å; Y1032-E1036 HydrophobicContact CD1-CG 4.29Å; Y1032-E1036 HydrophobicContact CE1-CG 3.7Å; Y1032-E1036 HydrophobicContact CE2-CG 4.36Å; Y1032-E1036 PolarHBondContact O-N 3.07Å; Y1032-E1036 VanDerWaalsContact O-N 3.1Å; Y1032-E1036 PolarHBondContact OH-OE1 3.2Å
1033Q97.1Very high95.7Very high52 Ų5256.8 Ų56.824%0.24329%0.285CS..Hα-helixtrans-66.1-28.5177.7-65.6-60.8-25.200112.4M1021 E1025 E1029 Y1030 E1031 G1035 E1036 V1037M1021-Q1033 HydrophobicContact CE-CB 3.57Å; E1025-Q1033 HydrophobicContact CB-CB 3.99Å; E1025-Q1033 HydrophobicContact CB-CG 4.22Å; E1025-Q1033 HydrophobicContact CG-CB 4.25Å; E1025-Q1033 HydrophobicContact CG-CG 4.32Å; E1029-Q1033 WeakPolarHBondContact O-CB 3.41Å; E1029-Q1033 VanDerWaalsContact O-CG 3.29Å; E1029-Q1033 WeakPolarHBondContact O-CG 3.47Å; E1029-Q1033 PolarHBondContact O-N 3.36Å; Y1030-Q1033 PolarHBondContact O-N 3.21Å; E1031-Q1033 VanDerWaalsContact C-N 3.33Å; E1031-Q1033 PolarHBondContact O-N 2.92Å; Q1033-G1035 VanDerWaalsContact C-N 3.31Å; Q1033-G1035 PolarHBondContact O-N 2.59Å; Q1033-E1036 PolarHBondContact O-N 2.96Å; Q1033-V1037 WeakPolarHBondContact O-CB 3.35Å; Q1033-V1037 VanDerWaalsContact O-CG2 3.26Å; Q1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; Q1033-V1037 PolarHBondContact O-N 3.23Å
1034T97.6Very high95.8Very high2 Ų258.6 Ų58.61%0.01229%0.287CS..Hα-helixtrans-59.3-45.1170.7-60.70000110.4T968 Y1030 E1031 Y1032 V1037 I1038 V1057 F1063T968-T1034 HydrophobicContact CG2-CG2 4.15Å; Y1030-T1034 PolarHBondContact O-N 3.01Å; Y1030-T1034 PolarHBondContact O-OG1 2.82Å; E1031-T1034 VanDerWaalsContact O-CB 3.3Å; E1031-T1034 WeakPolarHBondContact O-CB 3.47Å; E1031-T1034 PolarHBondContact O-N 3.27Å; Y1032-T1034 VanDerWaalsContact C-N 3.26Å; Y1032-T1034 PolarHBondContact O-N 2.98Å; T1034-V1037 PolarHBondContact O-N 3.45Å; T1034-I1038 HydrophobicContact CG2-CD1 4.41Å; T1034-I1038 WeakPolarHBondContact O-CG1 3.28Å; T1034-I1038 PolarHBondContact O-N 3.34Å; T1034-I1038 VanDerWaalsContact O-N 3.13Å; T1034-V1057 HydrophobicContact CG2-CG1 4.22Å; T1034-V1057 HydrophobicContact CG2-CG2 4.46Å; T1034-F1063 HydrophobicContact CG2-CE2 4.31Å
1035G97.3Very high95.9Very high0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-61.2-46.6174.100000113E1031 Y1032 Q1033 V1037 I1038 I1039E1031-G1035 PolarHBondContact O-N 3.35Å; Y1032-G1035 WeakPolarHBondContact O-CA 3.22Å; Y1032-G1035 PolarHBondContact O-N 2.57Å; Y1032-G1035 VanDerWaalsContact O-N 3.07Å; Q1033-G1035 VanDerWaalsContact C-N 3.31Å; Q1033-G1035 PolarHBondContact O-N 2.59Å; G1035-V1037 VanDerWaalsContact C-N 3.34Å; G1035-V1037 PolarHBondContact O-N 3.42Å; G1035-I1038 WeakPolarHBondContact O-CB 3.47Å; G1035-I1038 PolarHBondContact O-N 2.98Å; G1035-I1039 VanDerWaalsContact O-CG1 3.3Å; G1035-I1039 WeakPolarHBondContact O-CG1 3.21Å; G1035-I1039 PolarHBondContact O-N 3.38Å
1036E97.5Very high95.9Very high55 Ų5558.6 Ų58.626%0.25730%0.302SS..Hα-helixtrans-62.9-37.6178.2-69.6-63.6130.500112.8Y1032 Q1033 I1039 K1040Y1032-E1036 HydrophobicContact CD1-CG 4.29Å; Y1032-E1036 HydrophobicContact CE1-CG 3.7Å; Y1032-E1036 HydrophobicContact CE2-CG 4.36Å; Y1032-E1036 PolarHBondContact O-N 3.07Å; Y1032-E1036 VanDerWaalsContact O-N 3.1Å; Y1032-E1036 PolarHBondContact OH-OE1 3.2Å; Q1033-E1036 PolarHBondContact O-N 2.96Å; E1036-I1039 PolarHBondContact O-N 2.88Å; E1036-K1040 VanDerWaalsContact O-CB 3.24Å; E1036-K1040 WeakPolarHBondContact O-CB 3.32Å; E1036-K1040 PolarHBondContact O-N 3.03Å
1037V97.7Very high96Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-66.9-38.2176.2168.50000111.5T1018 R1019 M1021 Q1033 T1034 G1035 T1041T1018-V1037 HydrophobicContact CG2-CG1 4.09Å; R1019-V1037 HydrophobicContact CG-CG1 4.39Å; M1021-V1037 HydrophobicContact CG-CG2 4.23Å; Q1033-V1037 WeakPolarHBondContact O-CB 3.35Å; Q1033-V1037 VanDerWaalsContact O-CG2 3.26Å; Q1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; Q1033-V1037 PolarHBondContact O-N 3.23Å; T1034-V1037 PolarHBondContact O-N 3.45Å; G1035-V1037 VanDerWaalsContact C-N 3.34Å; G1035-V1037 PolarHBondContact O-N 3.42Å; V1037-T1041 WeakPolarHBondContact O-CB 3.36Å; V1037-T1041 PolarHBondContact O-N 3.44Å; V1037-T1041 PolarHBondContact O-OG1 3.46Å
1038I98.3Very high96.2Very high0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-61.8-51.9172-67.8164.4000109.8T968 L972 T1018 T1034 G1035 K1040 T1041 F1042 V1055 V1057 F1063 W1065T968-I1038 HydrophobicContact CG2-CD1 4.25Å; L972-I1038 HydrophobicContact CD2-CB 4.38Å; L972-I1038 HydrophobicContact CD2-CG2 3.85Å; T1018-I1038 HydrophobicContact CG2-CG1 4.13Å; T1034-I1038 HydrophobicContact CG2-CD1 4.41Å; T1034-I1038 WeakPolarHBondContact O-CG1 3.28Å; T1034-I1038 PolarHBondContact O-N 3.34Å; T1034-I1038 VanDerWaalsContact O-N 3.13Å; G1035-I1038 WeakPolarHBondContact O-CB 3.47Å; G1035-I1038 PolarHBondContact O-N 2.98Å; I1038-K1040 VanDerWaalsContact C-N 3.35Å; I1038-K1040 PolarHBondContact O-N 3.46Å; I1038-T1041 WeakPolarHBondContact O-CB 3.48Å; I1038-T1041 PolarHBondContact O-N 3.01Å; I1038-T1041 VanDerWaalsContact O-N 3.11Å; I1038-F1042 HydrophobicContact CG2-CD2 4.34Å; I1038-F1042 HydrophobicContact CG2-CE2 4.46Å; I1038-F1042 WeakPolarHBondContact O-CD2 3.49Å; I1038-F1042 PolarHBondContact O-N 3.41Å; I1038-F1042 VanDerWaalsContact O-N 3.12Å; I1038-V1055 HydrophobicContact CD1-CG1 4.03Å; I1038-V1055 HydrophobicContact CG1-CG1 3.97Å; I1038-V1055 HydrophobicContact CG1-CG2 4.48Å; I1038-V1055 HydrophobicContact CG2-CB 4.44Å; I1038-V1055 HydrophobicContact CG2-CG1 3.87Å; I1038-V1055 HydrophobicContact CG2-CG2 4.4Å; I1038-V1057 HydrophobicContact CD1-CG2 3.81Å; I1038-V1057 HydrophobicContact CG1-CG2 3.84Å; I1038-F1063 HydrophobicContact CD1-CB 4.49Å; I1038-F1063 HydrophobicContact CD1-CD2 3.95Å; I1038-F1063 HydrophobicContact CD1-CE2 4.38Å; I1038-F1063 HydrophobicContact CD1-CG 4.14Å; I1038-W1065 HydrophobicContact CG2-CH2 4.4Å; I1038-W1065 HydrophobicContact CG2-CZ3 4.44Å
1039I98.2Very high96.5Very high1 Ų151.4 Ų51.41%0.00525%0.252CS..Hα-helixtrans-55.3-51.8-179.7-71164.6000110.4A971 L972 R975 Y976 G1035 E1036 T1041 F1042 E1043A971-I1039 HydrophobicContact CB-CD1 4.22Å; L972-I1039 HydrophobicContact CD2-CD1 4.46Å; L972-I1039 HydrophobicContact CD2-CG1 3.91Å; R975-I1039 HydrophobicContact CB-CD1 3.84Å; R975-I1039 HydrophobicContact CB-CG1 4.3Å; R975-I1039 HydrophobicContact CG-CD1 3.98Å; R975-I1039 HydrophobicContact CG-CG1 4.15Å; R975-I1039 HydrophobicContact CG-CG2 3.97Å; Y976-I1039 HydrophobicContact CE2-CG1 3.91Å; G1035-I1039 VanDerWaalsContact O-CG1 3.3Å; G1035-I1039 WeakPolarHBondContact O-CG1 3.21Å; G1035-I1039 PolarHBondContact O-N 3.38Å; E1036-I1039 PolarHBondContact O-N 2.88Å; I1039-T1041 VanDerWaalsContact C-N 3.28Å; I1039-T1041 PolarHBondContact O-N 3.15Å; I1039-F1042 PolarHBondContact O-N 3.29Å; I1039-F1042 VanDerWaalsContact O-N 3.09Å; I1039-E1043 HydrophobicContact CG2-CG 4.37Å; I1039-E1043 WeakPolarHBondContact O-CG 3.4Å; I1039-E1043 PolarHBondContact O-N 3.07Å
1040K97.4Very high96.5Very high85 Ų8547.5 Ų47.537%0.3724%0.243SC..Hα-helixtrans-59.8-38179.2-173.9172.6177.3177.20112.2E1036 I1038 F1042 E1043 E1044E1036-K1040 VanDerWaalsContact O-CB 3.24Å; E1036-K1040 WeakPolarHBondContact O-CB 3.32Å; E1036-K1040 PolarHBondContact O-N 3.03Å; I1038-K1040 VanDerWaalsContact C-N 3.35Å; I1038-K1040 PolarHBondContact O-N 3.46Å; K1040-F1042 VanDerWaalsContact C-N 3.34Å; K1040-F1042 PolarHBondContact O-N 3.04Å; K1040-E1043 PolarHBondContact O-N 3.14Å; K1040-E1044 VanDerWaalsContact CE-CD 3.45Å; K1040-E1044 WeakPolarHBondContact CE-OE1 3.33Å; K1040-E1044 HydrophobicContact CG-CG 3.97Å; K1040-E1044 IonicContact NZ-OE1 2.68Å; K1040-E1044 VanDerWaalsContact O-CB 3.3Å; K1040-E1044 WeakPolarHBondContact O-CB 3.4Å; K1040-E1044 VanDerWaalsContact O-CG 3.29Å; K1040-E1044 WeakPolarHBondContact O-CG 3.3Å; K1040-E1044 PolarHBondContact O-N 2.83Å
1041T98.2Very high96.6Very high10 Ų1046.8 Ų46.86%0.06124%0.243CC..Hα-helixtrans-60.3-43.6175.5-60.20000111.5P1016 V1037 I1038 I1039 R1045P1016-T1041 HydrophobicContact CB-CG2 4.07Å; V1037-T1041 WeakPolarHBondContact O-CB 3.36Å; V1037-T1041 PolarHBondContact O-N 3.44Å; V1037-T1041 PolarHBondContact O-OG1 3.46Å; I1038-T1041 WeakPolarHBondContact O-CB 3.48Å; I1038-T1041 PolarHBondContact O-N 3.01Å; I1038-T1041 VanDerWaalsContact O-N 3.11Å; I1039-T1041 VanDerWaalsContact C-N 3.28Å; I1039-T1041 PolarHBondContact O-N 3.15Å; T1041-R1045 VanDerWaalsContact O-CB 3.25Å; T1041-R1045 WeakPolarHBondContact O-CB 3.49Å; T1041-R1045 WeakPolarHBondContact O-CD 3.13Å; T1041-R1045 WeakPolarHBondContact O-CG 3.4Å; T1041-R1045 PolarHBondContact O-N 3.33Å
1042F98.1Very high96.6Very high1 Ų144 Ų440%0.00423%0.23CC..Hα-helixtrans-69.1-44.2178-87.3-107.1000111.9P1016 I1038 I1039 K1040 R1045 G1046 L1047 P1049 I1052 V1055 W1065P1016-F1042 HydrophobicContact CG-CD2 4.48Å; P1016-F1042 HydrophobicContact CG-CE2 3.68Å; P1016-F1042 HydrophobicContact CG-CZ 3.84Å; I1038-F1042 HydrophobicContact CG2-CD2 4.34Å; I1038-F1042 HydrophobicContact CG2-CE2 4.46Å; I1038-F1042 WeakPolarHBondContact O-CD2 3.49Å; I1038-F1042 PolarHBondContact O-N 3.41Å; I1038-F1042 VanDerWaalsContact O-N 3.12Å; I1039-F1042 PolarHBondContact O-N 3.29Å; I1039-F1042 VanDerWaalsContact O-N 3.09Å; K1040-F1042 VanDerWaalsContact C-N 3.34Å; K1040-F1042 PolarHBondContact O-N 3.04Å; F1042-R1045 PolarHBondContact O-N 3Å; F1042-G1046 PolarHBondContact O-N 3.5Å; F1042-L1047 HydrophobicContact CB-CB 4.43Å; F1042-L1047 HydrophobicContact CD1-CB 3.54Å; F1042-L1047 HydrophobicContact CD1-CD1 4.5Å; F1042-L1047 HydrophobicContact CE1-CB 3.97Å; F1042-L1047 HydrophobicContact CG-CB 4.15Å; F1042-L1047 PolarHBondContact O-N 3.36Å; F1042-P1049 HydrophobicContact CD1-CB 4.05Å; F1042-P1049 HydrophobicContact CE1-CB 4.07Å; F1042-I1052 HydrophobicContact CE1-CB 4.32Å; F1042-V1055 HydrophobicContact CE2-CB 3.93Å; F1042-V1055 HydrophobicContact CE2-CG2 4.05Å; F1042-W1065 HydrophobicContact CE1-CH2 4.32Å; F1042-W1065 AromaticContact CE1-CZ2 3.91Å; F1042-W1065 HydrophobicContact CE1-CZ2 3.91Å; F1042-W1065 AromaticContact CE2-CH2 3.71Å; F1042-W1065 HydrophobicContact CE2-CH2 3.71Å; F1042-W1065 HydrophobicContact CE2-CZ2 4.14Å; F1042-W1065 AromaticContact CZ-CH2 3.56Å; F1042-W1065 HydrophobicContact CZ-CH2 3.56Å; F1042-W1065 AromaticContact CZ-CZ2 3.56Å; F1042-W1065 HydrophobicContact CZ-CZ2 3.56Å
1043E97.2Very high96.7Very high104 Ų10441.1 Ų41.149%0.48622%0.22SC..Hα-helixtrans-65.7-49.6-179.3-67.9-170118.400112.8R975 I1039 K1040 R1045 G1046R975-E1043 IonicContact CZ-OE1 3.39Å; R975-E1043 IonicContact CZ-OE2 2.73Å; R975-E1043 IonicContact NH1-OE1 3.36Å; R975-E1043 PolarHBondContact NH1-OE1 3.16Å; R975-E1043 IonicContact NH1-OE2 3.68Å; R975-E1043 PolarHBondContact NH1-OE2 3.35Å; R975-E1043 IonicContact NH2-OE1 3.37Å; R975-E1043 PolarHBondContact NH2-OE1 3.49Å; R975-E1043 IonicContact NH2-OE2 3.54Å; R975-E1043 PolarHBondContact NH2-OE2 2.96Å; I1039-E1043 HydrophobicContact CG2-CG 4.37Å; I1039-E1043 WeakPolarHBondContact O-CG 3.4Å; I1039-E1043 PolarHBondContact O-N 3.07Å; K1040-E1043 PolarHBondContact O-N 3.14Å; E1043-R1045 PolarHBondContact O-N 2.84Å; E1043-G1046 PolarHBondContact O-N 2.94Å; E1043-G1046 VanDerWaalsContact O-N 3.11Å
1044E96.9Very high96.8Very high133 Ų13338.7 Ų38.762%0.62121%0.208SC*.Hα-helixtrans-64.9-27.9-178.3-70.8-178.7155.300112.2K1040K1040-E1044 VanDerWaalsContact CE-CD 3.45Å; K1040-E1044 WeakPolarHBondContact CE-OE1 3.33Å; K1040-E1044 HydrophobicContact CG-CG 3.97Å; K1040-E1044 IonicContact NZ-OE1 2.68Å; K1040-E1044 VanDerWaalsContact O-CB 3.3Å; K1040-E1044 WeakPolarHBondContact O-CB 3.4Å; K1040-E1044 VanDerWaalsContact O-CG 3.29Å; K1040-E1044 WeakPolarHBondContact O-CG 3.3Å; K1040-E1044 PolarHBondContact O-N 2.83Å
1045R96.9Very high96.8Very high102 Ų10238.6 Ų38.639%0.38521%0.208SC..THydrogen-bonded Turntrans-94.3-2.4178.1-64.3178.561159.91.3113.5D999 P1016 T1041 F1042 E1043 L1047D999-R1045 VanDerWaalsContact CG-NH1 3.26Å; D999-R1045 IonicContact OD1-CZ 3.02Å; D999-R1045 IonicContact OD1-NH1 2.83Å; D999-R1045 PolarHBondContact OD1-NH1 2.89Å; D999-R1045 IonicContact OD2-CZ 3.7Å; D999-R1045 IonicContact OD2-NH1 2.71Å; D999-R1045 PolarHBondContact OD2-NH1 3.35Å; D999-R1045 IonicContact OD2-NH2 2.64Å; D999-R1045 PolarHBondContact OD2-NH2 3.22Å; P1016-R1045 VanDerWaalsContact CB-NH1 3.28Å; T1041-R1045 VanDerWaalsContact O-CB 3.25Å; T1041-R1045 WeakPolarHBondContact O-CB 3.49Å; T1041-R1045 WeakPolarHBondContact O-CD 3.13Å; T1041-R1045 WeakPolarHBondContact O-CG 3.4Å; T1041-R1045 PolarHBondContact O-N 3.33Å; F1042-R1045 PolarHBondContact O-N 3Å; E1043-R1045 PolarHBondContact O-N 2.84Å; R1045-L1047 VanDerWaalsContact C-N 3.28Å; R1045-L1047 HydrophobicContact CB-CD1 3.95Å; R1045-L1047 HydrophobicContact CB-CD2 4.36Å; R1045-L1047 HydrophobicContact CB-CG 3.71Å; R1045-L1047 PolarHBondContact O-N 2.88Å
1046G95.2Very high96.9Very high69 Ų6938.6 Ų38.671%0.71121%0.208SC*.THydrogen-bonded Turntrans60.734.9-178.100000113.6F1042 E1043F1042-G1046 PolarHBondContact O-N 3.5Å; E1043-G1046 PolarHBondContact O-N 2.94Å; E1043-G1046 VanDerWaalsContact O-N 3.11Å
1047L95.8Very high96.9Very high41 Ų4136.1 Ų36.122%0.21520%0.196CC..  trans-89.5141.8-178.5-57.1178.2000110.7P1016 F1042 R1045 I1052P1016-L1047 HydrophobicContact CB-CD1 3.89Å; P1016-L1047 HydrophobicContact CG-CD1 3.69Å; F1042-L1047 HydrophobicContact CB-CB 4.43Å; F1042-L1047 HydrophobicContact CD1-CB 3.54Å; F1042-L1047 HydrophobicContact CD1-CD1 4.5Å; F1042-L1047 HydrophobicContact CE1-CB 3.97Å; F1042-L1047 HydrophobicContact CG-CB 4.15Å; F1042-L1047 PolarHBondContact O-N 3.36Å; R1045-L1047 VanDerWaalsContact C-N 3.28Å; R1045-L1047 HydrophobicContact CB-CD1 3.95Å; R1045-L1047 HydrophobicContact CB-CD2 4.36Å; R1045-L1047 HydrophobicContact CB-CG 3.71Å; R1045-L1047 PolarHBondContact O-N 2.88Å; L1047-I1052 HydrophobicContact CB-CD1 4.48Å; L1047-I1052 HydrophobicContact CD1-CD1 4.44Å; L1047-I1052 HydrophobicContact CD2-CD1 3.92Å; L1047-I1052 HydrophobicContact CG-CD1 4.5Å
1048N94.6Very high96.9Very high66 Ų6638 Ų3835%0.35321%0.205SC..  trans-93.5117.6173.3-176.8-21000109.7A1050 Q1051 I1052N1048-A1050 PolarHBondContact O-N 2.95Å; N1048-A1050 VanDerWaalsContact OD1-CB 3.32Å; N1048-A1050 WeakPolarHBondContact OD1-CB 3.17Å; N1048-A1050 PolarHBondContact OD1-N 2.78Å; N1048-Q1051 HydrophobicContact CB-CB 4.08Å; N1048-Q1051 HydrophobicContact CB-CG 3.95Å; N1048-Q1051 PolarHBondContact O-N 3.04Å; N1048-I1052 PolarHBondContact O-N 2.91Å
1049P95.5Very high96.8Very high6 Ų642 Ų424%0.03923%0.233CC..THydrogen-bonded Turntrans-64.7-24.4-179.726.6-33.5000113.4Y976 E978 F1042 Q1051 I1052 P1053 W1065Y976-P1049 HydrophobicContact CD1-CG 3.55Å; Y976-P1049 HydrophobicContact CD2-CG 4.36Å; Y976-P1049 HydrophobicContact CE1-CG 3.72Å; Y976-P1049 HydrophobicContact CE2-CG 4.49Å; Y976-P1049 HydrophobicContact CG-CB 4.5Å; Y976-P1049 HydrophobicContact CG-CG 3.89Å; E978-P1049 WeakPolarHBondContact OE1-CG 3.24Å; F1042-P1049 HydrophobicContact CD1-CB 4.05Å; F1042-P1049 HydrophobicContact CE1-CB 4.07Å; P1049-Q1051 VanDerWaalsContact C-N 3.29Å; P1049-I1052 CarbonylContact O-C 3.51Å; P1049-P1053 WeakPolarHBondContact O-CA 3.42Å; P1049-W1065 HydrophobicContact CB-CZ2 3.75Å; P1049-W1065 PolarHBondContact O-NE1 3.29Å
1050A92.9Very high96.6Very high54 Ų5443.4 Ų43.445%0.44624%0.24SC..THydrogen-bonded Turntrans-69.9-28.2170.800000112.5E978 N1048E978-A1050 HydrophobicContact CG-CB 4.3Å; N1048-A1050 PolarHBondContact O-N 2.95Å; N1048-A1050 VanDerWaalsContact OD1-CB 3.32Å; N1048-A1050 WeakPolarHBondContact OD1-CB 3.17Å; N1048-A1050 PolarHBondContact OD1-N 2.78Å
1051Q94.4Very high96.5Very high66 Ų6639.3 Ų39.331%0.30822%0.222SC..THydrogen-bonded Turntrans-91.4-23.4-178.8-62.4-176.1-45.400113.9Y1012 N1048 P1049 Y1108Y1012-Q1051 PolarHBondContact N-O 3.27Å; N1048-Q1051 HydrophobicContact CB-CB 4.08Å; N1048-Q1051 HydrophobicContact CB-CG 3.95Å; N1048-Q1051 PolarHBondContact O-N 3.04Å; P1049-Q1051 VanDerWaalsContact C-N 3.29Å; Q1051-Y1108 VanDerWaalsContact CA-OH 3.28Å; Q1051-Y1108 WeakPolarHBondContact CA-OH 3.32Å; Q1051-Y1108 HydrophobicContact CG-CE1 4.36Å
1052I96.9Very high96.5Very high7 Ų739 Ų394%0.03622%0.22CC..SBendtrans-129.379.7175.3-51.8178000107.4F1011 I1015 F1042 L1047 N1048 P1049 A1054 W1065F1011-I1052 HydrophobicContact CD1-CG2 4.32Å; I1015-I1052 HydrophobicContact CG1-CG2 4.35Å; F1042-I1052 HydrophobicContact CE1-CB 4.32Å; L1047-I1052 HydrophobicContact CB-CD1 4.48Å; L1047-I1052 HydrophobicContact CD1-CD1 4.44Å; L1047-I1052 HydrophobicContact CD2-CD1 3.92Å; L1047-I1052 HydrophobicContact CG-CD1 4.5Å; N1048-I1052 PolarHBondContact O-N 2.91Å; P1049-I1052 CarbonylContact O-C 3.51Å; I1052-A1054 PolarHBondContact O-N 2.87Å; I1052-W1065 WeakPolarHBondContact O-CZ2 3.21Å
1053P97.6Very high96.5Very high10 Ų1039 Ų397%0.06522%0.22CC..  trans-76.737.1-173.130.9-37.6000114.8F1011 P1049 A1064 W1065 N1075F1011-P1053 HydrophobicContact CD1-CG 4.09Å; F1011-P1053 HydrophobicContact CE1-CG 3.89Å; P1049-P1053 WeakPolarHBondContact O-CA 3.42Å; P1053-A1064 WeakPolarHBondContact O-CA 3.47Å; P1053-W1065 WeakPolarHBondContact CB-O 3.43Å; P1053-W1065 PolarHBondContact O-N 2.88Å; P1053-N1075 HydrophobicContact CG-CB 4.47Å
1054A98.2Very high96.6Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-157.6155.8179.500000112.6F1011 I1015 I1052 F1063 A1064 L1079F1011-A1054 HydrophobicContact CD1-CB 4.23Å; F1011-A1054 HydrophobicContact CE1-CB 3.48Å; F1011-A1054 VanDerWaalsContact CE1-CB 3.48Å; F1011-A1054 HydrophobicContact CZ-CB 4.11Å; I1015-A1054 HydrophobicContact CD1-CB 4.48Å; I1015-A1054 HydrophobicContact CG2-CB 3.87Å; I1052-A1054 PolarHBondContact O-N 2.87Å; A1054-F1063 CarbonylContact C-O 3.58Å; A1054-F1063 VanDerWaalsContact CA-O 3.3Å; A1054-F1063 WeakPolarHBondContact CA-O 3.34Å; A1054-A1064 HydrophobicContact CB-CB 4.41Å; A1054-L1079 HydrophobicContact CB-CD1 4.32Å; A1054-L1079 HydrophobicContact CB-CD2 3.99Å
1055V98.6Very high96.7Very high0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-147.7147.3173.866.10000110.1P1016 T1018 I1038 F1042 P1062 F1063 W1065P1016-V1055 HydrophobicContact CG-CG2 4.21Å; P1016-V1055 WeakPolarHBondContact O-CG2 3.36Å; T1018-V1055 HydrophobicContact CG2-CG2 3.81Å; I1038-V1055 HydrophobicContact CD1-CG1 4.03Å; I1038-V1055 HydrophobicContact CG1-CG1 3.97Å; I1038-V1055 HydrophobicContact CG1-CG2 4.48Å; I1038-V1055 HydrophobicContact CG2-CB 4.44Å; I1038-V1055 HydrophobicContact CG2-CG1 3.87Å; I1038-V1055 HydrophobicContact CG2-CG2 4.4Å; F1042-V1055 HydrophobicContact CE2-CB 3.93Å; F1042-V1055 HydrophobicContact CE2-CG2 4.05Å; V1055-P1062 VanDerWaalsContact O-CA 3.3Å; V1055-P1062 WeakPolarHBondContact O-CA 3.37Å; V1055-F1063 HydrophobicContact CG1-CB 3.79Å; V1055-F1063 PolarHBondContact N-O 2.9Å; V1055-F1063 PolarHBondContact O-N 2.82Å; V1055-W1065 HydrophobicContact CB-CH2 4.09Å; V1055-W1065 HydrophobicContact CB-CZ3 4.26Å; V1055-W1065 HydrophobicContact CG1-CH2 4.01Å; V1055-W1065 HydrophobicContact CG1-CZ3 3.7Å
1056L98.6Very high96.6Very high1 Ų123.5 Ų23.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-100.6125.7169.5-57.2177.9000108.4A990 W993 S994 L1000 I1015 P1016 C1017 T1018 P1062 L1079A990-L1056 HydrophobicContact CB-CD2 4.07Å; W993-L1056 HydrophobicContact CB-CD1 3.58Å; S994-L1056 WeakPolarHBondContact OG-CB 3.22Å; L1000-L1056 HydrophobicContact CB-CD1 4.38Å; I1015-L1056 HydrophobicContact CG2-CG 4.46Å; P1016-L1056 PolarHBondContact O-N 3.1Å; C1017-L1056 CarbonylContact C-O 3.48Å; C1017-L1056 WeakPolarHBondContact CA-O 3.31Å; C1017-L1056 HydrophobicContact CB-CB 4.06Å; T1018-L1056 PolarHBondContact N-O 2.94Å; L1056-P1062 HydrophobicContact CD2-CB 4.13Å; L1056-L1079 HydrophobicContact CD2-CD1 4.26Å; L1056-L1079 HydrophobicContact CD2-CD2 4.4Å
1057V98.2Very high96.6Very high2 Ų227.4 Ų27.41%0.01215%0.151CC..PPolyproline II helixtrans-95.6119.8177.6-178.10000109.5S994 T1018 T1034 I1038 S1059 H1060 G1061 F1063S994-V1057 WeakPolarHBondContact CB-O 3.41Å; T1018-V1057 HydrophobicContact CG2-CG2 4.21Å; T1034-V1057 HydrophobicContact CG2-CG1 4.22Å; T1034-V1057 HydrophobicContact CG2-CG2 4.46Å; I1038-V1057 HydrophobicContact CD1-CG2 3.81Å; I1038-V1057 HydrophobicContact CG1-CG2 3.84Å; V1057-S1059 PolarHBondContact O-N 3.12Å; V1057-H1060 HydrophobicContact CB-CB 3.99Å; V1057-H1060 HydrophobicContact CG1-CB 3.85Å; V1057-H1060 PolarHBondContact O-N 3.25Å; V1057-G1061 WeakPolarHBondContact CB-O 3.46Å; V1057-G1061 PolarHBondContact N-O 3.05Å; V1057-F1063 HydrophobicContact CG2-CD2 3.81Å; V1057-F1063 HydrophobicContact CG2-CE2 4.1Å
1058H97.9Very high96.5Very high41 Ų4129 Ų2919%0.1916%0.16CC..THydrogen-bonded Turntrans-53.3126.8-172.5-167.9-44.7000111.6S994 G997 T1018 Q1020 H1060S994-H1058 WeakPolarHBondContact O-CA 3.4Å; G997-H1058 WeakPolarHBondContact CA-CD2 3.47Å; G997-H1058 WeakPolarHBondContact CA-NE2 3.49Å; T1018-H1058 WeakPolarHBondContact O-CB 3.37Å; T1018-H1058 PolarHBondContact OG1-N 2.96Å; Q1020-H1058 PolarHBondContact NE2-CE1 3.29Å; Q1020-H1058 PolarHBondContact NE2-NE2 3.09Å; H1058-H1060 PolarHBondContact O-N 3.14Å
1059S95.1Very high96.6Very high84 Ų8426 Ų2659%0.58714%0.144SC*.THydrogen-bonded Turntrans62.410.5-177.7-57.80000115.9S994 V1057S994-S1059 PolarHBondContact O-N 3.3Å; V1057-S1059 PolarHBondContact O-N 3.12Å
1060H94.7Very high96.6Very high29 Ų2929 Ų2913%0.13417%0.17CC..SBendtrans-117.4-104.5178-171.5-150.5000110.4H984 H986 V1057 H1058H984-H1060 AromaticContact CE1-CE1 3.63Å; H984-H1060 AromaticContact CE1-NE2 3.98Å; H984-H1060 AromaticContact NE2-CE1 3.69Å; H984-H1060 AromaticContact NE2-NE2 3.82Å; H986-H1060 AromaticContact CE1-CD2 3.46Å; H986-H1060 PolarHBondContact CE1-CD2 2.93Å; H986-H1060 VanDerWaalsContact CE1-CD2 3.46Å; H986-H1060 AromaticContact CE1-NE2 3.62Å; H986-H1060 AromaticContact NE2-CD2 3.92Å; H986-H1060 AromaticContact NE2-NE2 3.6Å; V1057-H1060 HydrophobicContact CB-CB 3.99Å; V1057-H1060 HydrophobicContact CG1-CB 3.85Å; V1057-H1060 PolarHBondContact O-N 3.25Å; H1058-H1060 PolarHBondContact O-N 3.14Å
1061G95.8Very high96.7Very high0 Ų028.5 Ų28.50%016%0.16CC..  trans-162.8-178.7179.300000111.7V1057V1057-G1061 WeakPolarHBondContact CB-O 3.46Å; V1057-G1061 PolarHBondContact N-O 3.05Å
1062P98Very high96.9Very high3 Ų325.4 Ų25.42%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-74.6151.4176.830.9-40000114.1H984 T985 A990 V1055 L1056 L1079H984-P1062 PolarHBondContact ND1-O 3.35Å; T985-P1062 HydrophobicContact CG2-CG 3.78Å; T985-P1062 PolarHBondContact N-O 2.88Å; T985-P1062 WeakPolarHBondContact O-CD 3.35Å; T985-P1062 WeakPolarHBondContact O-CG 3.31Å; A990-P1062 HydrophobicContact CB-CB 4.04Å; A990-P1062 HydrophobicContact CB-CG 3.77Å; V1055-P1062 VanDerWaalsContact O-CA 3.3Å; V1055-P1062 WeakPolarHBondContact O-CA 3.37Å; L1056-P1062 HydrophobicContact CD2-CB 4.13Å; P1062-L1079 HydrophobicContact CB-CD2 3.46Å; P1062-L1079 VanDerWaalsContact CB-CD2 3.46Å; P1062-L1079 HydrophobicContact CG-CD2 4.4Å
1063F98.5Very high97Very high0 Ų025.4 Ų25.40%015%0.145CC..EExtended strand (participates in β ladder)trans-120136.8155.7-73.6-105.1000108.2T968 H969 I982 V983 H984 T1034 I1038 A1054 V1055 V1057 W1065T968-F1063 HydrophobicContact CG2-CD1 4.26Å; T968-F1063 HydrophobicContact CG2-CE1 3.55Å; T968-F1063 HydrophobicContact CG2-CE2 4.42Å; T968-F1063 HydrophobicContact CG2-CZ 3.67Å; H969-F1063 AromaticContact NE2-CE1 3.78Å; I982-F1063 HydrophobicContact CG2-CD1 4.16Å; V983-F1063 WeakPolarHBondContact O-CA 3.44Å; H984-F1063 HydrophobicContact CB-CD1 3.81Å; H984-F1063 HydrophobicContact CB-CE1 3.48Å; H984-F1063 VanDerWaalsContact CB-CE1 3.48Å; H984-F1063 HydrophobicContact CB-CG 4.45Å; H984-F1063 HydrophobicContact CB-CZ 3.86Å; H984-F1063 AromaticContact CE1-CE2 3.76Å; H984-F1063 AromaticContact CE1-CZ 3.95Å; H984-F1063 AromaticContact CG-CE1 3.66Å; H984-F1063 AromaticContact CG-CE2 3.9Å; H984-F1063 AromaticContact CG-CZ 3.46Å; H984-F1063 VanDerWaalsContact CG-CZ 3.46Å; H984-F1063 AromaticContact ND1-CD2 3.7Å; H984-F1063 AromaticContact ND1-CE1 3.87Å; H984-F1063 AromaticContact ND1-CE2 3.27Å; H984-F1063 VanDerWaalsContact ND1-CE2 3.27Å; H984-F1063 WeakPolarHBondContact ND1-CE2 3.21Å; H984-F1063 AromaticContact ND1-CZ 3.35Å; H984-F1063 WeakPolarHBondContact ND1-CZ 3.48Å; T1034-F1063 HydrophobicContact CG2-CE2 4.31Å; I1038-F1063 HydrophobicContact CD1-CB 4.49Å; I1038-F1063 HydrophobicContact CD1-CD2 3.95Å; I1038-F1063 HydrophobicContact CD1-CE2 4.38Å; I1038-F1063 HydrophobicContact CD1-CG 4.14Å; A1054-F1063 CarbonylContact C-O 3.58Å; A1054-F1063 VanDerWaalsContact CA-O 3.3Å; A1054-F1063 WeakPolarHBondContact CA-O 3.34Å; V1055-F1063 HydrophobicContact CG1-CB 3.79Å; V1055-F1063 PolarHBondContact N-O 2.9Å; V1055-F1063 PolarHBondContact O-N 2.82Å; V1057-F1063 HydrophobicContact CG2-CD2 3.81Å; V1057-F1063 HydrophobicContact CG2-CE2 4.1Å; F1063-W1065 HydrophobicContact CB-CZ3 4.37Å
1064A98.4Very high96.9Very high1 Ų129 Ų291%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-128.7152.5172.400000109.2I982 V983 P1053 A1054 N1075 A1076I982-A1064 CarbonylContact C-O 3.53Å; I982-A1064 WeakPolarHBondContact CA-O 3.32Å; V983-A1064 PolarHBondContact N-O 3.2Å; V983-A1064 PolarHBondContact O-N 2.89Å; P1053-A1064 WeakPolarHBondContact O-CA 3.47Å; A1054-A1064 HydrophobicContact CB-CB 4.41Å; A1064-N1075 HydrophobicContact CB-CB 4.36Å; A1064-A1076 HydrophobicContact CB-CB 3.93Å
1065W98.6Very high96.9Very high5 Ų529.6 Ų29.62%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-141.4171-179.651.682.2000111.7I979 G981 I982 I1038 F1042 P1049 I1052 P1053 V1055 F1063 N1075I979-W1065 HydrophobicContact CD1-CB 4.22Å; I979-W1065 HydrophobicContact CD1-CD2 3.9Å; I979-W1065 HydrophobicContact CD1-CG 3.68Å; I979-W1065 HydrophobicContact CG1-CB 4.35Å; I979-W1065 HydrophobicContact CG1-CG 3.99Å; I979-W1065 HydrophobicContact CG2-CB 3.77Å; I979-W1065 HydrophobicContact CG2-CG 4.31Å; G981-W1065 CarbonylContact O-C 3.55Å; G981-W1065 WeakPolarHBondContact O-CA 3.37Å; G981-W1065 WeakPolarHBondContact O-CB 2.97Å; I982-W1065 HydrophobicContact CG1-CB 4.14Å; I1038-W1065 HydrophobicContact CG2-CH2 4.4Å; I1038-W1065 HydrophobicContact CG2-CZ3 4.44Å; F1042-W1065 HydrophobicContact CE1-CH2 4.32Å; F1042-W1065 AromaticContact CE1-CZ2 3.91Å; F1042-W1065 HydrophobicContact CE1-CZ2 3.91Å; F1042-W1065 AromaticContact CE2-CH2 3.71Å; F1042-W1065 HydrophobicContact CE2-CH2 3.71Å; F1042-W1065 HydrophobicContact CE2-CZ2 4.14Å; F1042-W1065 AromaticContact CZ-CH2 3.56Å; F1042-W1065 HydrophobicContact CZ-CH2 3.56Å; F1042-W1065 AromaticContact CZ-CZ2 3.56Å; F1042-W1065 HydrophobicContact CZ-CZ2 3.56Å; P1049-W1065 HydrophobicContact CB-CZ2 3.75Å; P1049-W1065 PolarHBondContact O-NE1 3.29Å; I1052-W1065 WeakPolarHBondContact O-CZ2 3.21Å; P1053-W1065 WeakPolarHBondContact CB-O 3.43Å; P1053-W1065 PolarHBondContact O-N 2.88Å; V1055-W1065 HydrophobicContact CB-CH2 4.09Å; V1055-W1065 HydrophobicContact CB-CZ3 4.26Å; V1055-W1065 HydrophobicContact CG1-CH2 4.01Å; V1055-W1065 HydrophobicContact CG1-CZ3 3.7Å; F1063-W1065 HydrophobicContact CB-CZ3 4.37Å; W1065-N1075 PolarHBondContact O-ND2 3.42Å
1066G96.3Very high96.8Very high8 Ų829.8 Ų29.88%0.08217%0.166CC..EExtended strand (participates in β ladder)trans-165.6-176.6-178.800000111.7G980 G981 N1068 D1071G980-G1066 PolarHBondContact N-O 2.99Å; G981-G1066 PolarHBondContact N-O 2.91Å; G981-G1066 PolarHBondContact O-N 2.83Å; G1066-N1068 PolarHBondContact O-N 3.46Å; G1066-D1071 VanDerWaalsContact CA-OD2 3.22Å; G1066-D1071 WeakPolarHBondContact CA-OD2 3.33Å
1067K94Very high96.8Very high152 Ų15232 Ų3266%0.66118%0.179SC*.SBendtrans-66.6-20.4178.766.8-171169.3-179.40113.5G980 D1071G980-K1067 WeakPolarHBondContact CA-O 3.49Å; K1067-D1071 HydrophobicContact CG-CB 3.86Å; K1067-D1071 PolarHBondContact N-OD2 3.2Å
1068N94.4Very high96.7Very high73 Ų7332.6 Ų32.639%0.3918%0.183SC..SBendtrans-157.4179.5174.960.340.6000110.1G1066 A1070 D1071 A1072G1066-N1068 PolarHBondContact O-N 3.46Å; N1068-A1070 PolarHBondContact O-N 2.92Å; N1068-A1070 PolarHBondContact OD1-N 2.98Å; N1068-D1071 PolarHBondContact O-N 3.38Å; N1068-D1071 WeakPolarHBondContact OD1-CB 3.14Å; N1068-D1071 PolarHBondContact OD1-N 2.95Å; N1068-A1072 PolarHBondContact O-N 3.22Å
1069A96.1Very high96.7Very high3 Ų330.7 Ų30.73%0.02517%0.174CC..Hα-helixtrans-56.6-45.7-176.900000112.9A901 V918 A920 A1072 V1073A901-A1069 HydrophobicContact CB-CB 3.58Å; V918-A1069 HydrophobicContact CG1-CB 4.1Å; A920-A1069 HydrophobicContact CB-CB 3.97Å; A1069-A1072 PolarHBondContact O-N 3.47Å; A1069-V1073 WeakPolarHBondContact O-CG2 3.48Å; A1069-V1073 PolarHBondContact O-N 3.5Å; A1069-V1073 VanDerWaalsContact O-N 3.09Å
1070A94.8Very high96.8Very high69 Ų6927.6 Ų27.657%0.5715%0.151SC*.Hα-helixtrans-66.5-40.7-177.600000112N1068 A1072 V1073 H1074N1068-A1070 PolarHBondContact O-N 2.92Å; N1068-A1070 PolarHBondContact OD1-N 2.98Å; A1070-A1072 VanDerWaalsContact C-N 3.34Å; A1070-V1073 PolarHBondContact O-N 2.94Å; A1070-H1074 PolarHBondContact O-N 3.48Å
1071D96.4Very high97Very high45 Ų4530.8 Ų30.824%0.24117%0.166CC..Hα-helixtrans-65.7-37.4176.5-165.964.6000111.8G1066 K1067 N1068 H1074 N1075G1066-D1071 VanDerWaalsContact CA-OD2 3.22Å; G1066-D1071 WeakPolarHBondContact CA-OD2 3.33Å; K1067-D1071 HydrophobicContact CG-CB 3.86Å; K1067-D1071 PolarHBondContact N-OD2 3.2Å; N1068-D1071 PolarHBondContact O-N 3.38Å; N1068-D1071 WeakPolarHBondContact OD1-CB 3.14Å; N1068-D1071 PolarHBondContact OD1-N 2.95Å; D1071-H1074 WeakPolarHBondContact O-CB 3.45Å; D1071-H1074 PolarHBondContact O-N 3.45Å; D1071-N1075 PolarHBondContact O-N 3.18Å; D1071-N1075 PolarHBondContact O-ND2 3.31Å
1072A98.1Very high97Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-64.8-39.7174.200000112.2G981 V983 N1068 A1069 A1070 N1075 A1076G981-A1072 WeakPolarHBondContact O-CB 3.46Å; V983-A1072 VanDerWaalsContact CG2-C 3.48Å; V983-A1072 HydrophobicContact CG2-CB 3.73Å; N1068-A1072 PolarHBondContact O-N 3.22Å; A1069-A1072 PolarHBondContact O-N 3.47Å; A1070-A1072 VanDerWaalsContact C-N 3.34Å; A1072-N1075 PolarHBondContact O-N 2.92Å; A1072-A1076 PolarHBondContact O-N 3.42Å
1073V98Very high97Very high7 Ų731 Ų314%0.04217%0.167CC..Hα-helixtrans-63.8-42.8172.4174.20000110.8A901 A904 L905 V918 V983 A1069 A1070 N1075 A1076 V1077A901-V1073 HydrophobicContact CB-CG2 3.83Å; A901-V1073 WeakPolarHBondContact O-CG2 3.15Å; A904-V1073 HydrophobicContact CB-CG1 4.01Å; L905-V1073 HydrophobicContact CD2-CG1 4.34Å; L905-V1073 HydrophobicContact CD2-CG2 4.07Å; V918-V1073 HydrophobicContact CG2-CG2 4.12Å; V983-V1073 HydrophobicContact CG2-CB 4.4Å; V983-V1073 HydrophobicContact CG2-CG2 3.7Å; A1069-V1073 WeakPolarHBondContact O-CG2 3.48Å; A1069-V1073 PolarHBondContact O-N 3.5Å; A1069-V1073 VanDerWaalsContact O-N 3.09Å; A1070-V1073 PolarHBondContact O-N 2.94Å; V1073-N1075 VanDerWaalsContact C-N 3.34Å; V1073-N1075 PolarHBondContact O-N 2.76Å; V1073-A1076 WeakPolarHBondContact O-CB 3.5Å; V1073-A1076 PolarHBondContact O-N 3.27Å; V1073-A1076 VanDerWaalsContact O-N 3.17Å; V1073-V1077 WeakPolarHBondContact O-CG2 3.42Å; V1073-V1077 PolarHBondContact O-N 2.96Å
1074H96.3Very high96.9Very high87 Ų8735.5 Ų35.540%0.40318%0.184SC..Hα-helixtrans-55.9-50175.5-169.1118000111Y1010 A1070 D1071 A1076 V1077 V1078Y1010-H1074 AromaticContact CE1-CD2 3.77Å; Y1010-H1074 AromaticContact CE1-NE2 3.28Å; Y1010-H1074 VanDerWaalsContact CE1-NE2 3.28Å; Y1010-H1074 WeakPolarHBondContact CE1-NE2 3.2Å; Y1010-H1074 AromaticContact CZ-NE2 3.79Å; A1070-H1074 PolarHBondContact O-N 3.48Å; D1071-H1074 WeakPolarHBondContact O-CB 3.45Å; D1071-H1074 PolarHBondContact O-N 3.45Å; H1074-A1076 VanDerWaalsContact C-N 3.29Å; H1074-A1076 PolarHBondContact O-N 2.98Å; H1074-V1077 PolarHBondContact O-N 2.95Å; H1074-V1078 WeakPolarHBondContact O-CG2 3.27Å; H1074-V1078 PolarHBondContact O-N 3.31Å
1075N97.5Very high96.8Very high12 Ų1238.8 Ų38.86%0.06420%0.2CC..Hα-helixtrans-63.4-34.2178.8-69.8-28.4000112.4P1053 A1064 W1065 D1071 A1072 V1073 V1078 L1079P1053-N1075 HydrophobicContact CG-CB 4.47Å; A1064-N1075 HydrophobicContact CB-CB 4.36Å; W1065-N1075 PolarHBondContact O-ND2 3.42Å; D1071-N1075 PolarHBondContact O-N 3.18Å; D1071-N1075 PolarHBondContact O-ND2 3.31Å; A1072-N1075 PolarHBondContact O-N 2.92Å; V1073-N1075 VanDerWaalsContact C-N 3.34Å; V1073-N1075 PolarHBondContact O-N 2.76Å; N1075-V1078 PolarHBondContact O-N 2.89Å; N1075-L1079 WeakPolarHBondContact O-CB 2.93Å; N1075-L1079 PolarHBondContact O-N 3.09Å
1076A98.1Very high96.6Very high4 Ų438.7 Ų38.73%0.03320%0.201CC..Hα-helixtrans-65.5-40.6173.700000112.9L910 V983 A1064 A1072 V1073 H1074 L1079 E1080L910-A1076 HydrophobicContact CD1-CB 3.9Å; V983-A1076 HydrophobicContact CB-CB 4.27Å; V983-A1076 HydrophobicContact CG1-CB 3.92Å; A1064-A1076 HydrophobicContact CB-CB 3.93Å; A1072-A1076 PolarHBondContact O-N 3.42Å; V1073-A1076 WeakPolarHBondContact O-CB 3.5Å; V1073-A1076 PolarHBondContact O-N 3.27Å; V1073-A1076 VanDerWaalsContact O-N 3.17Å; H1074-A1076 VanDerWaalsContact C-N 3.29Å; H1074-A1076 PolarHBondContact O-N 2.98Å; A1076-L1079 PolarHBondContact O-N 3.49Å; A1076-E1080 PolarHBondContact O-N 2.94Å
1077V97.7Very high96.5Very high46 Ų4640.9 Ų40.928%0.27921%0.211SC..Hα-helixtrans-62.9-46.5175.1174.50000110.7H908 L910 V1073 H1074 L1079 E1080 E1081H908-V1077 HydrophobicContact CB-CG2 3.78Å; L910-V1077 HydrophobicContact CD1-CG2 3.77Å; L910-V1077 HydrophobicContact CG-CG2 4.4Å; V1073-V1077 WeakPolarHBondContact O-CG2 3.42Å; V1073-V1077 PolarHBondContact O-N 2.96Å; H1074-V1077 PolarHBondContact O-N 2.95Å; V1077-L1079 VanDerWaalsContact C-N 3.34Å; V1077-L1079 PolarHBondContact O-N 2.94Å; V1077-E1080 PolarHBondContact O-N 3.19Å; V1077-E1081 PolarHBondContact O-N 3.4Å
1078V96.3Very high96.5Very high15 Ų1538 Ų389%0.09120%0.198CC..Hα-helixtrans-64.5-40.3179.3-178.80000111.1Y1010 F1011 H1074 N1075 E1081 C1082Y1010-V1078 HydrophobicContact CD1-CG1 4.4Å; Y1010-V1078 HydrophobicContact CD1-CG2 4.07Å; Y1010-V1078 HydrophobicContact CD2-CG1 3.64Å; Y1010-V1078 HydrophobicContact CD2-CG2 4.34Å; Y1010-V1078 HydrophobicContact CE1-CG2 3.98Å; Y1010-V1078 HydrophobicContact CE2-CG1 4.14Å; Y1010-V1078 HydrophobicContact CE2-CG2 4.24Å; Y1010-V1078 HydrophobicContact CG-CB 4.44Å; Y1010-V1078 HydrophobicContact CG-CG1 3.79Å; Y1010-V1078 HydrophobicContact CG-CG2 4.26Å; F1011-V1078 HydrophobicContact CE2-CB 4.39Å; F1011-V1078 HydrophobicContact CE2-CG1 3.87Å; H1074-V1078 WeakPolarHBondContact O-CG2 3.27Å; H1074-V1078 PolarHBondContact O-N 3.31Å; N1075-V1078 PolarHBondContact O-N 2.89Å; V1078-E1081 PolarHBondContact O-N 2.98Å; V1078-C1082 WeakPolarHBondContact O-CB 3.29Å; V1078-C1082 PolarHBondContact O-N 3.04Å; V1078-C1082 PolarHBondContact O-SG 3.31Å
1079L98.1Very high96.5Very high1 Ų136.7 Ų36.71%0.00519%0.194CC..Hα-helixtrans-57.6-48.4174.5170.864.9000111.6A990 L1000 F1011 I1015 A1054 L1056 P1062 N1075 A1076 V1077 E1081 C1082 A1083A990-L1079 HydrophobicContact CB-CD2 4.29Å; A990-L1079 HydrophobicContact CB-CG 4.15Å; L1000-L1079 HydrophobicContact CD2-CD1 4.32Å; F1011-L1079 HydrophobicContact CZ-CB 4.19Å; I1015-L1079 HydrophobicContact CD1-CD1 3.41Å; I1015-L1079 VanDerWaalsContact CD1-CD1 3.41Å; I1015-L1079 HydrophobicContact CG2-CD1 4.06Å; A1054-L1079 HydrophobicContact CB-CD1 4.32Å; A1054-L1079 HydrophobicContact CB-CD2 3.99Å; L1056-L1079 HydrophobicContact CD2-CD1 4.26Å; L1056-L1079 HydrophobicContact CD2-CD2 4.4Å; P1062-L1079 HydrophobicContact CB-CD2 3.46Å; P1062-L1079 VanDerWaalsContact CB-CD2 3.46Å; P1062-L1079 HydrophobicContact CG-CD2 4.4Å; N1075-L1079 WeakPolarHBondContact O-CB 2.93Å; N1075-L1079 PolarHBondContact O-N 3.09Å; A1076-L1079 PolarHBondContact O-N 3.49Å; V1077-L1079 VanDerWaalsContact C-N 3.34Å; V1077-L1079 PolarHBondContact O-N 2.94Å; L1079-E1081 VanDerWaalsContact C-N 3.34Å; L1079-E1081 PolarHBondContact O-N 3.44Å; L1079-C1082 PolarHBondContact O-N 2.81Å; L1079-A1083 VanDerWaalsContact O-CB 3.27Å; L1079-A1083 WeakPolarHBondContact O-CB 3.26Å; L1079-A1083 PolarHBondContact O-N 3.29Å
1080E97.9Very high96.2Very high20 Ų2041.2 Ų41.29%0.09321%0.211CC..Hα-helixtrans-62.2-42-179.7179.764.3-17600111.7L910 S987 R988 H989 A990 A1076 V1077 A1083 Y1084L910-E1080 HydrophobicContact CD2-CB 3.72Å; L910-E1080 HydrophobicContact CD2-CG 3.96Å; S987-E1080 WeakPolarHBondContact CB-OE2 3.49Å; S987-E1080 PolarHBondContact OG-OE2 2.84Å; R988-E1080 PolarHBondContact N-OE1 2.92Å; H989-E1080 WeakPolarHBondContact CB-OE1 3.15Å; H989-E1080 IonicContact CE1-OE1 3.78Å; H989-E1080 IonicContact CG-OE1 2.89Å; H989-E1080 PolarHBondContact N-OE1 3.14Å; H989-E1080 PolarHBondContact N-OE2 2.63Å; H989-E1080 IonicContact ND1-OE1 3.94Å; H989-E1080 PolarHBondContact ND1-OE1 3.12Å; A990-E1080 WeakPolarHBondContact CB-OE2 3.17Å; A990-E1080 PolarHBondContact N-OE2 2.91Å; A1076-E1080 PolarHBondContact O-N 2.94Å; V1077-E1080 PolarHBondContact O-N 3.19Å; E1080-A1083 PolarHBondContact O-N 3.32Å; E1080-Y1084 WeakPolarHBondContact O-CB 3.48Å; E1080-Y1084 PolarHBondContact O-N 3.1Å
1081E97Very high96.1Very high96 Ų9644.6 Ų44.645%0.44922%0.215SC..Hα-helixtrans-68.2-40.4177.6-16958.7-15200111.8V1077 V1078 L1079 A1083 Y1084 M1085V1077-E1081 PolarHBondContact O-N 3.4Å; V1078-E1081 PolarHBondContact O-N 2.98Å; L1079-E1081 VanDerWaalsContact C-N 3.34Å; L1079-E1081 PolarHBondContact O-N 3.44Å; E1081-A1083 VanDerWaalsContact C-N 3.33Å; E1081-A1083 PolarHBondContact O-N 2.84Å; E1081-Y1084 WeakPolarHBondContact O-CB 3.34Å; E1081-Y1084 PolarHBondContact O-N 3.33Å; E1081-M1085 HydrophobicContact CG-CE 4.15Å; E1081-M1085 WeakPolarHBondContact O-CG 3.41Å; E1081-M1085 PolarHBondContact O-N 3.17Å
1082C97Very high96Very high6 Ų649.9 Ų49.94%0.04124%0.242CC..Hα-helixtrans-63.9-40.3173.9-68.40000111.4L1000 V1078 L1079 G1086L1000-C1082 HydrophobicContact CD2-CB 3.86Å; V1078-C1082 WeakPolarHBondContact O-CB 3.29Å; V1078-C1082 PolarHBondContact O-N 3.04Å; V1078-C1082 PolarHBondContact O-SG 3.31Å; L1079-C1082 PolarHBondContact O-N 2.81Å; C1082-G1086 PolarHBondContact O-N 3.08Å
1083A97.5Very high95.9Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-64.8-41.6176.500000111.6H989 A990 W993 L1000 L1079 E1080 E1081 L1087H989-A1083 HydrophobicContact CB-CB 3.89Å; A990-A1083 HydrophobicContact CB-CB 4.22Å; W993-A1083 PolarHBondContact NE1-O 3.48Å; L1000-A1083 HydrophobicContact CD2-CB 4.17Å; L1079-A1083 VanDerWaalsContact O-CB 3.27Å; L1079-A1083 WeakPolarHBondContact O-CB 3.26Å; L1079-A1083 PolarHBondContact O-N 3.29Å; E1080-A1083 PolarHBondContact O-N 3.32Å; E1081-A1083 VanDerWaalsContact C-N 3.33Å; E1081-A1083 PolarHBondContact O-N 2.84Å; A1083-L1087 PolarHBondContact O-N 3.1Å; A1083-L1087 VanDerWaalsContact O-N 3.12Å
1084Y97Very high95.5Very high96 Ų9655.5 Ų55.538%0.37628%0.282SS..Hα-helixtrans-59.1-58.2173.5171.7-105.9000111.1H989 E1080 E1081 G1086 L1087 F1088H989-Y1084 AromaticContact CD2-CD2 3.73Å; H989-Y1084 AromaticContact CE1-CD2 3.6Å; H989-Y1084 AromaticContact NE2-CD2 3.41Å; H989-Y1084 WeakPolarHBondContact NE2-CD2 3.42Å; E1080-Y1084 WeakPolarHBondContact O-CB 3.48Å; E1080-Y1084 PolarHBondContact O-N 3.1Å; E1081-Y1084 WeakPolarHBondContact O-CB 3.34Å; E1081-Y1084 PolarHBondContact O-N 3.33Å; Y1084-G1086 VanDerWaalsContact C-N 3.29Å; Y1084-G1086 PolarHBondContact O-N 3Å; Y1084-L1087 WeakPolarHBondContact O-CB 3.42Å; Y1084-L1087 PolarHBondContact O-N 3.34Å; Y1084-F1088 HydrophobicContact CD2-CD2 4.11Å; Y1084-F1088 AromaticContact CD2-CE2 3.63Å; Y1084-F1088 HydrophobicContact CD2-CE2 3.63Å; Y1084-F1088 HydrophobicContact CE1-CD2 4.49Å; Y1084-F1088 AromaticContact CE2-CD2 3.87Å; Y1084-F1088 HydrophobicContact CE2-CD2 3.87Å; Y1084-F1088 AromaticContact CE2-CE2 3.2Å; Y1084-F1088 HydrophobicContact CE2-CE2 3.2Å; Y1084-F1088 HydrophobicContact CE2-CZ 4.09Å; Y1084-F1088 HydrophobicContact CG-CE2 4.49Å; Y1084-F1088 AromaticContact CZ-CE2 3.72Å; Y1084-F1088 WeakPolarHBondContact O-CD2 3.44Å; Y1084-F1088 PolarHBondContact O-N 3.01Å
1085M96.3Very high95.3Very high70 Ų7060 Ų6035%0.34530%0.303SS..Hα-helixtrans-56.5-45.2179.1-71.3-173.2-69.300111.3T1006 E1081 L1087 F1088 S1089T1006-M1085 HydrophobicContact CG2-CE 4.29Å; E1081-M1085 HydrophobicContact CG-CE 4.15Å; E1081-M1085 WeakPolarHBondContact O-CG 3.41Å; E1081-M1085 PolarHBondContact O-N 3.17Å; M1085-L1087 VanDerWaalsContact C-N 3.28Å; M1085-L1087 PolarHBondContact O-N 2.84Å; M1085-F1088 PolarHBondContact O-N 3.04Å; M1085-S1089 WeakPolarHBondContact O-CB 3.45Å; M1085-S1089 PolarHBondContact O-N 2.83Å; M1085-S1089 PolarHBondContact O-OG 3.31Å
1086G94.1Very high95Very high3 Ų362.6 Ų62.63%0.03132%0.317CS..Hα-helixtrans-59.8-36.1-179.200000113.8W1003 C1082 Y1084 R1090W1003-G1086 VanDerWaalsContact CZ3-O 3.28Å; W1003-G1086 WeakPolarHBondContact CZ3-O 3.44Å; C1082-G1086 PolarHBondContact O-N 3.08Å; Y1084-G1086 VanDerWaalsContact C-N 3.29Å; Y1084-G1086 PolarHBondContact O-N 3Å; G1086-R1090 WeakPolarHBondContact O-CB 3.48Å; G1086-R1090 PolarHBondContact O-N 3.33Å
1087L93.4Very high94.7Very high54 Ų5467.1 Ų67.128%0.28335%0.346SS..Hα-helixtrans-62.2-48.4178.3-132.4149.6000110.9I992 A1083 Y1084 M1085 Q1091I992-L1087 HydrophobicContact CB-CD1 4.14Å; I992-L1087 HydrophobicContact CD1-CD1 4.06Å; I992-L1087 HydrophobicContact CG2-CD1 3.81Å; A1083-L1087 PolarHBondContact O-N 3.1Å; A1083-L1087 VanDerWaalsContact O-N 3.12Å; Y1084-L1087 WeakPolarHBondContact O-CB 3.42Å; Y1084-L1087 PolarHBondContact O-N 3.34Å; M1085-L1087 VanDerWaalsContact C-N 3.28Å; M1085-L1087 PolarHBondContact O-N 2.84Å; L1087-Q1091 WeakPolarHBondContact O-CB 3.08Å; L1087-Q1091 PolarHBondContact O-N 2.98Å
1088F94.4Very high94.5Very high92 Ų9267.9 Ų67.940%0.40436%0.357SS..Hα-helixtrans-73.3-37.2178.2-69.1-77.3000112.7Y1084 M1085 R1090 Q1091 L1092Y1084-F1088 HydrophobicContact CD2-CD2 4.11Å; Y1084-F1088 AromaticContact CD2-CE2 3.63Å; Y1084-F1088 HydrophobicContact CD2-CE2 3.63Å; Y1084-F1088 HydrophobicContact CE1-CD2 4.49Å; Y1084-F1088 AromaticContact CE2-CD2 3.87Å; Y1084-F1088 HydrophobicContact CE2-CD2 3.87Å; Y1084-F1088 AromaticContact CE2-CE2 3.2Å; Y1084-F1088 HydrophobicContact CE2-CE2 3.2Å; Y1084-F1088 HydrophobicContact CE2-CZ 4.09Å; Y1084-F1088 HydrophobicContact CG-CE2 4.49Å; Y1084-F1088 AromaticContact CZ-CE2 3.72Å; Y1084-F1088 WeakPolarHBondContact O-CD2 3.44Å; Y1084-F1088 PolarHBondContact O-N 3.01Å; M1085-F1088 PolarHBondContact O-N 3.04Å; F1088-R1090 VanDerWaalsContact C-N 3.33Å; F1088-R1090 PolarHBondContact O-N 3.47Å; F1088-Q1091 PolarHBondContact O-N 3.34Å; F1088-L1092 WeakPolarHBondContact O-CG 3.44Å; F1088-L1092 PolarHBondContact O-N 3.01Å
1089S94Very high94.5Very high44 Ų4468.3 Ų68.331%0.30836%0.358SS..Hα-helixtrans-59.2-44.1174.2-65.20000111.5M1085 L1092 A1093M1085-S1089 WeakPolarHBondContact O-CB 3.45Å; M1085-S1089 PolarHBondContact O-N 2.83Å; M1085-S1089 PolarHBondContact O-OG 3.31Å; S1089-L1092 PolarHBondContact O-N 3.44Å; S1089-A1093 PolarHBondContact O-N 3.04Å
1090R90.8Very high94.3Very high99 Ų9974.8 Ų74.837%0.37439%0.389SS..Hα-helixtrans-70.8-32.3176.3-164.9176.6-176.6165.6-1.3112.7L998 W1003 G1086 F1088 A1093 P1094L998-R1090 VanDerWaalsContact CD1-NH1 3.34Å; W1003-R1090 HydrophobicContact CH2-CB 3.88Å; W1003-R1090 HydrophobicContact CH2-CG 4.3Å; G1086-R1090 WeakPolarHBondContact O-CB 3.48Å; G1086-R1090 PolarHBondContact O-N 3.33Å; F1088-R1090 VanDerWaalsContact C-N 3.33Å; F1088-R1090 PolarHBondContact O-N 3.47Å; R1090-A1093 CarbonylContact O-C 3.02Å; R1090-P1094 WeakPolarHBondContact O-CA 3.34Å; R1090-P1094 VanDerWaalsContact O-N 3.07Å
1091Q92.7Very high94.1Very high140 Ų14079.3 Ų79.365%0.65441%0.413SS*.Hα-helixtrans-64.8-42173.3-172.4-178.910.100111.7L1087 F1088L1087-Q1091 WeakPolarHBondContact O-CB 3.08Å; L1087-Q1091 PolarHBondContact O-N 2.98Å; F1088-Q1091 PolarHBondContact O-N 3.34Å
1092L94.6Very high94Very high155 Ų15581.2 Ų81.281%0.81242%0.422SS*.Hα-helixtrans-71.4-35.8176.8-69.1171.6000112.2F1088 S1089F1088-L1092 WeakPolarHBondContact O-CG 3.44Å; F1088-L1092 PolarHBondContact O-N 3.01Å; S1089-L1092 PolarHBondContact O-N 3.44Å
1093A94.8Very high93.9Very high37 Ų3784.2 Ų84.231%0.30644%0.438SS..  trans-137.988.9-179.500000110.9S1089 R1090 Q1095 L1096S1089-A1093 PolarHBondContact O-N 3.04Å; R1090-A1093 CarbonylContact O-C 3.02Å; A1093-Q1095 PolarHBondContact O-N 2.97Å; A1093-L1096 HydrophobicContact CB-CB 3.99Å; A1093-L1096 HydrophobicContact CB-CD1 4.34Å; A1093-L1096 VanDerWaalsContact O-CB 3.27Å; A1093-L1096 WeakPolarHBondContact O-CB 3.44Å; A1093-L1096 PolarHBondContact O-N 3.09Å
1094P90.6Very high93.8Very high89 Ų8984.9 Ų84.958%0.57844%0.441SS*.THydrogen-bonded Turntrans-58.8-21.7-174.9-2936.2000115.9R1090R1090-P1094 WeakPolarHBondContact O-CA 3.34Å; R1090-P1094 VanDerWaalsContact O-N 3.07Å
1095Q91.5Very high93.6Very high181 Ų18183 Ų8385%0.84644%0.438SS*.THydrogen-bonded Turntrans-113.728.6-180-64.6-72.1-9.600111.6A1093 P1097A1093-Q1095 PolarHBondContact O-N 2.97Å; Q1095-P1097 VanDerWaalsContact O-CD 3.24Å; Q1095-P1097 WeakPolarHBondContact O-CD 3.27Å; Q1095-P1097 VanDerWaalsContact O-N 3.16Å
1096L91.3Very high93.4Very high66 Ų6685.3 Ų85.335%0.34645%0.446SS..  trans-60.8113.2178.9-175.366.5000110.3W1003 A1093W1003-L1096 HydrophobicContact CB-CD2 4.28Å; W1003-L1096 HydrophobicContact CD2-CD2 3.91Å; W1003-L1096 HydrophobicContact CG-CD2 3.71Å; W1003-L1096 HydrophobicContact CG-CG 4.26Å; W1003-L1096 PolarHBondContact NE1-O 3.47Å; A1093-L1096 HydrophobicContact CB-CB 3.99Å; A1093-L1096 HydrophobicContact CB-CD1 4.34Å; A1093-L1096 VanDerWaalsContact O-CB 3.27Å; A1093-L1096 WeakPolarHBondContact O-CB 3.44Å; A1093-L1096 PolarHBondContact O-N 3.09Å
1097P92.6Very high93.4Very high99 Ų9986.3 Ų86.364%0.64345%0.45SS*.PPolyproline II helixtrans-68.8157.3176.530.7-35.7000110.3W1003 Q1095W1003-P1097 PolarHBondContact NE1-O 3.4Å; Q1095-P1097 VanDerWaalsContact O-CD 3.24Å; Q1095-P1097 WeakPolarHBondContact O-CD 3.27Å; Q1095-P1097 VanDerWaalsContact O-N 3.16Å
1098A93.1Very high93.3Very high62 Ų6284.4 Ų84.451%0.51244%0.439SS..PPolyproline II helixtrans-57.3157168.400000110.8
1099M95.1Very high93.1Very high24 Ų2483.8 Ų83.812%0.11844%0.439CS..PPolyproline II helixtrans-60.4159.7175.272.4-171.3-69.500111.5A1002 T1005 A1008 N1101 L1103 L1104A1002-M1099 HydrophobicContact CB-CG 4.3Å; A1002-M1099 HydrophobicContact CB-SD 4.13Å; A1002-M1099 WeakPolarHBondContact O-CB 3.17Å; A1002-M1099 VanDerWaalsContact O-CG 3.26Å; A1002-M1099 WeakPolarHBondContact O-CG 3.36Å; A1002-M1099 PolarHBondContact O-N 3.14Å; T1005-M1099 HydrophobicContact CG2-CE 4.42Å; A1008-M1099 HydrophobicContact CB-CE 3.9Å; A1008-M1099 HydrophobicContact CB-SD 3.81Å; M1099-N1101 PolarHBondContact O-N 3Å; M1099-L1103 HydrophobicContact CE-CB 3.84Å; M1099-L1103 HydrophobicContact CE-CD2 3.77Å; M1099-L1103 HydrophobicContact CE-CG 3.56Å; M1099-L1104 HydrophobicContact CE-CB 4.43Å; M1099-L1104 HydrophobicContact CG-CB 4.33Å; M1099-L1104 HydrophobicContact SD-CB 4.29Å; M1099-L1104 HydrophobicContact SD-CD1 3.95Å
1100Q94.8Very high92.8Very high138 Ų13883.5 Ų83.565%0.64543%0.431SS*.PPolyproline II helixtrans-60.5134.1176-65.5169.910.400110.2E1102 L1103 L1104Q1100-E1102 PolarHBondContact O-N 3.39Å; Q1100-L1103 HydrophobicContact CB-CB 4.32Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.45Å; Q1100-L1103 PolarHBondContact O-N 3.22Å; Q1100-L1104 PolarHBondContact O-N 2.71Å
1101N94.3Very high92.6Very high114 Ų11480.8 Ų80.861%0.6142%0.422SS*.Hα-helixtrans-58.2-38179.6-77.8-9.7000111.3M1099 L1103 L1104 D1105M1099-N1101 PolarHBondContact O-N 3Å; N1101-L1103 PolarHBondContact O-N 3.02Å; N1101-L1104 WeakPolarHBondContact O-CB 3.46Å; N1101-L1104 PolarHBondContact O-N 3.47Å; N1101-L1104 VanDerWaalsContact O-N 3.09Å; N1101-D1105 WeakPolarHBondContact O-CB 3.34Å; N1101-D1105 PolarHBondContact O-N 2.98Å
1102E94.9Very high92.2Very high137 Ų13778.2 Ų78.264%0.6441%0.41SS*.Hα-helixtrans-60-33.8177.6-5985.8166.800112.1Q1100 K1106Q1100-E1102 PolarHBondContact O-N 3.39Å; E1102-K1106 WeakPolarHBondContact O-CB 3.31Å; E1102-K1106 PolarHBondContact O-N 2.77Å; E1102-K1106 VanDerWaalsContact O-N 3.15Å
1103L94.8Very high91.5Very high69 Ų6971.7 Ų71.736%0.36138%0.38SS..Hα-helixtrans-79.2-35.4176.9-171.563.4000111.6T1005 M1099 Q1100 N1101 K1106 H1107T1005-L1103 HydrophobicContact CG2-CD2 4.3Å; T1005-L1103 HydrophobicContact CG2-CG 4.46Å; M1099-L1103 HydrophobicContact CE-CB 3.84Å; M1099-L1103 HydrophobicContact CE-CD2 3.77Å; M1099-L1103 HydrophobicContact CE-CG 3.56Å; Q1100-L1103 HydrophobicContact CB-CB 4.32Å; Q1100-L1103 WeakPolarHBondContact O-CB 3.45Å; Q1100-L1103 PolarHBondContact O-N 3.22Å; N1101-L1103 PolarHBondContact O-N 3.02Å; L1103-K1106 PolarHBondContact O-N 2.82Å; L1103-H1107 PolarHBondContact O-CD2 2.83Å; L1103-H1107 PolarHBondContact O-N 2.78Å; L1103-H1107 VanDerWaalsContact O-N 3.13Å
1104L95.2Very high90.8Very high13 Ų1378.2 Ų78.27%0.06841%0.409CS..Hα-helixtrans-60-53.5172.6-177.980.8000110A1002 A1008 Y1012 M1099 Q1100 N1101 K1106 H1107 Y1108A1002-L1104 HydrophobicContact CB-CD1 3.9Å; A1008-L1104 HydrophobicContact CB-CD1 3.75Å; Y1012-L1104 HydrophobicContact CD2-CD2 4.07Å; Y1012-L1104 HydrophobicContact CD2-CG 4.05Å; Y1012-L1104 HydrophobicContact CE2-CD2 4.15Å; Y1012-L1104 HydrophobicContact CE2-CG 4.2Å; M1099-L1104 HydrophobicContact CE-CB 4.43Å; M1099-L1104 HydrophobicContact CG-CB 4.33Å; M1099-L1104 HydrophobicContact SD-CB 4.29Å; M1099-L1104 HydrophobicContact SD-CD1 3.95Å; Q1100-L1104 PolarHBondContact O-N 2.71Å; N1101-L1104 WeakPolarHBondContact O-CB 3.46Å; N1101-L1104 PolarHBondContact O-N 3.47Å; N1101-L1104 VanDerWaalsContact O-N 3.09Å; L1104-K1106 VanDerWaalsContact C-N 3.29Å; L1104-K1106 PolarHBondContact O-N 2.91Å; L1104-H1107 PolarHBondContact O-N 3.34Å; L1104-H1107 VanDerWaalsContact O-N 3.15Å; L1104-Y1108 WeakPolarHBondContact O-CB 3.27Å; L1104-Y1108 PolarHBondContact O-N 2.97Å
1105D93.1Very high90.2Very high58 Ų5881 Ų8131%0.3142%0.42SS..Hα-helixtrans-54.7-46.1177.2-65.81.7000111Y1012 N1101 H1107 L1109Y1012-D1105 WeakPolarHBondContact CE2-OD1 3.41Å; Y1012-D1105 PolarHBondContact OH-OD1 3.08Å; N1101-D1105 WeakPolarHBondContact O-CB 3.34Å; N1101-D1105 PolarHBondContact O-N 2.98Å; D1105-H1107 VanDerWaalsContact C-N 3.32Å; D1105-H1107 PolarHBondContact O-N 3.37Å; D1105-L1109 HydrophobicContact CB-CD1 4.15Å; D1105-L1109 WeakPolarHBondContact O-CB 3.35Å; D1105-L1109 VanDerWaalsContact O-CG 3.25Å; D1105-L1109 WeakPolarHBondContact O-CG 3.39Å; D1105-L1109 PolarHBondContact O-N 3.14Å
1106K92.4Very high89.4Confident117 Ų11774.9 Ų74.951%0.50940%0.4SS..Hα-helixtrans-60.9-41.2-179.6-177.461.4-178.6176.30112.5E1102 L1103 L1104 R1110 Y1117E1102-K1106 WeakPolarHBondContact O-CB 3.31Å; E1102-K1106 PolarHBondContact O-N 2.77Å; E1102-K1106 VanDerWaalsContact O-N 3.15Å; L1103-K1106 PolarHBondContact O-N 2.82Å; L1104-K1106 VanDerWaalsContact C-N 3.29Å; L1104-K1106 PolarHBondContact O-N 2.91Å; K1106-R1110 WeakPolarHBondContact O-CB 3.02Å; K1106-R1110 WeakPolarHBondContact O-CD 3.49Å; K1106-R1110 WeakPolarHBondContact O-CG 3.44Å; K1106-Y1117 WeakPolarHBondContact CE-OH 3.05Å; K1106-Y1117 PolarHBondContact NZ-OH 3.03Å
1107H92.4Very high88.9Confident25 Ų2578.7 Ų78.712%0.11641%0.411CS..Hα-helixtrans-79.3-40.5-176.6-90.4-94000113.1T1005 A1008 D1009 L1103 L1104 D1105 R1110T1005-H1107 VanDerWaalsContact CB-CE1 3.41Å; T1005-H1107 WeakPolarHBondContact CB-CE1 3.49Å; T1005-H1107 VanDerWaalsContact CG2-CE1 3.45Å; T1005-H1107 WeakPolarHBondContact CG2-CE1 3.45Å; T1005-H1107 VanDerWaalsContact CG2-NE2 3.31Å; T1005-H1107 WeakPolarHBondContact CG2-NE2 3.43Å; A1008-H1107 HydrophobicContact CB-CB 3.61Å; D1009-H1107 WeakPolarHBondContact OD1-CB 3.25Å; D1009-H1107 IonicContact OD1-CG 2.76Å; D1009-H1107 IonicContact OD1-ND1 3.39Å; D1009-H1107 PolarHBondContact OD1-ND1 3.09Å; D1009-H1107 IonicContact OD2-ND1 3.75Å; L1103-H1107 PolarHBondContact O-CD2 2.83Å; L1103-H1107 PolarHBondContact O-N 2.78Å; L1103-H1107 VanDerWaalsContact O-N 3.13Å; L1104-H1107 PolarHBondContact O-N 3.34Å; L1104-H1107 VanDerWaalsContact O-N 3.15Å; D1105-H1107 VanDerWaalsContact C-N 3.32Å; D1105-H1107 PolarHBondContact O-N 3.37Å; H1107-R1110 VanDerWaalsContact CE1-CZ 3.47Å; H1107-R1110 PolarHBondContact CE1-NH2 3.44Å; H1107-R1110 VanDerWaalsContact CE1-NH2 3.25Å; H1107-R1110 VanDerWaalsContact ND1-CZ 3.33Å; H1107-R1110 PolarHBondContact ND1-NH2 3.49Å; H1107-R1110 WeakPolarHBondContact O-CG 3.28Å
1108Y92.2Very high87.6Confident14 Ų1477.7 Ų77.76%0.05540%0.395CS..Hα-helixtrans-72.4-51.6178.9-170.7-95.1000111.3A1008 Y1012 Q1051 L1104 R1110 K1111 H1112A1008-Y1108 WeakPolarHBondContact O-CA 3.16Å; A1008-Y1108 WeakPolarHBondContact O-CB 3.3Å; A1008-Y1108 WeakPolarHBondContact O-CD2 3.34Å; A1008-Y1108 PolarHBondContact O-N 3.3Å; Y1012-Y1108 HydrophobicContact CD1-CD1 4.34Å; Y1012-Y1108 HydrophobicContact CD1-CE1 4.49Å; Y1012-Y1108 VanDerWaalsContact CD2-CB 3.45Å; Y1012-Y1108 AromaticContact CD2-CD1 3.49Å; Y1012-Y1108 HydrophobicContact CD2-CD1 3.49Å; Y1012-Y1108 VanDerWaalsContact CD2-CD1 3.49Å; Y1012-Y1108 HydrophobicContact CD2-CD2 4.1Å; Y1012-Y1108 HydrophobicContact CD2-CE1 4.31Å; Y1012-Y1108 AromaticContact CD2-CG 3.38Å; Y1012-Y1108 HydrophobicContact CD2-CG 3.38Å; Y1012-Y1108 HydrophobicContact CE2-CD1 4.06Å; Y1012-Y1108 HydrophobicContact CE2-CG 4.18Å; Y1012-Y1108 AromaticContact CG-CD1 3.65Å; Y1012-Y1108 HydrophobicContact CG-CD1 3.65Å; Y1012-Y1108 HydrophobicContact CG-CD2 4.22Å; Y1012-Y1108 HydrophobicContact CG-CE1 4Å; Y1012-Y1108 AromaticContact CG-CG 3.79Å; Y1012-Y1108 HydrophobicContact CG-CG 3.79Å; Q1051-Y1108 VanDerWaalsContact CA-OH 3.28Å; Q1051-Y1108 WeakPolarHBondContact CA-OH 3.32Å; Q1051-Y1108 HydrophobicContact CG-CE1 4.36Å; L1104-Y1108 WeakPolarHBondContact O-CB 3.27Å; L1104-Y1108 PolarHBondContact O-N 2.97Å; Y1108-R1110 VanDerWaalsContact C-N 3.32Å; Y1108-R1110 PolarHBondContact O-N 2.94Å; Y1108-K1111 PolarHBondContact O-N 3.45Å; Y1108-K1111 VanDerWaalsContact O-N 3.1Å; Y1108-H1112 HydrophobicContact CD1-CB 4.31Å; Y1108-H1112 AromaticContact CD2-CD2 3.66Å; Y1108-H1112 HydrophobicContact CE1-CB 3.79Å; Y1108-H1112 HydrophobicContact CE2-CB 4.34Å; Y1108-H1112 AromaticContact CE2-CD2 3.44Å; Y1108-H1112 VanDerWaalsContact CE2-CD2 3.44Å; Y1108-H1112 WeakPolarHBondContact CE2-CD2 3.41Å; Y1108-H1112 AromaticContact CZ-CD2 3.79Å; Y1108-H1112 AromaticContact CZ-CG 3.96Å; Y1108-H1112 PolarHBondContact O-N 3.2Å
1109L90.4Very high86Confident78 Ų7878.5 Ų78.541%0.40841%0.41SS..Hα-helixtrans-71.1-22.9-172.7-60.2173.3000113.7D1105 K1111 G1113D1105-L1109 HydrophobicContact CB-CD1 4.15Å; D1105-L1109 WeakPolarHBondContact O-CB 3.35Å; D1105-L1109 VanDerWaalsContact O-CG 3.25Å; D1105-L1109 WeakPolarHBondContact O-CG 3.39Å; D1105-L1109 PolarHBondContact O-N 3.14Å; L1109-K1111 PolarHBondContact O-N 2.83Å; L1109-G1113 VanDerWaalsContact O-CA 3.3Å; L1109-G1113 WeakPolarHBondContact O-CA 3.48Å; L1109-G1113 PolarHBondContact O-N 3.27Å
1110R87.9Confident83.7Confident39 Ų3986.2 Ų86.215%0.14745%0.445CS..Hα-helixtrans-69.6-20.9173.568-179.2-175.6159.810.5113.2D1009 K1106 H1107 Y1108 A1116 Y1117 Y1118D1009-R1110 IonicContact OD1-CZ 2.72Å; D1009-R1110 IonicContact OD1-NE 3.06Å; D1009-R1110 PolarHBondContact OD1-NE 3.24Å; D1009-R1110 IonicContact OD1-NH2 3.28Å; D1009-R1110 PolarHBondContact OD1-NH2 3.23Å; D1009-R1110 IonicContact OD2-NH2 2.78Å; D1009-R1110 PolarHBondContact OD2-NH2 2.95Å; K1106-R1110 WeakPolarHBondContact O-CB 3.02Å; K1106-R1110 WeakPolarHBondContact O-CD 3.49Å; K1106-R1110 WeakPolarHBondContact O-CG 3.44Å; H1107-R1110 VanDerWaalsContact CE1-CZ 3.47Å; H1107-R1110 PolarHBondContact CE1-NH2 3.44Å; H1107-R1110 VanDerWaalsContact CE1-NH2 3.25Å; H1107-R1110 VanDerWaalsContact ND1-CZ 3.33Å; H1107-R1110 PolarHBondContact ND1-NH2 3.49Å; H1107-R1110 WeakPolarHBondContact O-CG 3.28Å; Y1108-R1110 VanDerWaalsContact C-N 3.32Å; Y1108-R1110 PolarHBondContact O-N 2.94Å; R1110-A1116 CarbonylContact O-C 3.55Å; R1110-A1116 VanDerWaalsContact O-CA 3.28Å; R1110-A1116 WeakPolarHBondContact O-CA 3.36Å; R1110-Y1117 HydrophobicContact CB-CD1 4.06Å; R1110-Y1117 HydrophobicContact CB-CE1 3.4Å; R1110-Y1117 VanDerWaalsContact CB-CE1 3.4Å; R1110-Y1117 HydrophobicContact CB-CE2 4.37Å; R1110-Y1117 PolarHBondContact O-N 3.05Å; R1110-Y1118 WeakPolarHBondContact O-CB 3.24Å; R1110-Y1118 PolarHBondContact O-N 3.27Å
1111K85.9Confident83.2Confident41 Ų4183.6 Ų83.618%0.17844%0.435CS..Hα-helixtrans-106.8-36.5-178-168.1174-176.9173.60112Y1108 L1109 A1116 Q1120Y1108-K1111 PolarHBondContact O-N 3.45Å; Y1108-K1111 VanDerWaalsContact O-N 3.1Å; L1109-K1111 PolarHBondContact O-N 2.83Å; K1111-A1116 VanDerWaalsContact O-CB 3.27Å; K1111-A1116 WeakPolarHBondContact O-CB 3.41Å; K1111-Q1120 WeakPolarHBondContact CE-O 3.43Å; K1111-Q1120 PolarHBondContact NZ-O 2.79Å
1112H85.3Confident82.6Confident87 Ų8782 Ų8240%0.40343%0.426SS..Hα-helixtrans-121.9-4.4-171.8-53.5-67.9000114.8D1009 Y1108D1009-H1112 PolarHBondContact O-NE2 3.13Å; Y1108-H1112 HydrophobicContact CD1-CB 4.31Å; Y1108-H1112 AromaticContact CD2-CD2 3.66Å; Y1108-H1112 HydrophobicContact CE1-CB 3.79Å; Y1108-H1112 HydrophobicContact CE2-CB 4.34Å; Y1108-H1112 AromaticContact CE2-CD2 3.44Å; Y1108-H1112 VanDerWaalsContact CE2-CD2 3.44Å; Y1108-H1112 WeakPolarHBondContact CE2-CD2 3.41Å; Y1108-H1112 AromaticContact CZ-CD2 3.79Å; Y1108-H1112 AromaticContact CZ-CG 3.96Å; Y1108-H1112 PolarHBondContact O-N 3.2Å
1113G79.6Confident81.9Confident17 Ų1778.9 Ų78.918%0.17541%0.414CS..SBendtrans-81167.417900000113L1109 N1115 A1116L1109-G1113 VanDerWaalsContact O-CA 3.3Å; L1109-G1113 WeakPolarHBondContact O-CA 3.48Å; L1109-G1113 PolarHBondContact O-N 3.27Å; G1113-N1115 PolarHBondContact O-N 3.12Å; G1113-A1116 VanDerWaalsContact O-CB 3.29Å; G1113-A1116 WeakPolarHBondContact O-CB 3.49Å; G1113-A1116 PolarHBondContact O-N 2.74Å
1114D78.8Confident81.1Confident174 Ų17479.5 Ų79.593%0.9342%0.417SS*.THydrogen-bonded Turntrans-55-23.5-179.1-58-24.5000114.1
1115N78.3Confident80.2Confident149 Ų14983.7 Ų83.780%0.79744%0.439SS*.THydrogen-bonded Turntrans-113.834.5176.4-63.6-51.3000112.3G1113 Y1117G1113-N1115 PolarHBondContact O-N 3.12Å; N1115-Y1117 PolarHBondContact O-N 2.69Å
1116A75.6Confident79.4Confident52 Ų5285.4 Ų85.443%0.4345%0.447SS..  trans-54.3129.7178.100000110.9R1110 K1111 G1113R1110-A1116 CarbonylContact O-C 3.55Å; R1110-A1116 VanDerWaalsContact O-CA 3.28Å; R1110-A1116 WeakPolarHBondContact O-CA 3.36Å; K1111-A1116 VanDerWaalsContact O-CB 3.27Å; K1111-A1116 WeakPolarHBondContact O-CB 3.41Å; G1113-A1116 VanDerWaalsContact O-CB 3.29Å; G1113-A1116 WeakPolarHBondContact O-CB 3.49Å; G1113-A1116 PolarHBondContact O-N 2.74Å
1117Y80.7Confident78.5Confident145 Ų14583.1 Ų83.157%0.56944%0.443SS*.  trans-127.5-1.7-177.766.5-94.4000112.7K1106 R1110 N1115K1106-Y1117 WeakPolarHBondContact CE-OH 3.05Å; K1106-Y1117 PolarHBondContact NZ-OH 3.03Å; R1110-Y1117 HydrophobicContact CB-CD1 4.06Å; R1110-Y1117 HydrophobicContact CB-CE1 3.4Å; R1110-Y1117 VanDerWaalsContact CB-CE1 3.4Å; R1110-Y1117 HydrophobicContact CB-CE2 4.37Å; R1110-Y1117 PolarHBondContact O-N 3.05Å; N1115-Y1117 PolarHBondContact O-N 2.69Å
1118Y65Low77.4Confident78 Ų7887.6 Ų87.631%0.30647%0.468SS..  trans-118.2121.2-173.7-165.6-103.2000109.7R1110 Q1120R1110-Y1118 WeakPolarHBondContact O-CB 3.24Å; R1110-Y1118 PolarHBondContact O-N 3.27Å; Y1118-Q1120 HydrophobicContact CE1-CB 4Å; Y1118-Q1120 HydrophobicContact CE1-CG 4.45Å; Y1118-Q1120 PolarHBondContact OH-OE1 2.69Å
1119G59.7Low76.2Confident80 Ų8093.8 Ų93.883%0.82550%0.503SS*.  trans-12423.8-167.200000116.1
1120Q46.8Very low74.9Confident185 Ų18595.2 Ų95.286%0.86451%0.511SS*.  trans-72.80171.1-80.1-167.54.900112.3K1111 Y1118K1111-Q1120 WeakPolarHBondContact CE-O 3.43Å; K1111-Q1120 PolarHBondContact NZ-O 2.79Å; Y1118-Q1120 HydrophobicContact CE1-CB 4Å; Y1118-Q1120 HydrophobicContact CE1-CG 4.45Å; Y1118-Q1120 PolarHBondContact OH-OE1 2.69Å

Retrieved 1,120 of 1,120 residues in 385.9 ms (Link to these results)

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